data_50079 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C assignment of BRCA2 190-284 ; _BMRB_accession_number 50079 _BMRB_flat_file_name bmr50079.str _Entry_type original _Submission_date 2019-10-23 _Accession_date 2019-10-23 _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 Julien Manon H.F. . 2 Miron Simona . . 3 Carreira Aura . . 4 Theillet Francois-Xavier . . 5 Zinn-Justin Sophie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 86 "13C chemical shifts" 269 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-04-21 update BMRB 'update entry citation' 2019-10-29 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 50077 'BRCA2 48-218(C4A)' 50078 'BRCA2 53-131' stop_ _Original_release_date 2019-10-23 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N backbone resonance assignment of the human BRCA2 N-terminal region ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31900740 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Julien Manon . . 2 Miron Simona . . 3 Carreira Aura . . 4 Theillet Francois-Xavier . . 5 Zinn-Justin Sophie . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 14 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 79 _Page_last 85 _Year 2020 _Details . loop_ _Keyword BRCA2 NMR 'breast cancer' 'intrinsically disordered protein' mitosis phosphorylation stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'BRCA2 190-284' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BRCA2 190-284' $entity_1 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 96 _Mol_residue_sequence ; GPDMSWSSSLATPPTLSSTV LIVRNEEASETVFPHDTTAN VKSYFSNHDESLKKNDRFIA SVTDSENTNQREAASHGFGK TSGNSFKVNSCKDHIG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 189 GLY 2 190 PRO 3 191 ASP 4 192 MET 5 193 SER 6 194 TRP 7 195 SER 8 196 SER 9 197 SER 10 198 LEU 11 199 ALA 12 200 THR 13 201 PRO 14 202 PRO 15 203 THR 16 204 LEU 17 205 SER 18 206 SER 19 207 THR 20 208 VAL 21 209 LEU 22 210 ILE 23 211 VAL 24 212 ARG 25 213 ASN 26 214 GLU 27 215 GLU 28 216 ALA 29 217 SER 30 218 GLU 31 219 THR 32 220 VAL 33 221 PHE 34 222 PRO 35 223 HIS 36 224 ASP 37 225 THR 38 226 THR 39 227 ALA 40 228 ASN 41 229 VAL 42 230 LYS 43 231 SER 44 232 TYR 45 233 PHE 46 234 SER 47 235 ASN 48 236 HIS 49 237 ASP 50 238 GLU 51 239 SER 52 240 LEU 53 241 LYS 54 242 LYS 55 243 ASN 56 244 ASP 57 245 ARG 58 246 PHE 59 247 ILE 60 248 ALA 61 249 SER 62 250 VAL 63 251 THR 64 252 ASP 65 253 SER 66 254 GLU 67 255 ASN 68 256 THR 69 257 ASN 70 258 GLN 71 259 ARG 72 260 GLU 73 261 ALA 74 262 ALA 75 263 SER 76 264 HIS 77 265 GLY 78 266 PHE 79 267 GLY 80 268 LYS 81 269 THR 82 270 SER 83 271 GLY 84 272 ASN 85 273 SER 86 274 PHE 87 275 LYS 88 276 VAL 89 277 ASN 90 278 SER 91 279 CYS 92 280 LYS 93 281 ASP 94 282 HIS 95 283 ILE 96 284 GLY 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 P51587 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21 plasmid