data_36795 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36795 _Entry.Title ; Hsp90a N-terminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-10-16 _Entry.Accession_date 2025-10-16 _Entry.Last_release_date 2026-02-05 _Entry.Original_release_date 2026-02-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 C. Wan C. J. . . 36795 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID chaperone . 36795 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36795 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 112 36795 '1H chemical shifts' 336 36795 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-02-12 . original BMRB . 36795 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36796 'Hsp90a T36E N-terminal domain' 36795 BMRB 36797 'the closed-form Hsp90a NTD' 36795 BMRB 36798 'closed-form Hsp90a T36E N-terminal domain' 36795 BMRB 36799 'Hsp90a T115E N-terminal domain' 36795 PDB 9X6X 'BMRB Entry Tracking System' 36795 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36795 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Phosphorylation regulates Hsp90's ATPase activity ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Wan C. J. . . 36795 1 2 C. Huang C. D. . . 36795 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36795 _Assembly.ID 1 _Assembly.Name 'Heat shock protein HSP 90-alpha (E.C.3.6.4.10)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 26730.887 _Assembly.Enzyme_commission_number 3.6.4.10 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . ; Heat shock 86 kDa,HSP 86,HSP86,Heat shock protein family C member 1,Lipopolysaccharide-associated protein 2,LAP-2,LPS-associated protein 2,Renal carcinoma antigen NY-REN-38 ; . 36795 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 MET 1 . A 1 MET . start . . 36795 1 . 1 1 10 GLN 10 . A 10 GLN . middle . . 36795 1 . 1 1 100 LYS 100 . A 100 LYS . middle . . 36795 1 . 1 1 101 ALA 101 . A 101 ALA . middle . . 36795 1 . 1 1 102 ASP 102 . A 102 ASP . middle . . 36795 1 . 1 1 103 LEU 103 . A 103 LEU . middle . . 36795 1 . 1 1 104 ILE 104 . A 104 ILE . middle . . 36795 1 . 1 1 105 ASN 105 . A 105 ASN . middle . . 36795 1 . 1 1 106 ASN 106 . A 106 ASN . middle . . 36795 1 . 1 1 107 LEU 107 . A 107 LEU . middle . . 36795 1 . 1 1 108 GLY 108 . A 108 GLY . middle no . 36795 1 . 1 1 109 THR 109 . A 109 THR . middle . . 36795 1 . 1 1 11 PRO 11 . A 11 PRO . middle no . 36795 1 . 1 1 110 ILE 110 . A 110 ILE . middle . . 36795 1 . 1 1 111 ALA 111 . A 111 ALA . middle . . 36795 1 . 1 1 112 LYS 112 . A 112 LYS . middle . . 36795 1 . 1 1 113 SER 113 . A 113 SER . middle . . 36795 1 . 1 1 114 GLY 114 . A 114 GLY . middle no . 36795 1 . 1 1 115 THR 115 . A 115 THR . middle . . 36795 1 . 1 1 116 LYS 116 . A 116 LYS . middle . . 36795 1 . 1 1 117 ALA 117 . A 117 ALA . middle . . 36795 1 . 1 1 118 PHE 118 . A 118 PHE . middle . . 36795 1 . 1 1 119 MET 119 . A 119 MET . middle . . 36795 1 . 1 1 12 MET 12 . A 12 MET . middle . . 36795 1 . 1 1 120 GLU 120 . A 120 GLU . middle . . 36795 1 . 1 1 121 ALA 121 . A 121 ALA . middle . . 36795 1 . 1 1 122 LEU 122 . A 122 LEU . middle . . 36795 1 . 1 1 123 GLN 123 . A 123 GLN . middle . . 36795 1 . 1 1 124 ALA 124 . A 124 ALA . middle . . 36795 1 . 1 1 125 GLY 125 . A 125 GLY . middle no . 36795 1 . 1 1 126 ALA 126 . A 126 ALA . middle . . 36795 1 . 1 1 127 ASP 127 . A 127 ASP . middle . . 36795 1 . 1 1 128 ILE 128 . A 128 ILE . middle . . 36795 1 . 1 1 129 SER 129 . A 129 SER . middle . . 36795 1 . 1 1 13 GLU 13 . A 13 GLU . middle . . 36795 1 . 1 1 130 MET 130 . A 130 MET . middle . . 36795 1 . 1 1 131 ILE 131 . A 131 ILE . middle . . 36795 1 . 1 1 132 GLY 132 . A 132 GLY . middle no . 36795 1 . 1 1 133 GLN 133 . A 133 GLN . middle . . 36795 1 . 1 1 134 PHE 134 . A 134 PHE . middle . . 36795 1 . 1 1 135 GLY 135 . A 135 GLY . middle no . 36795 1 . 1 1 136 VAL 136 . A 136 VAL . middle . . 36795 1 . 1 1 137 GLY 137 . A 137 GLY . middle no . 36795 1 . 1 1 138 PHE 138 . A 138 PHE . middle . . 36795 1 . 1 1 139 TYR 139 . A 139 TYR . middle . . 36795 1 . 1 1 14 GLU 14 . A 14 GLU . middle . . 36795 1 . 1 1 140 SER 140 . A 140 SER . middle . . 36795 1 . 1 1 141 ALA 141 . A 141 ALA . middle . . 36795 1 . 1 1 142 TYR 142 . A 142 TYR . middle . . 36795 1 . 1 1 143 LEU 143 . A 143 LEU . middle . . 36795 1 . 1 1 144 VAL 144 . A 144 VAL . middle . . 36795 1 . 1 1 145 ALA 145 . A 145 ALA . middle . . 36795 1 . 1 1 146 GLU 146 . A 146 GLU . middle . . 36795 1 . 1 1 147 LYS 147 . A 147 LYS . middle . . 36795 1 . 1 1 148 VAL 148 . A 148 VAL . middle . . 36795 1 . 1 1 149 THR 149 . A 149 THR . middle . . 36795 1 . 1 1 15 GLU 15 . A 15 GLU . middle . . 36795 1 . 1 1 150 VAL 150 . A 150 VAL . middle . . 36795 1 . 1 1 151 ILE 151 . A 151 ILE . middle . . 36795 1 . 