data_27326 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Yes1 SH2 domain in complex with Cdc37-derived phosphopeptide ; _BMRB_accession_number 27326 _BMRB_flat_file_name bmr27326.str _Entry_type original _Submission_date 2017-12-03 _Accession_date 2017-12-03 _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 Bachman Ashleigh . . 2 Keramisanou Dimitra . . 3 'Kumar M. V.' Vasantha . . 4 Gelis Ioannis . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 107 "13C chemical shifts" 204 "15N chemical shifts" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-22 update BMRB 'update entry citation' 2018-01-16 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27325 'Yes1-SH2 (SH2 domain of Yes1 kinase)' 27327 'Yes1-SH3 (Yes1 kinase SH3 domain)' stop_ _Original_release_date 2017-12-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Phosphorylation induced cochaperone unfolding promotes kinase recruitment and client class-specific Hsp90 phosphorylation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29343704 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bachman Ashleigh B. . 2 Keramisanou Dimitra . . 3 Xu Wanping . . 4 Beebe Kristin . . 5 Moses Michael A. . 6 'Vasantha Kumar' M V. . 7 Gray Geoffrey . . 8 Noor 'Radwan Ebna' E. . 9 'van der Vaart' Arjan . . 10 Neckers Len . . 11 Gelis Ioannis . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 9 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 265 _Page_last 265 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Yes1-SH2 (Yes1 SH2 domain in complex with Cdc37-derived phosphopeptide)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH2 domain' $Yes1-SH2 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_Yes1-SH2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Yes1-SH2 _Molecular_mass . _Mol_thiol_state 'all free' _Details 'Yes1-SH2 in complex with Cdc37-derived phosphopeptide' ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; SIQAEEWYFGKMGRKDAERL LLNPGNQRGIFLVRESETTK GAYSLSIRDWDEIRGDNVKH YKIRKLDNGGYYITTRAQFD TLQKLVKHYTEHADGLCHKL TTVCPTVKPQG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 152 SER 2 153 ILE 3 154 GLN 4 155 ALA 5 156 GLU 6 157 GLU 7 158 TRP 8 159 TYR 9 160 PHE 10 161 GLY 11 162 LYS 12 163 MET 13 164 GLY 14 165 ARG 15 166 LYS 16 167 ASP 17 168 ALA 18 169 GLU 19 170 ARG 20 171 LEU 21 172 LEU 22 173 LEU 23 174 ASN 24 175 PRO 25 176 GLY 26 177 ASN 27 178 GLN 28 179 ARG 29 180 GLY 30 181 ILE 31 182 PHE 32 183 LEU 33 184 VAL 34 185 ARG 35 186 GLU 36 187 SER 37 188 GLU 38 189 THR 39 190 THR 40 191 LYS 41 192 GLY 42 193 ALA 43 194 TYR 44 195 SER 45 196 LEU 46 197 SER 47 198 ILE 48 199 ARG 49 200 ASP 50 201 TRP 51 202 ASP 52 203 GLU 53 204 ILE 54 205 ARG 55 206 GLY 56 207 ASP 57 208 ASN 58 209 VAL 59 210 LYS 60 211 HIS 61 212 TYR 62 213 LYS 63 214 ILE 64 215 