pGEX-6P-1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.4 mM '[U-95% 13C; U-95% 15N]' HEPES 50 mM 'natural abundance' EDTA 1 mM 'natural abundance' DTT 2 mM 'natural abundance' D2O 10 % 'natural abundance' DSS 50 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CcpNMR _Version 2.4 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . CCPN . . stop_ loop_ _Task 'chemical shift assignment' collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details '600 MHz Bruker Advance II' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '50 mM HEPES, 1 mM EDTA, 2 mM DTT, pH7.0, 10 % D2O, 50 uM DSS' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 7.0 . pH pressure 1 . atm temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.244 internal indirect . . . . DSS H 1 'methyl protons' ppm 0.22 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.244 internal indirect . . . . 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D HN(CO)CA' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'BRCA2 190-284' _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 2 PRO CA C 62.823 . 1 2 190 2 PRO CB C 32.112 . 1 3 191 3 ASP H H 8.339 . 1 4 191 3 ASP C C 176.556 . 1 5 191 3 ASP CA C 54.878 . 1 6 191 3 ASP CB C 40.709 . 1 7 191 3 ASP N N 120.559 . 1 8 192 4 MET H H 8.308 . 1 9 192 4 MET C C 176.558 . 1 10 192 4 MET CA C 59.033 . 1 11 192 4 MET CB C 31.899 . 1 12 192 4 MET N N 122.130 . 1 13 193 5 SER H H 8.248 . 1 14 193 5 SER C C 174.351 . 1 15 193 5 SER CA C 57.453 . 1 16 193 5 SER CB C 63.424 . 1 17 193 5 SER N N 117.151 . 1 18 194 6 TRP H H 7.898 . 1 19 194 6 TRP C C 176.222 . 1 20 194 6 TRP CA C 59.053 . 1 21 194 6 TRP CB C 29.123 . 1 22 194 6 TRP N N 122.539 . 1 23 195 7 SER H H 7.656 . 1 24 195 7 SER C C 174.308 . 1 25 195 7 SER CA C 58.502 . 1 26 195 7 SER CB C 63.511 . 1 27 195 7 SER N N 116.939 . 1 28 196 8 SER H H 8.000 . 1 29 196 8 SER C C 174.626 . 1 30 196 8 SER CA C 58.510 . 1 31 196 8 SER CB C 63.469 . 1 32 196 8 SER N N 117.693 . 1 33 197 9 SER H H 8.062 . 1 34 197 9 SER C C 174.273 . 1 35 197 9 SER CA C 58.550 . 1 36 197 9 SER CB C 63.471 . 1 37 197 9 SER N N 117.526 . 1 38 198 10 LEU H H 7.873 . 1 39 198 10 LEU C C 176.835 . 1 40 198 10 LEU CA C 54.907 . 1 41 198 10 LEU CB C 42.071 . 1 42 198 10 LEU N N 123.389 . 1 43 199 11 ALA H H 8.006 . 1 44 199 11 ALA C C 177.355 . 1 45 199 11 ALA CA C 52.207 . 1 46 199 11 ALA CB C 19.068 . 1 47 199 11 ALA N N 124.424 . 1 48 200 12 THR H H 7.957 . 1 49 200 12 THR C C 172.166 . 1 50 200 12 THR CA C 59.634 . 1 51 200 12 THR CB C 69.583 . 1 52 200 12 THR N N 116.381 . 1 53 202 14 PRO C C 176.776 . 1 54 202 14 PRO CA C 62.810 . 1 55 202 14 PRO CB C 31.863 . 1 56 203 15 THR H H 8.095 . 1 57 203 15 THR C C 174.434 . 1 58 203 15 THR CA C 61.676 . 1 59 203 15 THR CB C 69.653 . 1 60 203 15 THR N N 114.833 . 1 61 204 16 LEU H H 8.217 . 1 62 204 16 LEU C C 177.229 . 1 63 204 16 LEU CA C 54.919 . 1 64 204 16 LEU CB C 42.171 . 