1 1 152 THR 152 . A 152 THR . middle . . 36795 1 . 1 1 153 LYS 153 . A 153 LYS . middle . . 36795 1 . 1 1 154 HIS 154 . A 154 HIS . middle . . 36795 1 . 1 1 155 ASN 155 . A 155 ASN . middle . . 36795 1 . 1 1 156 ASP 156 . A 156 ASP . middle . . 36795 1 . 1 1 157 ASP 157 . A 157 ASP . middle . . 36795 1 . 1 1 158 GLU 158 . A 158 GLU . middle . . 36795 1 . 1 1 159 GLN 159 . A 159 GLN . middle . . 36795 1 . 1 1 16 GLU 16 . A 16 GLU . middle . . 36795 1 . 1 1 160 TYR 160 . A 160 TYR . middle . . 36795 1 . 1 1 161 ALA 161 . A 161 ALA . middle . . 36795 1 . 1 1 162 TRP 162 . A 162 TRP . middle . . 36795 1 . 1 1 163 GLU 163 . A 163 GLU . middle . . 36795 1 . 1 1 164 SER 164 . A 164 SER . middle . . 36795 1 . 1 1 165 SER 165 . A 165 SER . middle . . 36795 1 . 1 1 166 ALA 166 . A 166 ALA . middle . . 36795 1 . 1 1 167 GLY 167 . A 167 GLY . middle no . 36795 1 . 1 1 168 GLY 168 . A 168 GLY . middle no . 36795 1 . 1 1 169 SER 169 . A 169 SER . middle . . 36795 1 . 1 1 17 VAL 17 . A 17 VAL . middle . . 36795 1 . 1 1 170 PHE 170 . A 170 PHE . middle . . 36795 1 . 1 1 171 THR 171 . A 171 THR . middle . . 36795 1 . 1 1 172 VAL 172 . A 172 VAL . middle . . 36795 1 . 1 1 173 ARG 173 . A 173 ARG . middle . . 36795 1 . 1 1 174 THR 174 . A 174 THR . middle . . 36795 1 . 1 1 175 ASP 175 . A 175 ASP . middle . . 36795 1 . 1 1 176 THR 176 . A 176 THR . middle . . 36795 1 . 1 1 177 GLY 177 . A 177 GLY . middle no . 36795 1 . 1 1 178 GLU 178 . A 178 GLU . middle . . 36795 1 . 1 1 179 PRO 179 . A 179 PRO . middle no . 36795 1 . 1 1 18 GLU 18 . A 18 GLU . middle . . 36795 1 . 1 1 180 MET 180 . A 180 MET . middle . . 36795 1 . 1 1 181 GLY 181 . A 181 GLY . middle no . 36795 1 . 1 1 182 ARG 182 . A 182 ARG . middle . . 36795 1 . 1 1 183 GLY 183 . A 183 GLY . middle no . 36795 1 . 1 1 184 THR 184 . A 184 THR . middle . . 36795 1 . 1 1 185 LYS 185 . A 185 LYS . middle . . 36795 1 . 1 1 186 VAL 186 . A 186 VAL . middle . . 36795 1 . 1 1 187 ILE 187 . A 187 ILE . middle . . 36795 1 . 1 1 188 LEU 188 . A 188 LEU . middle . . 36795 1 . 1 1 189 HIS 189 . A 189 HIS . middle . . 36795 1 . 1 1 19 THR 19 . A 19 THR . middle . . 36795 1 . 1 1 190 LEU 190 . A 190 LEU . middle . . 36795 1 . 1 1 191 LYS 191 . A 191 LYS . middle . . 36795 1 . 1 1 192 GLU 192 . A 192 GLU . middle . . 36795 1 . 1 1 193 ASP 193 . A 193 ASP . middle . . 36795 1 . 1 1 194 GLN 194 . A 194 GLN . middle . . 36795 1 . 1 1 195 THR 195 . A 195 THR . middle . . 36795 1 . 1 1 196 GLU 196 . A 196 GLU . middle . . 36795 1 . 1 1 197 TYR 197 . A 197 TYR . middle . . 36795 1 . 1 1 198 LEU 198 . A 198 LEU . middle . . 36795 1 . 1 1 199 GLU 199 . A 199 GLU . middle . . 36795 1 . 1 1 2 PRO 2 . A 2 PRO . middle no . 36795 1 . 1 1 20 PHE 20 . A 20 PHE . middle . . 36795 1 . 1 1 200 GLU 200 . A 200 GLU . middle . . 36795 1 . 1 1 201 ARG 201 . A 201 ARG . middle . . 36795 1 . 1 1 202 ARG 202 . A 202 ARG . middle . . 36795 1 . 1 1 203 ILE 203 . A 203 ILE . middle . . 36795 1 . 1 1 204 LYS 204 . A 204 LYS . middle . . 36795 1 . 1 1 205 GLU 205 . A 205 GLU . middle . . 36795 1 . 1 1 206 ILE 206 . A 206 ILE . middle . . 36795 1 . 1 1 207 VAL 207 . A 207 VAL . middle . . 36795 1 . 1 1 208 LYS 208 . A 208 LYS . middle . . 36795 1 . 1 1 209 LYS 209 . A 209 LYS . middle . . 36795 1 . 1 1 21 ALA 21 . A 21 ALA . middle . . 36795 1 . 1 1 210 HIS 210 . A 210 HIS . middle . . 36795 1 . 1 1 211 SER 211 . A 211 SER . middle . . 36795 1 . 1 1 212 GLN 212 . A 212 GLN . middle . . 36795 1 . 1 1 213 PHE 213 . A 213 PHE . middle . . 36795 1 . 1 1 214 ILE 214 . A 214 ILE . middle . . 36795 1 . 1 1 215 GLY 215 . A 215 GLY . middle no . 36795 1 . 1 1 216 TYR 216 . A 216 TYR . middle . . 36795 1 . 1 1 217 PRO 217 . A 217 PRO . middle no . 36795 1 . 1 1 218 ILE 218 . A 218 ILE . middle . . 36795 1 . 1 1 219 THR 219 . A 219 THR . middle . . 36795 1 . 1 1 22 PHE 22 . A 22 PHE . middle . . 36795 1 . 1 1 220 LEU 220 . A 220 LEU . middle . . 36795 1 . 1 1 221 PHE 221 . A 221 PHE . middle . . 36795 1 . 1 1 222 VAL 222 . A 222 VAL . middle . . 36795 1 . 1 1 223 GLU 223 . A 223 GLU . middle . . 36795 1 . 1 1 224 LYS 224 . A 224 LYS . middle . . 36795 1 . 1 1 225 GLU 225 . A 225 GLU . middle . . 36795 1 . 1 1 226 ARG 226 . A 226 ARG . middle . . 36795 1 . 1 1 227 ASP 227 . A 227 ASP . middle . . 36795 1 . 1 1 228 LYS 228 . A 228 LYS . middle . . 36795 1 . 1 1 229 GLU 229 . A 229 GLU . middle . . 36795 1 . 1 1 23 GLN 23 . A 23 GLN . middle . . 36795 1 . 1 1 230 VAL 230 . A 230 VAL . middle . . 36795 1 . 1 1 231 SER 231 . A 231 SER . middle . . 36795 1 . 1 1 232 ASP 232 . A 232 ASP . middle . . 36795 1 . 1 1 233 ASP 233 . A 233 ASP . middle . . 36795 1 . 1 1 234 GLU 234 . A 234 GLU . middle . . 36795 1 . 1 1 235 ALA 235 . A 235 ALA . middle . . 36795 1 . 