ARG 65 216 LYS 66 217 LEU 67 218 ASP 68 219 ASN 69 220 GLY 70 221 GLY 71 222 TYR 72 223 TYR 73 224 ILE 74 225 THR 75 226 THR 76 227 ARG 77 228 ALA 78 229 GLN 79 230 PHE 80 231 ASP 81 232 THR 82 233 LEU 83 234 GLN 84 235 LYS 85 236 LEU 86 237 VAL 87 238 LYS 88 239 HIS 89 240 TYR 90 241 THR 91 242 GLU 92 243 HIS 93 244 ALA 94 245 ASP 95 246 GLY 96 247 LEU 97 248 CYS 98 249 HIS 99 250 LYS 100 251 LEU 101 252 THR 102 253 THR 103 254 VAL 104 255 CYS 105 256 PRO 106 257 THR 107 258 VAL 108 259 LYS 109 260 PRO 110 261 GLN 111 263 GLY 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 $Yes1-SH2 Human 9606 Eukaryota Metazoa Homo sapiens 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 $Yes1-SH2 'recombinant technology' . Escherichia coli . pGEX6P1 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 $Yes1-SH2 0.5 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model 'direct drive' _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_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _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' 0.1 . M pH 7.5 . pH pressure 1 . atm temperature 273 . 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 water H 1 protons ppm 4.7 internal direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '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 'SH2 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 1 152 1 SER H H 8.391 . . 2 152 1 SER CA C 58.535 . . 3 152 1 SER CB C 63.784 . . 4 152 1 SER N N 117.838 . . 5 153 2 ILE H H 8.145 . . 6 153 2 ILE CA C 62.294 . . 7 153 2 ILE CB C 38.349 . . 8 153 2 ILE N N 122.178 . . 9 154 3 GLN H H 7.834 . . 10 154 3 GLN CA C 57.169 . . 11 154 3 GLN CB C 28.393 . . 12 154 3 GLN N N 118.942 . . 13 155 4 ALA H H 7.722 . . 14 155 4 ALA CA C 51.960 . . 15 155 4 ALA CB C 19.317 . . 16 155 4 ALA N N 121.130 . . 17 156 5 GLU H H 7.532 . . 18 156 5 GLU CA C 55.424 . . 19 156 5 GLU CB C 28.093 . . 20 156 5 GLU N N 118.761 . . 21 157 6 GLU H H 9.002 . . 22 157 6 GLU CA C 58.701 . . 23 157 6 GLU CB C 29.795 . . 24 157 6 GLU N N 122.653 . . 25 158 7 TRP H H 6.197 . . 26 158 7 TRP CA C 53.513 . . 27 158 7 TRP CB C 30.640 . . 28 158 7 TRP N N 108.709 . . 29 159 8 TYR H H 7.501 . . 30 159 8 TYR CA C 58.759 . . 31 159 8 TYR CB C 38.325 . . 32 159 8 TYR N N 121.749 . . 33 160 9 PHE H H 9.424 . . 34 160 9 PHE CA C 57.097 . . 35 160 9 PHE CB C 38.815 . . 36 160 9 PHE N N 129.568 . . 37 161 10 GLY H H 5.511 . . 38 161 10 GLY CA C 47.409 . . 39 161 10 GLY N N 103.801 . . 40 162 11 LYS H H 8.652 . . 41 162 11 LYS CA C 56.824 . . 42 162 11 LYS CB C 31.339 . . 43 162 11 LYS N N 126.395 . . 44 163 12 MET H H 7.704 . . 45 163 12 MET CA C 56.096 . . 46 163 12 MET CB C 35.707 . . 47 163 12 MET N N 126.996 . . 48 164 13 GLY H H 9.052 . . 49 164 13 GLY CA C 44.951 . . 50 164 13 GLY N N 114.482 . . 