1 65 204 16 LEU N N 125.147 . 1 66 205 17 SER H H 8.218 . 1 67 205 17 SER C C 174.462 . 1 68 205 17 SER CA C 58.236 . 1 69 205 17 SER CB C 63.564 . 1 70 205 17 SER N N 116.826 . 1 71 206 18 SER H H 8.199 . 1 72 206 18 SER C C 174.577 . 1 73 206 18 SER CA C 58.073 . 1 74 206 18 SER CB C 63.614 . 1 75 206 18 SER N N 117.679 . 1 76 207 19 THR H H 8.035 . 1 77 207 19 THR C C 174.171 . 1 78 207 19 THR CA C 62.108 . 1 79 207 19 THR CB C 69.436 . 1 80 207 19 THR N N 116.475 . 1 81 208 20 VAL H H 7.917 . 1 82 208 20 VAL C C 175.479 . 1 83 208 20 VAL CA C 62.175 . 1 84 208 20 VAL CB C 32.475 . 1 85 208 20 VAL N N 123.286 . 1 86 209 21 LEU H H 8.145 . 1 87 209 21 LEU C C 176.522 . 1 88 209 21 LEU CA C 54.750 . 1 89 209 21 LEU CB C 42.154 . 1 90 209 21 LEU N N 126.827 . 1 91 210 22 ILE H H 8.049 . 1 92 210 22 ILE C C 175.748 . 1 93 210 22 ILE CA C 60.554 . 1 94 210 22 ILE CB C 38.302 . 1 95 210 22 ILE N N 123.958 . 1 96 211 23 VAL H H 8.186 . 1 97 211 23 VAL C C 175.624 . 1 98 211 23 VAL CA C 62.096 . 1 99 211 23 VAL CB C 32.536 . 1 100 211 23 VAL N N 126.451 . 1 101 212 24 ARG H H 8.371 . 1 102 212 24 ARG C C 175.532 . 1 103 212 24 ARG CA C 55.592 . 1 104 212 24 ARG CB C 30.810 . 1 105 212 24 ARG N N 126.043 . 1 106 213 25 ASN H H 8.431 . 1 107 213 25 ASN C C 175.092 . 1 108 213 25 ASN CA C 53.138 . 1 109 213 25 ASN CB C 38.686 . 1 110 213 25 ASN N N 121.160 . 1 111 214 26 GLU H H 8.455 . 1 112 214 26 GLU C C 176.330 . 1 113 214 26 GLU CA C 56.604 . 1 114 214 26 GLU CB C 29.892 . 1 115 214 26 GLU N N 121.756 . 1 116 215 27 GLU H H 8.248 . 1 117 215 27 GLU C C 176.185 . 1 118 215 27 GLU CA C 56.404 . 1 119 215 27 GLU CB C 29.981 . 1 120 215 27 GLU N N 121.550 . 1 121 216 28 ALA H H 8.169 . 1 122 216 28 ALA C C 177.615 . 1 123 216 28 ALA CA C 52.372 . 1 124 216 28 ALA CB C 18.948 . 1 125 216 28 ALA N N 125.053 . 1 126 217 29 SER H H 8.148 . 1 127 217 29 SER CA C 58.321 . 1 128 217 29 SER CB C 63.630 . 1 129 217 29 SER N N 115.319 . 1 130 218 30 GLU H H 8.304 . 1 131 218 30 GLU C C 176.301 . 1 132 218 30 GLU CA C 56.412 . 1 133 218 30 GLU CB C 30.090 . 1 134 218 30 GLU N N 122.521 . 1 135 219 31 THR H H 8.057 . 1 136 219 31 THR C C 173.757 . 1 137 219 31 THR CA C 62.107 . 1 138 219 31 THR CB C 69.409 . 1 139 219 31 THR N N 116.174 . 1 140 220 32 VAL H H 7.916 . 1 141 220 32 VAL C C 175.172 . 1 142 220 32 VAL CA C 62.006 . 1 143 220 32 VAL CB C 32.560 . 1 144 220 32 VAL N N 123.397 . 1 145 221 33 PHE H H 8.270 . 1 146 221 33 PHE C C 173.601 . 1 147 221 33 PHE CA C 55.337 . 1 148 221 33 PHE CB C 38.818 . 1 149 221 33 PHE N N 125.409 . 1 150 223 35 HIS H H 8.176 . 1 151 223 35 HIS C C 176.347 . 1 152 223 35 HIS CA C 56.458 . 1 153 223 35 HIS CB C 29.952 . 1 154 223 35 HIS N N 119.036 . 1 155 224 36 ASP H H 8.250 . 1 156 224 36 ASP C C 176.514 . 1 157 224 36 ASP CA C 54.039 . 1 158 224 36 ASP CB C 41.011 . 1 159 224 36 ASP N N 121.560 . 1 160 225 37 THR H H 8.166 . 