1 1 236 GLU 236 . A 236 GLU . middle . . 36795 1 . 1 1 237 GLU 237 . A 237 GLU . end . . 36795 1 . 1 1 24 ALA 24 . A 24 ALA . middle . . 36795 1 . 1 1 25 GLU 25 . A 25 GLU . middle . . 36795 1 . 1 1 26 ILE 26 . A 26 ILE . middle . . 36795 1 . 1 1 27 ALA 27 . A 27 ALA . middle . . 36795 1 . 1 1 28 GLN 28 . A 28 GLN . middle . . 36795 1 . 1 1 29 LEU 29 . A 29 LEU . middle . . 36795 1 . 1 1 3 GLU 3 . A 3 GLU . middle . . 36795 1 . 1 1 30 MET 30 . A 30 MET . middle . . 36795 1 . 1 1 31 SER 31 . A 31 SER . middle . . 36795 1 . 1 1 32 LEU 32 . A 32 LEU . middle . . 36795 1 . 1 1 33 ILE 33 . A 33 ILE . middle . . 36795 1 . 1 1 34 ILE 34 . A 34 ILE . middle . . 36795 1 . 1 1 35 ASN 35 . A 35 ASN . middle . . 36795 1 . 1 1 36 THR 36 . A 36 THR . middle . . 36795 1 . 1 1 37 PHE 37 . A 37 PHE . middle . . 36795 1 . 1 1 38 TYR 38 . A 38 TYR . middle . . 36795 1 . 1 1 39 SER 39 . A 39 SER . middle . . 36795 1 . 1 1 4 GLU 4 . A 4 GLU . middle . . 36795 1 . 1 1 40 ASN 40 . A 40 ASN . middle . . 36795 1 . 1 1 41 LYS 41 . A 41 LYS . middle . . 36795 1 . 1 1 42 GLU 42 . A 42 GLU . middle . . 36795 1 . 1 1 43 ILE 43 . A 43 ILE . middle . . 36795 1 . 1 1 44 PHE 44 . A 44 PHE . middle . . 36795 1 . 1 1 45 LEU 45 . A 45 LEU . middle . . 36795 1 . 1 1 46 ARG 46 . A 46 ARG . middle . . 36795 1 . 1 1 47 GLU 47 . A 47 GLU . middle . . 36795 1 . 1 1 48 LEU 48 . A 48 LEU . middle . . 36795 1 . 1 1 49 ILE 49 . A 49 ILE . middle . . 36795 1 . 1 1 5 THR 5 . A 5 THR . middle . . 36795 1 . 1 1 50 SER 50 . A 50 SER . middle . . 36795 1 . 1 1 51 ASN 51 . A 51 ASN . middle . . 36795 1 . 1 1 52 SER 52 . A 52 SER . middle . . 36795 1 . 1 1 53 SER 53 . A 53 SER . middle . . 36795 1 . 1 1 54 ASP 54 . A 54 ASP . middle . . 36795 1 . 1 1 55 ALA 55 . A 55 ALA . middle . . 36795 1 . 1 1 56 LEU 56 . A 56 LEU . middle . . 36795 1 . 1 1 57 ASP 57 . A 57 ASP . middle . . 36795 1 . 1 1 58 LYS 58 . A 58 LYS . middle . . 36795 1 . 1 1 59 ILE 59 . A 59 ILE . middle . . 36795 1 . 1 1 6 GLN 6 . A 6 GLN . middle . . 36795 1 . 1 1 60 ARG 60 . A 60 ARG . middle . . 36795 1 . 1 1 61 TYR 61 . A 61 TYR . middle . . 36795 1 . 1 1 62 GLU 62 . A 62 GLU . middle . . 36795 1 . 1 1 63 SER 63 . A 63 SER . middle . . 36795 1 . 1 1 64 LEU 64 . A 64 LEU . middle . . 36795 1 . 1 1 65 THR 65 . A 65 THR . middle . . 36795 1 . 1 1 66 ASP 66 . A 66 ASP . middle . . 36795 1 . 1 1 67 PRO 67 . A 67 PRO . middle no . 36795 1 . 1 1 68 SER 68 . A 68 SER . middle . . 36795 1 . 1 1 69 LYS 69 . A 69 LYS . middle . . 36795 1 . 1 1 7 THR 7 . A 7 THR . middle . . 36795 1 . 1 1 70 LEU 70 . A 70 LEU . middle . . 36795 1 . 1 1 71 ASP 71 . A 71 ASP . middle . . 36795 1 . 1 1 72 SER 72 . A 72 SER . middle . . 36795 1 . 1 1 73 GLY 73 . A 73 GLY . middle no . 36795 1 . 1 1 74 LYS 74 . A 74 LYS . middle . . 36795 1 . 1 1 75 GLU 75 . A 75 GLU . middle . . 36795 1 . 1 1 76 LEU 76 . A 76 LEU . middle . . 36795 1 . 1 1 77 HIS 77 . A 77 HIS . middle . . 36795 1 . 1 1 78 ILE 78 . A 78 ILE . middle . . 36795 1 . 1 1 79 ASN 79 . A 79 ASN . middle . . 36795 1 . 1 1 8 GLN 8 . A 8 GLN . middle . . 36795 1 . 1 1 80 LEU 80 . A 80 LEU . middle . . 36795 1 . 1 1 81 ILE 81 . A 81 ILE . middle . . 36795 1 . 1 1 82 PRO 82 . A 82 PRO . middle no . 36795 1 . 1 1 83 ASN 83 . A 83 ASN . middle . . 36795 1 . 1 1 84 LYS 84 . A 84 LYS . middle . . 36795 1 . 1 1 85 GLN 85 . A 85 GLN . middle . . 36795 1 . 1 1 86 ASP 86 . A 86 ASP . middle . . 36795 1 . 1 1 87 ARG 87 . A 87 ARG . middle . . 36795 1 . 1 1 88 THR 88 . A 88 THR . middle . . 36795 1 . 1 1 89 LEU 89 . A 89 LEU . middle . . 36795 1 . 1 1 9 ASP 9 . A 9 ASP . middle . . 36795 1 . 1 1 90 THR 90 . A 90 THR . middle . . 36795 1 . 1 1 91 ILE 91 . A 91 ILE . middle . . 36795 1 . 1 1 92 VAL 92 . A 92 VAL . middle . . 36795 1 . 1 1 93 ASP 93 . A 93 ASP . middle . . 36795 1 . 1 1 94 THR 94 . A 94 THR . middle . . 36795 1 . 1 1 95 GLY 95 . A 95 GLY . middle no . 36795 1 . 1 1 96 ILE 96 . A 96 ILE . middle . . 36795 1 . 1 1 97 GLY 97 . A 97 GLY . middle no . 36795 1 . 1 1 98 MET 98 . A 98 MET . middle . . 36795 1 . 1 1 99 THR 99 . A 99 THR . middle . . 36795 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36795 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Heat shock protein HSP 90-alpha' _Entity.Type polymer _Entity.Polymer_common_type protein _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPEETQTQDQPMEEEEVETF AFQAEIAQLMSLIINTFYSN KEIFLRELISNSSDALDKIR YESLTDPSKLDSGKELHINL IPNKQDRTLTIVDTGIGMTK ADLINNLGTIAKSGTKAFME ALQAGADISMIGQFGVGFYS AYLVAEKVTVITKHNDDEQY AWESSAGGSFTVRTDTGEPM GRGTKVILHLKEDQTEYLEE RRIKEIVKKHSQFIGYPITL FVEKERDKEVSDDEAEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 237 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal domain' _Entity.Mutation . _Entity.EC_number 3.6.4.10 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26730.887 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ; Heat shock 86 kDa,HSP 86,HSP86,Heat shock protein family C member 1,Lipopolysaccharide-associated protein 2,LAP-2,LPS-associated protein 2,Renal carcinoma antigen NY-REN-38 ; common 36795 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 36795 1 2 2 PRO . 