51 165 14 ARG H H 8.652 . . 52 165 14 ARG CA C 60.522 . . 53 165 14 ARG CB C 31.203 . . 54 165 14 ARG N N 121.674 . . 55 166 15 LYS H H 8.702 . . 56 166 15 LYS CA C 59.523 . . 57 166 15 LYS CB C 31.244 . . 58 166 15 LYS N N 117.752 . . 59 167 16 ASP H H 7.966 . . 60 167 16 ASP CA C 57.291 . . 61 167 16 ASP CB C 40.445 . . 62 167 16 ASP N N 120.351 . . 63 168 17 ALA H H 8.152 . . 64 168 17 ALA CA C 55.187 . . 65 168 17 ALA CB C 18.702 . . 66 168 17 ALA N N 122.252 . . 67 169 18 GLU H H 8.438 . . 68 169 18 GLU CA C 60.642 . . 69 169 18 GLU CB C 28.673 . . 70 169 18 GLU N N 115.799 . . 71 170 19 ARG H H 7.791 . . 72 170 19 ARG CA C 59.333 . . 73 170 19 ARG CB C 30.012 . . 74 170 19 ARG N N 117.288 . . 75 171 20 LEU H H 7.469 . . 76 171 20 LEU CA C 57.595 . . 77 171 20 LEU CB C 42.531 . . 78 171 20 LEU N N 117.859 . . 79 172 21 LEU H H 8.246 . . 80 172 21 LEU CA C 57.880 . . 81 172 21 LEU CB C 43.216 . . 82 172 21 LEU N N 119.194 . . 83 173 22 LEU H H 8.113 . . 84 173 22 LEU CA C 55.529 . . 85 173 22 LEU CB C 40.332 . . 86 173 22 LEU N N 117.562 . . 87 174 23 ASN H H 6.949 . . 88 174 23 ASN CA C 52.873 . . 89 174 23 ASN CB C 38.712 . . 90 174 23 ASN N N 121.976 . . 91 175 24 PRO CA C 64.031 . . 92 176 25 GLY H H 8.704 . . 93 176 25 GLY CA C 45.074 . . 94 176 25 GLY N N 109.320 . . 95 177 26 ASN H H 7.181 . . 96 177 26 ASN CA C 52.438 . . 97 177 26 ASN CB C 39.634 . . 98 177 26 ASN N N 117.909 . . 99 178 27 GLN H H 7.873 . . 100 178 27 GLN CA C 54.458 . . 101 178 27 GLN N N 119.183 . . 102 179 28 ARG H H 8.145 . . 103 179 28 ARG CA C 57.786 . . 104 179 28 ARG CB C 31.004 . . 105 179 28 ARG N N 118.262 . . 106 180 29 GLY H H 8.814 . . 107 180 29 GLY CA C 45.943 . . 108 180 29 GLY N N 112.187 . . 109 181 30 ILE H H 7.181 . . 110 181 30 ILE CA C 61.573 . . 111 181 30 ILE N N 117.940 . . 112 182 31 PHE H H 7.633 . . 113 182 31 PHE CA C 55.732 . . 114 182 31 PHE N N 117.902 . . 115 183 32 LEU H H 8.765 . . 116 183 32 LEU CA C 54.908 . . 117 183 32 LEU CB C 45.182 . . 118 183 32 LEU N N 113.713 . . 119 184 33 VAL H H 9.072 . . 120 184 33 VAL CA C 61.091 . . 121 184 33 VAL CB C 33.939 . . 122 184 33 VAL N N 120.309 . . 123 185 34 ARG H H 9.204 . . 124 185 34 ARG CA C 52.960 . . 125 185 34 ARG CB C 33.928 . . 126 185 34 ARG N N 123.364 . . 127 186 35 GLU H H 8.826 . . 128 186 35 GLU CA C 58.184 . . 129 186 35 GLU CB C 30.434 . . 130 186 35 GLU N N 121.688 . . 131 187 36 SER H H 7.800 . . 132 187 36 SER CA C 57.229 . . 133 187 36 SER CB C 64.220 . . 134 187 36 SER N N 115.575 . . 135 188 37 GLU CA C 58.336 . . 136 189 38 THR H H 8.274 . . 137 189 38 THR CA C 63.943 . . 138 189 38 THR CB C 69.582 . . 139 189 38 THR N N 110.827 . . 140 190 39 THR H H 7.774 . . 141 190 39 THR CA C 61.165 . . 142 190 39 THR CB C 70.440 . . 143 190 39 THR N N 119.575 . . 144 191 40 LYS H H 8.535 . . 