1 161 225 37 THR C C 174.978 . 1 162 225 37 THR CA C 61.969 . 1 163 225 37 THR CB C 69.380 . 1 164 225 37 THR N N 114.893 . 1 165 226 38 THR H H 8.103 . 1 166 226 38 THR C C 174.435 . 1 167 226 38 THR CA C 62.347 . 1 168 226 38 THR CB C 69.404 . 1 169 226 38 THR N N 115.896 . 1 170 227 39 ALA H H 8.019 . 1 171 227 39 ALA C C 177.253 . 1 172 227 39 ALA CA C 52.567 . 1 173 227 39 ALA CB C 18.957 . 1 174 227 39 ALA N N 125.587 . 1 175 228 40 ASN H H 8.171 . 1 176 228 40 ASN C C 175.086 . 1 177 228 40 ASN CA C 53.090 . 1 178 228 40 ASN CB C 38.482 . 1 179 228 40 ASN N N 117.830 . 1 180 229 41 VAL H H 7.872 . 1 181 229 41 VAL C C 176.065 . 1 182 229 41 VAL CA C 62.468 . 1 183 229 41 VAL CB C 32.387 . 1 184 229 41 VAL N N 120.428 . 1 185 230 42 LYS C C 174.581 . 1 186 230 42 LYS CB C 32.822 . 1 187 231 43 SER H H 8.046 . 1 188 231 43 SER C C 173.858 . 1 189 231 43 SER CA C 58.088 . 1 190 231 43 SER CB C 63.689 . 1 191 231 43 SER N N 116.621 . 1 192 232 44 TYR H H 7.976 . 1 193 232 44 TYR C C 175.242 . 1 194 232 44 TYR N N 122.089 . 1 195 233 45 PHE H H 7.944 . 1 196 233 45 PHE C C 175.261 . 1 197 233 45 PHE CA C 57.607 . 1 198 233 45 PHE CB C 39.608 . 1 199 233 45 PHE N N 121.202 . 1 200 234 46 SER H H 8.021 . 1 201 234 46 SER C C 173.888 . 1 202 234 46 SER CA C 58.037 . 1 203 234 46 SER CB C 63.688 . 1 204 234 46 SER N N 117.115 . 1 205 235 47 ASN H H 8.202 . 1 206 235 47 ASN C C 174.985 . 1 207 235 47 ASN CA C 53.203 . 1 208 235 47 ASN CB C 38.492 . 1 209 235 47 ASN N N 120.476 . 1 210 236 48 HIS C C 174.395 . 1 211 236 48 HIS CA C 56.715 . 1 212 236 48 HIS CB C 28.870 . 1 213 237 49 ASP H H 8.117 . 1 214 237 49 ASP C C 176.710 . 1 215 237 49 ASP CA C 54.446 . 1 216 237 49 ASP CB C 40.728 . 1 217 237 49 ASP N N 121.206 . 1 218 238 50 GLU H H 8.415 . 1 219 238 50 GLU C C 177.017 . 1 220 238 50 GLU CA C 57.193 . 1 221 238 50 GLU CB C 29.586 . 1 222 238 50 GLU N N 122.511 . 1 223 239 51 SER H H 8.199 . 1 224 239 51 SER C C 174.800 . 1 225 239 51 SER CA C 59.384 . 1 226 239 51 SER CB C 63.285 . 1 227 239 51 SER N N 116.074 . 1 228 240 52 LEU H H 7.741 . 1 229 240 52 LEU C C 177.376 . 1 230 240 52 LEU CA C 55.311 . 1 231 240 52 LEU CB C 41.837 . 1 232 240 52 LEU N N 122.749 . 1 233 241 53 LYS H H 7.892 . 1 234 241 53 LYS C C 176.539 . 1 235 241 53 LYS CA C 56.292 . 1 236 241 53 LYS CB C 32.668 . 1 237 241 53 LYS N N 121.198 . 1 238 242 54 LYS H H 8.068 . 1 239 242 54 LYS C C 176.288 . 1 240 242 54 LYS CA C 56.291 . 1 241 242 54 LYS CB C 32.742 . 1 242 242 54 LYS N N 121.922 . 1 243 243 55 ASN H H 8.287 . 1 244 243 55 ASN C C 174.843 . 1 245 243 55 ASN CA C 53.119 . 1 246 243 55 ASN CB C 38.650 . 1 247 243 55 ASN N N 119.647 . 1 248 244 56 ASP H H 8.111 . 1 249 244 56 ASP C C 176.073 . 1 250 244 56 ASP CA C 54.452 . 1 251 244 56 ASP CB C 40.850 . 1 252 244 56 ASP N N 120.953 . 1 253 245 57 ARG H H 7.958 . 1 254 245 57 ARG C C 175.786 . 