36795 1 3 3 GLU . 36795 1 4 4 GLU . 36795 1 5 5 THR . 36795 1 6 6 GLN . 36795 1 7 7 THR . 36795 1 8 8 GLN . 36795 1 9 9 ASP . 36795 1 10 10 GLN . 36795 1 11 11 PRO . 36795 1 12 12 MET . 36795 1 13 13 GLU . 36795 1 14 14 GLU . 36795 1 15 15 GLU . 36795 1 16 16 GLU . 36795 1 17 17 VAL . 36795 1 18 18 GLU . 36795 1 19 19 THR . 36795 1 20 20 PHE . 36795 1 21 21 ALA . 36795 1 22 22 PHE . 36795 1 23 23 GLN . 36795 1 24 24 ALA . 36795 1 25 25 GLU . 36795 1 26 26 ILE . 36795 1 27 27 ALA . 36795 1 28 28 GLN . 36795 1 29 29 LEU . 36795 1 30 30 MET . 36795 1 31 31 SER . 36795 1 32 32 LEU . 36795 1 33 33 ILE . 36795 1 34 34 ILE . 36795 1 35 35 ASN . 36795 1 36 36 THR . 36795 1 37 37 PHE . 36795 1 38 38 TYR . 36795 1 39 39 SER . 36795 1 40 40 ASN . 36795 1 41 41 LYS . 36795 1 42 42 GLU . 36795 1 43 43 ILE . 36795 1 44 44 PHE . 36795 1 45 45 LEU . 36795 1 46 46 ARG . 36795 1 47 47 GLU . 36795 1 48 48 LEU . 36795 1 49 49 ILE . 36795 1 50 50 SER . 36795 1 51 51 ASN . 36795 1 52 52 SER . 36795 1 53 53 SER . 36795 1 54 54 ASP . 36795 1 55 55 ALA . 36795 1 56 56 LEU . 36795 1 57 57 ASP . 36795 1 58 58 LYS . 36795 1 59 59 ILE . 36795 1 60 60 ARG . 36795 1 61 61 TYR . 36795 1 62 62 GLU . 36795 1 63 63 SER . 36795 1 64 64 LEU . 36795 1 65 65 THR . 36795 1 66 66 ASP . 36795 1 67 67 PRO . 36795 1 68 68 SER . 36795 1 69 69 LYS . 36795 1 70 70 LEU . 36795 1 71 71 ASP . 36795 1 72 72 SER . 36795 1 73 73 GLY . 36795 1 74 74 LYS . 36795 1 75 75 GLU . 36795 1 76 76 LEU . 36795 1 77 77 HIS . 36795 1 78 78 ILE . 36795 1 79 79 ASN . 36795 1 80 80 LEU . 36795 1 81 81 ILE . 36795 1 82 82 PRO . 36795 1 83 83 ASN . 36795 1 84 84 LYS . 36795 1 85 85 GLN . 36795 1 86 86 ASP . 36795 1 87 87 ARG . 36795 1 88 88 THR . 36795 1 89 89 LEU . 36795 1 90 90 THR . 36795 1 91 91 ILE . 36795 1 92 92 VAL . 36795 1 93 93 ASP . 36795 1 94 94 THR . 36795 1 95 95 GLY . 36795 1 96 96 ILE . 36795 1 97 97 GLY . 36795 1 98 98 MET . 36795 1 99 99 THR . 36795 1 100 100 LYS . 36795 1 101 101 ALA . 36795 1 102 102 ASP . 36795 1 103 103 LEU . 36795 1 104 104 ILE . 36795 1 105 105 ASN . 36795 1 106 106 ASN . 36795 1 107 107 LEU . 36795 1 108 108 GLY . 36795 1 109 109 THR . 36795 1 110 110 ILE . 36795 1 111 111 ALA . 36795 1 112 112 LYS . 36795 1 113 113 SER . 36795 1 114 114 GLY . 36795 1 115 115 THR . 36795 1 116 116 LYS . 36795 1 117 117 ALA . 36795 1 118 118 PHE . 36795 1 119 119 MET . 36795 1 120 120 GLU . 36795 1 121 121 ALA . 36795 1 122 122 LEU . 36795 1 123 123 GLN . 36795 1 124 124 ALA . 36795 1 125 125 GLY . 36795 1 126 126 ALA . 36795 1 127 127 ASP . 36795 1 128 128 ILE . 36795 1 129 129 SER . 36795 1 130 130 MET . 36795 1 131 131 ILE . 36795 1 132 132 GLY . 36795 1 133 133 GLN . 36795 1 134 134 PHE . 36795 1 135 135 GLY . 36795 1 136 136 VAL . 36795 1 137 137 GLY . 36795 1 138 138 PHE . 36795 1 139 139 TYR . 36795 1 140 140 SER . 36795 1 141 141 ALA . 36795 1 142 142 TYR . 36795 1 143 143 LEU . 36795 1 144 144 VAL . 36795 1 145 145 ALA . 36795 1 146 146 GLU . 36795 1 147 147 LYS . 36795 1 148 148 VAL . 36795 1 149 149 THR . 36795 1 150 150 VAL . 36795 1 151 151 ILE . 36795 1 152 152 THR . 36795 1 153 153 LYS . 36795 1 154 154 HIS . 36795 1 155 155 ASN . 36795 1 156 156 ASP . 36795 1 157 157 ASP . 36795 1 158 158 GLU . 36795 1 159 159 GLN . 36795 1 160 160 TYR . 36795 1 161 161 ALA . 36795 1 162 162 TRP . 36795 1 163 163 GLU . 36795 1 164 164 SER . 36795 1 165 165 SER . 36795 1 166 166 ALA . 36795 1 167 167 GLY . 36795 1 168 168 GLY . 36795 1 169 169 SER . 36795 1 170 170 PHE . 36795 1 171 171 THR . 36795 1 172 172 VAL . 36795 1 173 173 ARG . 36795 1 174 174 THR . 36795 1 175 175 ASP . 36795 1 176 176 THR . 36795 1 177 177 GLY . 36795 1 178 178 GLU . 36795 1 179 179 PRO . 36795 1 180 180 MET . 36795 1 181 181 GLY . 36795 1 182 182 ARG . 36795 1 183 183 GLY . 36795 1 184 184 THR . 36795 1 185 185 LYS . 36795 1 186 186 VAL . 36795 1 187 187 ILE . 36795 1 188 188 LEU . 36795 1 189 189 HIS . 36795 1 190 190 LEU . 36795 1 191 191 LYS . 36795 1 192 192 GLU . 36795 1 193 193 ASP . 36795 1 194 194 GLN . 36795 1 195 195 THR . 36795 1 196 196 GLU . 36795 1 197 197 TYR . 36795 1 198 198 LEU . 36795 1 199 199 GLU . 36795 1 200 200 GLU . 36795 1 201 201 ARG . 36795 1 202 202 ARG . 36795 1 203 203 ILE . 36795 1 204 204 LYS . 36795 1 205 205 GLU . 36795 1 206 206 ILE . 36795 1 207 207 VAL . 36795 1 208 208 LYS . 36795 1 209 209 LYS . 36795 1 210 210 HIS . 