145 191 40 LYS CA C 57.670 . . 146 191 40 LYS CB C 31.624 . . 147 191 40 LYS N N 128.110 . . 148 192 41 GLY H H 8.830 . . 149 192 41 GLY CA C 45.595 . . 150 192 41 GLY N N 114.388 . . 151 193 42 ALA H H 7.585 . . 152 193 42 ALA CA C 49.860 . . 153 193 42 ALA CB C 20.181 . . 154 193 42 ALA N N 121.123 . . 155 194 43 TYR H H 9.019 . . 156 194 43 TYR CA C 56.837 . . 157 194 43 TYR CB C 42.398 . . 158 194 43 TYR N N 117.871 . . 159 195 44 SER H H 9.828 . . 160 195 44 SER CA C 56.861 . . 161 195 44 SER CB C 65.346 . . 162 195 44 SER N N 116.134 . . 163 196 45 LEU H H 9.685 . . 164 196 45 LEU CA C 53.735 . . 165 196 45 LEU CB C 44.220 . . 166 196 45 LEU N N 130.472 . . 167 197 46 SER H H 9.080 . . 168 197 46 SER CA C 58.843 . . 169 197 46 SER CB C 65.160 . . 170 197 46 SER N N 125.962 . . 171 198 47 ILE H H 9.014 . . 172 198 47 ILE CA C 59.784 . . 173 198 47 ILE CB C 44.022 . . 174 198 47 ILE N N 122.654 . . 175 199 48 ARG H H 8.877 . . 176 199 48 ARG CA C 56.704 . . 177 199 48 ARG CB C 31.808 . . 178 199 48 ARG N N 126.906 . . 179 200 49 ASP H H 9.523 . . 180 200 49 ASP CA C 52.395 . . 181 200 49 ASP CB C 46.011 . . 182 200 49 ASP N N 130.127 . . 183 201 50 TRP H H 8.194 . . 184 201 50 TRP CA C 58.453 . . 185 201 50 TRP CB C 32.608 . . 186 201 50 TRP N N 121.400 . . 187 202 51 ASP H H 6.519 . . 188 202 51 ASP CA C 53.828 . . 189 202 51 ASP CB C 44.159 . . 190 202 51 ASP N N 121.320 . . 191 203 52 GLU H H 8.410 . . 192 203 52 GLU CA C 58.520 . . 193 203 52 GLU CB C 29.559 . . 194 203 52 GLU N N 116.125 . . 195 204 53 ILE H H 8.294 . . 196 204 53 ILE CA C 62.429 . . 197 204 53 ILE CB C 38.038 . . 198 204 53 ILE N N 120.212 . . 199 205 54 ARG H H 9.089 . . 200 205 54 ARG CA C 56.603 . . 201 205 54 ARG CB C 31.412 . . 202 205 54 ARG N N 119.571 . . 203 206 55 GLY H H 7.513 . . 204 206 55 GLY CA C 44.863 . . 205 206 55 GLY N N 108.388 . . 206 207 56 ASP H H 8.630 . . 207 207 56 ASP CA C 55.823 . . 208 207 56 ASP CB C 41.843 . . 209 207 56 ASP N N 124.917 . . 210 208 57 ASN H H 8.578 . . 211 208 57 ASN CA C 52.971 . . 212 208 57 ASN CB C 41.722 . . 213 208 57 ASN N N 118.467 . . 214 209 58 VAL H H 8.720 . . 215 209 58 VAL CA C 60.606 . . 216 209 58 VAL CB C 34.346 . . 217 209 58 VAL N N 121.069 . . 218 210 59 LYS H H 8.555 . . 219 210 59 LYS CA C 54.510 . . 220 210 59 LYS CB C 36.869 . . 221 210 59 LYS N N 126.789 . . 222 211 60 HIS H H 8.551 . . 223 211 60 HIS CA C 54.321 . . 224 211 60 HIS CB C 33.892 . . 225 211 60 HIS N N 119.534 . . 226 212 61 TYR H H 9.703 . . 227 212 61 TYR CA C 56.953 . . 228 212 61 TYR CB C 41.107 . . 229 212 61 TYR N N 122.013 . . 230 213 62 LYS H H 9.540 . . 231 213 62 LYS CA C 56.301 . . 232 213 62 LYS CB C 32.418 . . 233 213 62 LYS N N 125.647 . . 234 214 63 ILE H H 9.224 . . 235 214 63 ILE CA C 60.321 . . 236 214 63 ILE CB C 39.579 . . 