1 255 245 57 ARG CA C 56.059 . 1 256 245 57 ARG CB C 30.381 . 1 257 245 57 ARG N N 120.166 . 1 258 246 58 PHE C C 175.255 . 1 259 246 58 PHE CA C 57.877 . 1 260 246 58 PHE CB C 39.245 . 1 261 246 58 PHE N N 121.267 . 1 262 247 59 ILE H H 7.792 . 1 263 247 59 ILE C C 175.235 . 1 264 247 59 ILE CA C 60.546 . 1 265 247 59 ILE CB C 38.601 . 1 266 247 59 ILE N N 124.175 . 1 267 248 60 ALA H H 8.134 . 1 268 248 60 ALA C C 177.470 . 1 269 248 60 ALA CA C 52.355 . 1 270 248 60 ALA CB C 19.002 . 1 271 248 60 ALA N N 128.289 . 1 272 249 61 SER H H 8.158 . 1 273 249 61 SER C C 174.606 . 1 274 249 61 SER CA C 58.182 . 1 275 249 61 SER CB C 63.653 . 1 276 249 61 SER N N 115.501 . 1 277 250 62 VAL H H 8.099 . 1 278 250 62 VAL C C 176.402 . 1 279 250 62 VAL CA C 62.365 . 1 280 250 62 VAL CB C 32.513 . 1 281 250 62 VAL N N 121.936 . 1 282 251 63 THR H H 8.055 . 1 283 251 63 THR C C 174.283 . 1 284 251 63 THR CA C 61.920 . 1 285 251 63 THR CB C 69.589 . 1 286 251 63 THR N N 117.010 . 1 287 252 64 ASP H H 8.176 . 1 288 252 64 ASP C C 176.431 . 1 289 252 64 ASP CA C 54.487 . 1 290 252 64 ASP CB C 40.913 . 1 291 252 64 ASP N N 122.935 . 1 292 253 65 SER H H 8.134 . 1 293 253 65 SER C C 174.741 . 1 294 253 65 SER CA C 58.949 . 1 295 253 65 SER CB C 63.474 . 1 296 253 65 SER N N 116.124 . 1 297 254 66 GLU H H 8.248 . 1 298 254 66 GLU C C 176.378 . 1 299 254 66 GLU CA C 56.845 . 1 300 254 66 GLU CB C 29.812 . 1 301 254 66 GLU N N 121.965 . 1 302 255 67 ASN H H 8.178 . 1 303 255 67 ASN C C 175.661 . 1 304 255 67 ASN CA C 53.324 . 1 305 255 67 ASN CB C 38.523 . 1 306 255 67 ASN N N 119.034 . 1 307 256 68 THR H H 8.010 . 1 308 256 68 THR C C 174.658 . 1 309 256 68 THR CA C 62.748 . 1 310 256 68 THR CB C 69.221 . 1 311 256 68 THR N N 114.495 . 1 312 257 69 ASN H H 8.305 . 1 313 257 69 ASN C C 175.521 . 1 314 257 69 ASN CA C 53.706 . 1 315 257 69 ASN CB C 38.331 . 1 316 257 69 ASN N N 120.505 . 1 317 258 70 GLN H H 8.162 . 1 318 258 70 GLN C C 176.332 . 1 319 258 70 GLN CA C 56.477 . 1 320 258 70 GLN CB C 28.742 . 1 321 258 70 GLN N N 120.427 . 1 322 259 71 ARG H H 8.108 . 1 323 259 71 ARG C C 176.857 . 1 324 259 71 ARG CA C 56.754 . 1 325 259 71 ARG CB C 30.332 . 1 326 259 71 ARG N N 121.422 . 1 327 260 72 GLU H H 8.210 . 1 328 260 72 GLU C C 176.691 . 1 329 260 72 GLU CA C 56.896 . 1 330 260 72 GLU CB C 29.822 . 1 331 260 72 GLU N N 121.242 . 1 332 261 73 ALA H H 8.098 . 1 333 261 73 ALA C C 177.974 . 1 334 261 73 ALA CA C 52.948 . 1 335 261 73 ALA CB C 18.735 . 1 336 261 73 ALA N N 124.530 . 1 337 262 74 ALA C C 178.010 . 1 338 262 74 ALA CA C 52.695 . 1 339 262 74 ALA CB C 18.774 . 1 340 262 74 ALA N N 122.187 . 1 341 263 75 SER H H 7.939 . 1 342 263 75 SER C C 174.434 . 1 343 263 75 SER CA C 58.487 . 1 344 263 75 SER CB C 63.651 . 1 345 263 75 SER N N 114.163 . 1 346 264 76 HIS H H 8.067 . 1 347 264 76 HIS C C 173.768 . 1 348 264 76 HIS CA C 55.580 . 1 349 264 76 HIS CB C 29.432 . 