36795 1 211 211 SER . 36795 1 212 212 GLN . 36795 1 213 213 PHE . 36795 1 214 214 ILE . 36795 1 215 215 GLY . 36795 1 216 216 TYR . 36795 1 217 217 PRO . 36795 1 218 218 ILE . 36795 1 219 219 THR . 36795 1 220 220 LEU . 36795 1 221 221 PHE . 36795 1 222 222 VAL . 36795 1 223 223 GLU . 36795 1 224 224 LYS . 36795 1 225 225 GLU . 36795 1 226 226 ARG . 36795 1 227 227 ASP . 36795 1 228 228 LYS . 36795 1 229 229 GLU . 36795 1 230 230 VAL . 36795 1 231 231 SER . 36795 1 232 232 ASP . 36795 1 233 233 ASP . 36795 1 234 234 GLU . 36795 1 235 235 ALA . 36795 1 236 236 GLU . 36795 1 237 237 GLU . 36795 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 36795 1 . PRO 2 2 36795 1 . GLU 3 3 36795 1 . GLU 4 4 36795 1 . THR 5 5 36795 1 . GLN 6 6 36795 1 . THR 7 7 36795 1 . GLN 8 8 36795 1 . ASP 9 9 36795 1 . GLN 10 10 36795 1 . PRO 11 11 36795 1 . MET 12 12 36795 1 . GLU 13 13 36795 1 . GLU 14 14 36795 1 . GLU 15 15 36795 1 . GLU 16 16 36795 1 . VAL 17 17 36795 1 . GLU 18 18 36795 1 . THR 19 19 36795 1 . PHE 20 20 36795 1 . ALA 21 21 36795 1 . PHE 22 22 36795 1 . GLN 23 23 36795 1 . ALA 24 24 36795 1 . GLU 25 25 36795 1 . ILE 26 26 36795 1 . ALA 27 27 36795 1 . GLN 28 28 36795 1 . LEU 29 29 36795 1 . MET 30 30 36795 1 . SER 31 31 36795 1 . LEU 32 32 36795 1 . ILE 33 33 36795 1 . ILE 34 34 36795 1 . ASN 35 35 36795 1 . THR 36 36 36795 1 . PHE 37 37 36795 1 . TYR 38 38 36795 1 . SER 39 39 36795 1 . ASN 40 40 36795 1 . LYS 41 41 36795 1 . GLU 42 42 36795 1 . ILE 43 43 36795 1 . PHE 44 44 36795 1 . LEU 45 45 36795 1 . ARG 46 46 36795 1 . GLU 47 47 36795 1 . LEU 48 48 36795 1 . ILE 49 49 36795 1 . SER 50 50 36795 1 . ASN 51 51 36795 1 . SER 52 52 36795 1 . SER 53 53 36795 1 . ASP 54 54 36795 1 . ALA 55 55 36795 1 . LEU 56 56 36795 1 . ASP 57 57 36795 1 . LYS 58 58 36795 1 . ILE 59 59 36795 1 . ARG 60 60 36795 1 . TYR 61 61 36795 1 . GLU 62 62 36795 1 . SER 63 63 36795 1 . LEU 64 64 36795 1 . THR 65 65 36795 1 . ASP 66 66 36795 1 . PRO 67 67 36795 1 . SER 68 68 36795 1 . LYS 69 69 36795 1 . LEU 70 70 36795 1 . ASP 71 71 36795 1 . SER 72 72 36795 1 . GLY 73 73 36795 1 . LYS 74 74 36795 1 . GLU 75 75 36795 1 . LEU 76 76 36795 1 . HIS 77 77 36795 1 . ILE 78 78 36795 1 . ASN 79 79 36795 1 . LEU 80 80 36795 1 . ILE 81 81 36795 1 . PRO 82 82 36795 1 . ASN 83 83 36795 1 . LYS 84 84 36795 1 . GLN 85 85 36795 1 . ASP 86 86 36795 1 . ARG 87 87 36795 1 . THR 88 88 36795 1 . LEU 89 89 36795 1 . THR 90 90 36795 1 . ILE 91 91 36795 1 . VAL 92 92 36795 1 . ASP 93 93 36795 1 . THR 94 94 36795 1 . GLY 95 95 36795 1 . ILE 96 96 36795 1 . GLY 97 97 36795 1 . MET 98 98 36795 1 . THR 99 99 36795 1 . LYS 100 100 36795 1 . ALA 101 101 36795 1 . ASP 102 102 36795 1 . LEU 103 103 36795 1 . ILE 104 104 36795 1 . ASN 105 105 36795 1 . ASN 106 106 36795 1 . LEU 107 107 36795 1 . GLY 108 108 36795 1 . THR 109 109 36795 1 . ILE 110 110 36795 1 . ALA 111 111 36795 1 . LYS 112 112 36795 1 . SER 113 113 36795 1 . GLY 114 114 36795 1 . THR 115 115 36795 1 . LYS 116 116 36795 1 . ALA 117 117 36795 1 . PHE 118 118 36795 1 . MET 119 119 36795 1 . GLU 120 120 36795 1 . ALA 121 121 36795 1 . LEU 122 122 36795 1 . GLN 123 123 36795 1 . ALA 124 124 36795 1 . GLY 125 125 36795 1 . ALA 126 126 36795 1 . ASP 127 127 36795 1 . ILE 128 128 36795 1 . SER 129 129 36795 1 . MET 130 130 36795 1 . ILE 131 131 36795 1 . GLY 132 132 36795 1 . GLN 133 133 36795 1 . PHE 134 134 36795 1 . GLY 135 135 36795 1 . VAL 136 136 36795 1 . GLY 137 137 36795 1 . PHE 138 138 36795 1 . TYR 139 139 36795 1 . SER 140 140 36795 1 . ALA 141 141 36795 1 . TYR 142 142 36795 1 . LEU 143 143 36795 1 . VAL 144 144 36795 1 . ALA 145 145 36795 1 . GLU 146 146 36795 1 . LYS 147 147 36795 1 . VAL 148 148 36795 1 . THR 149 149 36795 1 . VAL 150 150 36795 1 . ILE 151 151 36795 1 . THR 152 152 36795 1 . LYS 153 153 36795 1 . HIS 154 154 36795 1 . ASN 155 155 36795 1 . ASP 156 156 36795 1 . ASP 157 157 36795 1 . GLU 158 158 36795 1 . GLN 159 159 36795 1 . TYR 160 160 36795 1 . ALA 161 161 36795 1 . TRP 162 162 36795 1 . GLU 163 163 36795 1 . SER 164 164 36795 1 . SER 165 165 36795 1 . ALA 166 166 36795 1 . GLY 167 167 36795 1 . GLY 168 168 36795 1 . SER 169 169 36795 1 . PHE 170 170 36795 1 . THR 171 171 36795 1 . VAL 172 172 36795 1 . ARG 173 173 36795 1 . THR 174 174 36795 1 . ASP 175 175 36795 1 . THR 176 176 36795 1 . GLY 177 177 36795 1 . GLU 178 178 36795 1 . PRO 179 179 36795 1 . MET 180 180 36795 1 . GLY 181 181 36795 1 . ARG 182 182 36795 1 . GLY 183 183 36795 1 . THR 184 184 36795 1 . LYS 185 185 36795 1 . VAL 186 186 36795 1 . ILE 187 187 36795 1 . LEU 188 188 36795 1 . HIS 189 189 36795 1 . LEU 190 190 36795 1 . LYS 191 191 36795 1 . GLU 192 192 36795 1 . ASP 193 193 36795 1 . GLN 194 194 36795 1 . THR 195 195 36795 1 . GLU 196 196 36795 1 . TYR 