237 214 63 ILE N N 128.299 . . 238 215 64 ARG H H 8.283 . . 239 215 64 ARG CA C 54.058 . . 240 215 64 ARG CB C 33.686 . . 241 215 64 ARG N N 126.407 . . 242 216 65 LYS H H 8.429 . . 243 216 65 LYS CA C 54.191 . . 244 216 65 LYS CB C 35.311 . . 245 216 65 LYS N N 119.459 . . 246 217 66 LEU H H 8.689 . . 247 217 66 LEU CA C 54.524 . . 248 217 66 LEU CB C 43.054 . . 249 217 66 LEU N N 130.056 . . 250 218 67 ASP H H 8.850 . . 251 218 67 ASP CA C 56.941 . . 252 218 67 ASP CB C 40.177 . . 253 218 67 ASP N N 124.850 . . 254 219 68 ASN H H 8.352 . . 255 219 68 ASN CA C 52.923 . . 256 219 68 ASN CB C 37.956 . . 257 219 68 ASN N N 116.349 . . 258 220 69 GLY H H 7.473 . . 259 220 69 GLY CA C 45.591 . . 260 220 69 GLY N N 107.711 . . 261 221 70 GLY H H 8.262 . . 262 221 70 GLY CA C 44.457 . . 263 221 70 GLY N N 109.510 . . 264 222 71 TYR H H 9.378 . . 265 222 71 TYR CA C 57.832 . . 266 222 71 TYR CB C 41.487 . . 267 222 71 TYR N N 117.903 . . 268 223 72 TYR H H 9.225 . . 269 223 72 TYR CA C 57.965 . . 270 223 72 TYR CB C 40.971 . . 271 223 72 TYR N N 116.589 . . 272 224 73 ILE H H 10.187 . . 273 224 73 ILE CA C 63.227 . . 274 224 73 ILE CB C 39.832 . . 275 224 73 ILE N N 120.904 . . 276 225 74 THR H H 8.818 . . 277 225 74 THR CA C 58.079 . . 278 225 74 THR CB C 69.724 . . 279 225 74 THR N N 115.324 . . 280 226 75 THR H H 8.995 . . 281 226 75 THR CA C 65.311 . . 282 226 75 THR CB C 68.592 . . 283 226 75 THR N N 120.251 . . 284 227 76 ARG H H 7.756 . . 285 227 76 ARG CA C 57.258 . . 286 227 76 ARG CB C 29.890 . . 287 227 76 ARG N N 117.779 . . 288 228 77 ALA H H 7.955 . . 289 228 77 ALA CA C 51.520 . . 290 228 77 ALA CB C 19.270 . . 291 228 77 ALA N N 125.988 . . 292 229 78 GLN H H 7.830 . . 293 229 78 GLN CA C 53.464 . . 294 229 78 GLN CB C 31.310 . . 295 229 78 GLN N N 120.155 . . 296 230 79 PHE H H 9.246 . . 297 230 79 PHE CA C 57.070 . . 298 230 79 PHE CB C 44.501 . . 299 230 79 PHE N N 118.065 . . 300 231 80 ASP H H 9.296 . . 301 231 80 ASP CA C 56.987 . . 302 231 80 ASP CB C 41.314 . . 303 231 80 ASP N N 120.379 . . 304 232 81 THR H H 7.285 . . 305 232 81 THR CA C 58.418 . . 306 232 81 THR CB C 72.959 . . 307 232 81 THR N N 103.445 . . 308 233 82 LEU H H 8.779 . . 309 233 82 LEU CA C 57.097 . . 310 233 82 LEU CB C 41.915 . . 311 233 82 LEU N N 123.044 . . 312 234 83 GLN H H 9.164 . . 313 234 83 GLN CA C 60.828 . . 314 234 83 GLN CB C 27.453 . . 315 234 83 GLN N N 118.117 . . 316 235 84 LYS H H 7.934 . . 317 235 84 LYS CA C 59.570 . . 318 235 84 LYS CB C 33.211 . . 319 235 84 LYS N N 119.255 . . 320 236 85 LEU H H 7.118 . . 321 236 85 LEU CA C 59.331 . . 322 236 85 LEU CB C 41.403 . . 323 236 85 LEU N N 123.948 . . 324 237 86 VAL H H 7.982 . . 325 237 86 VAL CA C 66.899 . . 326 237 86 VAL CB C 31.433 . . 327 237 86 VAL N N 119.607 . . 328 238 87 LYS H H 7.887 . . 