1 350 264 76 HIS N N 119.963 . 1 351 265 77 GLY H H 8.093 . 1 352 265 77 GLY C C 174.967 . 1 353 265 77 GLY CA C 45.017 . 1 354 265 77 GLY N N 109.084 . 1 355 266 78 PHE H H 8.159 . 1 356 266 78 PHE C C 175.235 . 1 357 266 78 PHE CA C 53.056 . 1 358 266 78 PHE CB C 38.806 . 1 359 266 78 PHE N N 118.549 . 1 360 267 79 GLY H H 8.281 . 1 361 267 79 GLY C C 173.902 . 1 362 267 79 GLY CA C 45.144 . 1 363 267 79 GLY N N 110.561 . 1 364 268 80 LYS H H 8.047 . 1 365 268 80 LYS C C 176.931 . 1 366 268 80 LYS CA C 56.328 . 1 367 268 80 LYS CB C 32.898 . 1 368 268 80 LYS N N 120.791 . 1 369 269 81 THR H H 8.109 . 1 370 269 81 THR C C 174.353 . 1 371 269 81 THR CA C 61.575 . 1 372 269 81 THR CB C 69.702 . 1 373 269 81 THR N N 114.562 . 1 374 270 82 SER H H 8.189 . 1 375 270 82 SER C C 174.828 . 1 376 270 82 SER CB C 63.762 . 1 377 270 82 SER N N 117.683 . 1 378 271 83 GLY H H 8.279 . 1 379 271 83 GLY C C 173.826 . 1 380 271 83 GLY CA C 45.260 . 1 381 271 83 GLY N N 110.574 . 1 382 272 84 ASN H H 8.157 . 1 383 272 84 ASN C C 175.235 . 1 384 272 84 ASN CA C 53.039 . 1 385 272 84 ASN CB C 38.828 . 1 386 272 84 ASN N N 118.560 . 1 387 273 85 SER H H 8.101 . 1 388 273 85 SER C C 173.913 . 1 389 273 85 SER CA C 58.398 . 1 390 273 85 SER CB C 63.509 . 1 391 273 85 SER N N 116.067 . 1 392 274 86 PHE H H 8.005 . 1 393 274 86 PHE C C 175.292 . 1 394 274 86 PHE CA C 57.624 . 1 395 274 86 PHE CB C 39.198 . 1 396 274 86 PHE N N 121.725 . 1 397 275 87 LYS H H 7.961 . 1 398 275 87 LYS C C 175.992 . 1 399 275 87 LYS CA C 55.904 . 1 400 275 87 LYS CB C 32.961 . 1 401 275 87 LYS N N 123.172 . 1 402 276 88 VAL H H 8.012 . 1 403 276 88 VAL C C 175.775 . 1 404 276 88 VAL CA C 62.291 . 1 405 276 88 VAL CB C 32.534 . 1 406 276 88 VAL N N 121.729 . 1 407 277 89 ASN H H 8.417 . 1 408 277 89 ASN C C 175.109 . 1 409 277 89 ASN CA C 53.071 . 1 410 277 89 ASN CB C 38.642 . 1 411 277 89 ASN N N 122.512 . 1 412 278 90 SER H H 8.189 . 1 413 278 90 SER C C 174.467 . 1 414 278 90 SER CA C 58.281 . 1 415 278 90 SER CB C 63.557 . 1 416 278 90 SER N N 116.737 . 1 417 279 91 CYS C C 174.648 . 1 418 279 91 CYS CA C 58.817 . 1 419 279 91 CYS CB C 27.745 . 1 420 280 92 LYS H H 8.251 . 1 421 280 92 LYS C C 176.062 . 1 422 280 92 LYS CA C 56.427 . 1 423 280 92 LYS CB C 32.559 . 1 424 280 92 LYS N N 123.605 . 1 425 281 93 ASP H H 8.039 . 1 426 281 93 ASP C C 175.477 . 1 427 281 93 ASP CA C 54.424 . 1 428 281 93 ASP CB C 40.895 . 1 429 281 93 ASP N N 120.455 . 1 430 282 94 HIS H H 8.069 . 1 431 282 94 HIS C C 174.152 . 1 432 282 94 HIS CA C 55.497 . 1 433 282 94 HIS CB C 29.328 . 1 434 282 94 HIS N N 118.647 . 1 435 283 95 ILE H H 8.022 . 1 436 283 95 ILE C C 175.473 . 1 437 283 95 ILE CA C 61.031 . 1 438 283 95 ILE CB C 38.654 . 1 439 283 95 ILE N N 123.153 . 1 440 284 96 GLY H H 7.925 . 1 441 284 96 GLY C C 178.789 . 1 442 284 96 GLY CA C 45.846 . 1 443 284 96 GLY N N 119.070 . 1 stop_ save_