197 197 36795 1 . LEU 198 198 36795 1 . GLU 199 199 36795 1 . GLU 200 200 36795 1 . ARG 201 201 36795 1 . ARG 202 202 36795 1 . ILE 203 203 36795 1 . LYS 204 204 36795 1 . GLU 205 205 36795 1 . ILE 206 206 36795 1 . VAL 207 207 36795 1 . LYS 208 208 36795 1 . LYS 209 209 36795 1 . HIS 210 210 36795 1 . SER 211 211 36795 1 . GLN 212 212 36795 1 . PHE 213 213 36795 1 . ILE 214 214 36795 1 . GLY 215 215 36795 1 . TYR 216 216 36795 1 . PRO 217 217 36795 1 . ILE 218 218 36795 1 . THR 219 219 36795 1 . LEU 220 220 36795 1 . PHE 221 221 36795 1 . VAL 222 222 36795 1 . GLU 223 223 36795 1 . LYS 224 224 36795 1 . GLU 225 225 36795 1 . ARG 226 226 36795 1 . ASP 227 227 36795 1 . LYS 228 228 36795 1 . GLU 229 229 36795 1 . VAL 230 230 36795 1 . SER 231 231 36795 1 . ASP 232 232 36795 1 . ASP 233 233 36795 1 . GLU 234 234 36795 1 . ALA 235 235 36795 1 . GLU 236 236 36795 1 . GLU 237 237 36795 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36795 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'HSP90AA1, HSP90A, HSPC1, HSPCA' . 36795 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 36795 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . 36795 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36795 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-100% 15N] Hsp90a NTD, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Hsp90a NTD' '[U-100% 15N]' 1 $assembly 1 $entity_1 . protein 300 . . uM . . . . 36795 1 2 PBS 'natural abundance' . . . . . buffer 50 . . mM . . . . 36795 1 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36795 1 4 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36795 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36795 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-100% 13C; U-100% 15N] Hsp90a NTD, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Hsp90a NTD' '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 300 . . uM . . . . 36795 2 2 PBS 'natural abundance' . . . . . buffer 50 . . mM . . . . 36795 2 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36795 2 4 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36795 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 36795 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-100% 13C Val,Thr,Leu,Met,Ala,Ile] Hsp90a NTD, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Hsp90a NTD' '[U-100% 13C Val,Thr,Leu,Met,Ala,Ile]' 1 $assembly 1 $entity_1 . protein 300 . . uM . . . . 36795 3 2 PBS 'natural abundance' . . . . . buffer 50 . . mM . . . . 36795 3 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36795 3 4 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36795 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36795 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 36795 1 pH 7.0 . pH 36795 1 pressure 1 . atm 36795 1 temperature 298 . K 36795 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36795 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 36795 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36795 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36795 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 36795 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36795 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36795 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 36795 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36795 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36795 _Software.ID 4 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee W, Tonelli M, Markley JL' . . 36795 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36795 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36795 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 36795 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36795 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 36795 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 850 . . . 36795 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 36795 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC' . . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36795 1 2 '2D 1H-15N HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36795 1 3 '3D 1H-13C NOESY' . . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36795 1 4 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36795 1 5 '3D CBCA(CO)NH' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36795 1 6 '3D HNCA' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36795 1 7 '3D HN(CO)CA' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36795 1 8 '3D HNCACB' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36795 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36795 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 36795 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36795 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36795 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HSQC' 3 $sample_3 isotropic 36795 1 2 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36795 1 3 '3D 1H-13C NOESY' 3 $sample_3 isotropic 36795 1 4 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36795 1 5 '3D CBCA(CO)NH' 2 $sample_2 isotropic 36795 1 6 '3D HNCA' 2 $sample_2 isotropic 36795 1 7 '3D HN(CO)CA' 2 $sample_2 isotropic 36795 1 8 '3D HNCACB' 2 $sample_2 isotropic 36795 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 17 17 VAL HG11 H 1 0.78 . . . . . . . A 17 VAL HG11 . 36795 1 2 . 1 . 1 17 17 VAL HG12 H 1 0.78 . . . . . . . A 17 VAL HG12 . 36795 1 3 . 1 . 1 17 17 VAL HG13 H 1 0.78 . . . . . . . A 17 VAL HG13 . 36795 1 4 . 1 . 1 17 17 VAL HG21 H 1 0.76 . . . . . . . A 17 VAL HG21 . 36795 1 5 . 1 . 1 17 17 VAL HG22 H 1 0.76 . . . . . . . A 17 VAL HG22 . 36795 1 6 . 1 . 1 17 17 VAL HG23 H 1 0.76 . . . . . . . A 17 VAL HG23 . 36795 1 7 . 1 . 1 17 17 VAL CG1 C 13 18.06 . . . . . . . A 17 VAL CG1 . 36795 1 8 . 1 . 1 17 17 VAL CG2 C 13 18.15 . . . . . . . A 17 VAL CG2 . 36795 1 9 . 1 . 1 19 19 THR HG21 H 1 0.83 . . 1 . . . . A 19 THR HG21 . 36795 1 10 . 1 . 1 19 19 THR HG22 H 1 0.83 . . 1 . . . . A 19 THR HG22 . 36795 1 11 . 1 . 1 19 19 THR HG23 H 1 0.83 . . 1 . . . . A 19 THR HG23 . 36795 1 12 . 1 . 1 19 19 THR CG2 C 13 18.16 . . 1 . . . . A 19 THR CG2 . 36795 1 13 . 1 . 1 21 21 ALA HB1 H 1 1.25 . . 1 . . . . A 21 ALA HB1 . 36795 1 14 . 1 . 1 21 21 ALA HB2 H 1 1.25 . . 1 . . . . A 21 ALA HB2 . 36795 1 15 . 1 . 1 21 21 ALA HB3 H 1 1.25 . . 1 . . . . A 21 ALA HB3 . 36795 1 16 . 1 . 1 21 21 ALA CB C 13 16.66 . . 1 . . . . A 21 ALA CB . 36795 1 17 . 1 . 1 24 24 ALA HB1 H 1 1.38 . . 1 . . . . A 24 ALA HB1 . 36795 1 18 . 1 . 1 24 24 ALA HB2 H 1 1.38 . . 1 . . . . A 24 ALA HB2 . 36795 1 19 . 1 . 1 24 24 ALA HB3 H 1 1.38 . . 1 . . . . A 24 ALA HB3 . 36795 1 20 . 1 . 1 24 24 ALA CB C 13 16.11 . . 1 . . . . A 24 ALA CB . 36795 1 21 . 1 . 1 26 26 ILE HD11 H 1 0.78 . . 1 . . . . A 26 ILE HD11 . 36795 1 22 . 1 . 1 26 26 ILE HD12 H 1 0.78 . . 1 . . . . A 26 ILE HD12 . 36795 1 23 . 1 . 1 26 26 ILE HD13 H 1 0.78 . . 1 . . . . A 26 ILE HD13 . 36795 1 24 . 1 . 1 26 26 ILE CD1 C 13 8.8 . . 1 . . . . A 26 ILE CD1 . 36795 1 25 . 1 . 1 27 27 ALA HB1 H 1 1.36 . . 1 . . . . A 27 ALA HB1 . 36795 1 26 . 1 . 1 27 27 ALA HB2 H 1 1.36 . . 1 . . . . A 27 ALA HB2 . 36795 1 27 . 1 . 1 27 27 ALA HB3 H 1 1.36 . . 1 . . . . A 27 ALA HB3 . 36795 1 28 . 1 . 1 27 27 ALA CB C 13 14.62 . . 1 . . . . A 27 ALA CB . 36795 1 29 . 1 . 1 29 29 LEU HD11 H 1 0.76 . . . . . . . A 29 LEU HD11 . 36795 1 30 . 1 . 1 29 29 LEU HD12 H 1 0.76 . . . . . . . A 29 LEU HD12 . 36795 1 31 . 1 . 1 29 29 LEU HD13 H 1 0.76 . . . . . . . A 29 LEU HD13 . 36795 1 32 . 1 . 1 29 29 LEU HD21 H 1 0.88 . . . . . . . A 29 LEU HD21 . 36795 1 33 . 1 . 1 29 29 LEU HD22 H 1 0.88 . . . . . . . A 29 LEU HD22 . 36795 1 34 . 1 . 1 29 29 LEU HD23 H 1 0.88 . . . . . . . A 29 LEU HD23 . 36795 1 35 . 1 . 1 29 29 LEU CD1 C 13 23.55 . . . . . . . A 29 LEU CD1 . 36795 1 36 . 1 . 1 29 29 LEU CD2 C 13 21.04 . . . . . . . A 29 LEU CD2 . 36795 1 37 . 1 . 1 30 30 MET HE1 H 1 1.32 . . 1 . . . . A 30 MET HE1 . 36795 1 38 . 1 . 1 30 30 MET HE2 H 1 1.32 . . 1 . . . . A 30 MET HE2 . 36795 1 39 . 1 . 1 30 30 MET HE3 H 1 1.32 . . 1 . . . . A 30 MET HE3 . 36795 1 40 . 1 . 1 30 30 MET CE C 13 14.14 . . 1 . . . . A 30 MET CE . 36795 1 41 . 1 . 1 32 32 LEU HD11 H 1 0.68 . . . . . . . A 32 LEU HD11 . 36795 1 42 . 1 . 1 32 32 LEU HD12 H 1 0.68 . . . . . . . A 32 LEU HD12 . 36795 1 43 . 1 . 1 32 32 LEU HD13 H 1 0.68 . . . . . . . A 32 LEU HD13 . 36795 1 44 . 1 . 1 32 32 LEU HD21 H 1 0.71 . . . . . . . A 32 LEU HD21 . 36795 1 45 . 1 . 1 32 32 LEU HD22 H 1 0.71 . . . . . . . A 32 LEU HD22 . 36795 1 46 . 1 . 1 32 32 LEU HD23 H 1 0.71 . . . . . . . A 32 LEU HD23 . 36795 1 47 . 1 . 1 32 32 LEU CD1 C 13 21.75 . . . . . . . A 32 LEU CD1 . 36795 1 48 . 1 . 1 32 32 LEU CD2 C 13 22.66 . . . . . . . A 32 LEU CD2 . 36795 1 49 . 1 . 1 33 33 ILE HD11 H 1 0.53 . . 1 . . . . A 33 ILE HD11 . 36795 1 50 . 1 . 1 33 33 ILE HD12 H 1 0.53 . . 1 . . . . A 33 ILE HD12 . 36795 1 51 . 1 . 1 33 33 ILE HD13 H 1 0.53 . . 1 . . . . A 33 ILE HD13 . 36795 1 52 . 1 . 1 33 33 ILE CD1 C 13 10.54 . . 1 . . . . A 33 ILE CD1 . 36795 1 53 . 1 . 1 34 34 ILE HD11 H 1 0.74 . . 1 . . . . A 34 ILE HD11 . 36795 1 54 . 1 . 1 34 34 ILE HD12 H 1 0.74 . . 1 . . . . A 34 ILE HD12 . 36795 1 55 . 1 . 1 34 34 ILE HD13 H 1 0.74 . . 1 . . . . A 34 ILE HD13 . 36795 1 56 . 1 . 1 34 34 ILE CD1 C 13 11.36 . . 1 . . . . A 34 ILE CD1 . 36795 1 57 . 1 . 1 36 36 THR HG21 H 1 0.89 . . 1 . . . . A 36 THR HG21 . 36795 1 58 . 1 . 1 36 36 THR HG22 H 1 0.89 . . 