329 238 87 LYS CA C 59.361 . . 330 238 87 LYS CB C 32.346 . . 331 238 87 LYS N N 119.152 . . 332 239 88 HIS H H 7.683 . . 333 239 88 HIS CA C 60.214 . . 334 239 88 HIS CB C 29.264 . . 335 239 88 HIS N N 117.971 . . 336 240 89 TYR H H 7.312 . . 337 240 89 TYR CA C 60.148 . . 338 240 89 TYR CB C 37.722 . . 339 240 89 TYR N N 115.371 . . 340 241 90 THR H H 7.460 . . 341 241 90 THR CA C 64.106 . . 342 241 90 THR CB C 69.521 . . 343 241 90 THR N N 114.189 . . 344 242 91 GLU H H 7.059 . . 345 242 91 GLU CA C 57.434 . . 346 242 91 GLU CB C 30.779 . . 347 242 91 GLU N N 119.905 . . 348 243 92 HIS H H 7.818 . . 349 243 92 HIS CA C 54.049 . . 350 243 92 HIS CB C 31.915 . . 351 243 92 HIS N N 115.654 . . 352 244 93 ALA H H 8.650 . . 353 244 93 ALA CA C 55.803 . . 354 244 93 ALA CB C 17.829 . . 355 244 93 ALA N N 123.918 . . 356 245 94 ASP H H 8.376 . . 357 245 94 ASP CA C 54.268 . . 358 245 94 ASP N N 111.519 . . 359 246 95 GLY H H 8.231 . . 360 246 95 GLY CA C 45.041 . . 361 246 95 GLY N N 104.317 . . 362 247 96 LEU H H 8.060 . . 363 247 96 LEU CA C 55.091 . . 364 247 96 LEU CB C 42.997 . . 365 247 96 LEU N N 119.478 . . 366 248 97 CYS H H 7.419 . . 367 248 97 CYS CA C 58.425 . . 368 248 97 CYS CB C 28.021 . . 369 248 97 CYS N N 115.759 . . 370 249 98 HIS H H 7.236 . . 371 249 98 HIS CA C 55.885 . . 372 249 98 HIS CB C 31.532 . . 373 249 98 HIS N N 118.554 . . 374 250 99 LYS H H 8.079 . . 375 250 99 LYS CA C 57.008 . . 376 250 99 LYS CB C 32.486 . . 377 250 99 LYS N N 120.731 . . 378 251 100 LEU H H 8.203 . . 379 251 100 LEU CA C 54.789 . . 380 251 100 LEU CB C 38.766 . . 381 251 100 LEU N N 123.765 . . 382 252 101 THR H H 8.243 . . 383 252 101 THR CA C 60.438 . . 384 252 101 THR CB C 68.622 . . 385 252 101 THR N N 113.505 . . 386 253 102 THR H H 8.482 . . 387 253 102 THR CA C 59.967 . . 388 253 102 THR CB C 71.238 . . 389 253 102 THR N N 114.751 . . 390 254 103 VAL H H 8.123 . . 391 254 103 VAL CA C 62.054 . . 392 254 103 VAL CB C 32.115 . . 393 254 103 VAL N N 120.107 . . 394 255 104 CYS H H 8.270 . . 395 255 104 CYS CA C 57.785 . . 396 255 104 CYS CB C 28.434 . . 397 255 104 CYS N N 127.927 . . 398 256 105 PRO CA C 63.325 . . 399 257 106 THR H H 8.132 . . 400 257 106 THR CA C 61.235 . . 401 257 106 THR CB C 70.306 . . 402 257 106 THR N N 113.591 . . 403 258 107 VAL H H 7.944 . . 404 258 107 VAL CA C 61.967 . . 405 258 107 VAL CB C 33.215 . . 406 258 107 VAL N N 121.068 . . 407 259 108 LYS H H 8.429 . . 408 259 108 LYS CA C 54.220 . . 409 259 108 LYS CB C 32.581 . . 410 259 108 LYS N N 126.905 . . 411 260 109 PRO CA C 63.058 . . 412 260 109 PRO CB C 32.095 . . 413 261 110 GLN H H 8.497 . . 414 261 110 GLN CA C 56.172 . . 415 261 110 GLN CB C 29.630 . . 416 261 110 GLN N N 120.524 . . 417 262 111 GLY H H 8.412 . . 418 262 111 GLY N N 109.937 . . stop_ save_