1 . . . . A 36 THR HG22 . 36795 1 59 . 1 . 1 36 36 THR HG23 H 1 0.89 . . 1 . . . . A 36 THR HG23 . 36795 1 60 . 1 . 1 36 36 THR CG2 C 13 17.94 . . 1 . . . . A 36 THR CG2 . 36795 1 61 . 1 . 1 43 43 ILE HD11 H 1 0.59 . . 1 . . . . A 43 ILE HD11 . 36795 1 62 . 1 . 1 43 43 ILE HD12 H 1 0.59 . . 1 . . . . A 43 ILE HD12 . 36795 1 63 . 1 . 1 43 43 ILE HD13 H 1 0.59 . . 1 . . . . A 43 ILE HD13 . 36795 1 64 . 1 . 1 43 43 ILE CD1 C 13 12.32 . . 1 . . . . A 43 ILE CD1 . 36795 1 65 . 1 . 1 45 45 LEU HD11 H 1 0.64 . . . . . . . A 45 LEU HD11 . 36795 1 66 . 1 . 1 45 45 LEU HD12 H 1 0.64 . . . . . . . A 45 LEU HD12 . 36795 1 67 . 1 . 1 45 45 LEU HD13 H 1 0.64 . . . . . . . A 45 LEU HD13 . 36795 1 68 . 1 . 1 45 45 LEU HD21 H 1 0.6 . . . . . . . A 45 LEU HD21 . 36795 1 69 . 1 . 1 45 45 LEU HD22 H 1 0.6 . . . . . . . A 45 LEU HD22 . 36795 1 70 . 1 . 1 45 45 LEU HD23 H 1 0.6 . . . . . . . A 45 LEU HD23 . 36795 1 71 . 1 . 1 45 45 LEU CD1 C 13 20.77 . . . . . . . A 45 LEU CD1 . 36795 1 72 . 1 . 1 45 45 LEU CD2 C 13 22.86 . . . . . . . A 45 LEU CD2 . 36795 1 73 . 1 . 1 48 48 LEU HD11 H 1 0.8 . . . . . . . A 48 LEU HD11 . 36795 1 74 . 1 . 1 48 48 LEU HD12 H 1 0.8 . . . . . . . A 48 LEU HD12 . 36795 1 75 . 1 . 1 48 48 LEU HD13 H 1 0.8 . . . . . . . A 48 LEU HD13 . 36795 1 76 . 1 . 1 48 48 LEU HD21 H 1 0.81 . . . . . . . A 48 LEU HD21 . 36795 1 77 . 1 . 1 48 48 LEU HD22 H 1 0.81 . . . . . . . A 48 LEU HD22 . 36795 1 78 . 1 . 1 48 48 LEU HD23 H 1 0.81 . . . . . . . A 48 LEU HD23 . 36795 1 79 . 1 . 1 48 48 LEU CD1 C 13 19.82 . . . . . . . A 48 LEU CD1 . 36795 1 80 . 1 . 1 48 48 LEU CD2 C 13 24.99 . . . . . . . A 48 LEU CD2 . 36795 1 81 . 1 . 1 49 49 ILE HD11 H 1 0.65 . . 1 . . . . A 49 ILE HD11 . 36795 1 82 . 1 . 1 49 49 ILE HD12 H 1 0.65 . . 1 . . . . A 49 ILE HD12 . 36795 1 83 . 1 . 1 49 49 ILE HD13 H 1 0.65 . . 1 . . . . A 49 ILE HD13 . 36795 1 84 . 1 . 1 49 49 ILE CD1 C 13 11.12 . . 1 . . . . A 49 ILE CD1 . 36795 1 85 . 1 . 1 55 55 ALA HB1 H 1 1.59 . . 1 . . . . A 55 ALA HB1 . 36795 1 86 . 1 . 1 55 55 ALA HB2 H 1 1.59 . . 1 . . . . A 55 ALA HB2 . 36795 1 87 . 1 . 1 55 55 ALA HB3 H 1 1.59 . . 1 . . . . A 55 ALA HB3 . 36795 1 88 . 1 . 1 55 55 ALA CB C 13 16.19 . . 1 . . . . A 55 ALA CB . 36795 1 89 . 1 . 1 56 56 LEU HD11 H 1 0.3 . . . . . . . A 56 LEU HD11 . 36795 1 90 . 1 . 1 56 56 LEU HD12 H 1 0.3 . . . . . . . A 56 LEU HD12 . 36795 1 91 . 1 . 1 56 56 LEU HD13 H 1 0.3 . . . . . . . A 56 LEU HD13 . 36795 1 92 . 1 . 1 56 56 LEU HD21 H 1 -0.02 . . . . . . . A 56 LEU HD21 . 36795 1 93 . 1 . 1 56 56 LEU HD22 H 1 -0.02 . . . . . . . A 56 LEU HD22 . 36795 1 94 . 1 . 1 56 56 LEU HD23 H 1 -0.02 . . . . . . . A 56 LEU HD23 . 36795 1 95 . 1 . 1 56 56 LEU CD1 C 13 23.37 . . . . . . . A 56 LEU CD1 . 36795 1 96 . 1 . 1 56 56 LEU CD2 C 13 22.67 . . . . . . . A 56 LEU CD2 . 36795 1 97 . 1 . 1 59 59 ILE HD11 H 1 0.76 . . 1 . . . . A 59 ILE HD11 . 36795 1 98 . 1 . 1 59 59 ILE HD12 H 1 0.76 . . 1 . . . . A 59 ILE HD12 . 36795 1 99 . 1 . 1 59 59 ILE HD13 H 1 0.76 . . 1 . . . . A 59 ILE HD13 . 36795 1 100 . 1 . 1 59 59 ILE CD1 C 13 11.45 . . 1 . . . . A 59 ILE CD1 . 36795 1 101 . 1 . 1 64 64 LEU HD11 H 1 0.75 . . . . . . . A 64 LEU HD11 . 36795 1 102 . 1 . 1 64 64 LEU HD12 H 1 0.75 . . . . . . . A 64 LEU HD12 . 36795 1 103 . 1 . 1 64 64 LEU HD13 H 1 0.75 . . . . . . . A 64 LEU HD13 . 36795 1 104 . 1 . 1 64 64 LEU HD21 H 1 0.85 . . . . . . . A 64 LEU HD21 . 36795 1 105 . 1 . 1 64 64 LEU HD22 H 1 0.85 . . . . . . . A 64 LEU HD22 . 36795 1 106 . 1 . 1 64 64 LEU HD23 H 1 0.85 . . . . . . . A 64 LEU HD23 . 36795 1 107 . 1 . 1 64 64 LEU CD1 C 13 22.45 . . . . . . . A 64 LEU CD1 . 36795 1 108 . 1 . 1 64 64 LEU CD2 C 13 19.33 . . . . . . . A 64 LEU CD2 . 36795 1 109 . 1 . 1 65 65 THR HG21 H 1 1.09 . . 1 . . . . A 65 THR HG21 . 36795 1 110 . 1 . 1 65 65 THR HG22 H 1 1.09 . . 1 . . . . A 65 THR HG22 . 36795 1 111 . 1 . 1 65 65 THR HG23 H 1 1.09 . . 1 . . . . A 65 THR HG23 . 36795 1 112 . 1 . 1 65 65 THR CG2 C 13 19.09 . . 1 . . . . A 65 THR CG2 . 36795 1 113 . 1 . 1 70 70 LEU HD11 H 1 0.9 . . . . . . . A 70 LEU HD11 . 36795 1 114 . 1 . 1 70 70 LEU HD12 H 1 0.9 . . . . . . . A 70 LEU HD12 . 36795 1 115 . 1 . 1 70 70 LEU HD13 H 1 0.9 . . . . . . . A 70 LEU HD13 . 36795 1 116 . 1 . 1 70 70 LEU HD21 H 1 0.68 . . . . . . . A 70 LEU HD21 . 36795 1 117 . 1 . 1 70 70 LEU HD22 H 1 0.68 . . . . . . . A 70 LEU HD22 . 36795 1 118 . 1 . 1 70 70 LEU HD23 H 1 0.68 . . . . . . . A 70 LEU HD23 . 36795 1 119 . 1 . 1 70 70 LEU CD1 C 13 22.76 . . . . . . . A 70 LEU CD1 . 36795 1 120 . 1 . 1 70 70 LEU CD2 C 13 19.52 . . . . . . . A 70 LEU CD2 . 36795 1 121 . 1 . 1 76 76 LEU HD11 H 1 0.48 . . . . . . . A 76 LEU HD11 . 36795 1 122 . 1 . 1 76 76 LEU HD12 H 1 0.48 . . . . . . . A 76 LEU HD12 . 36795 1 123 . 1 . 1 76 76 LEU HD13 H 1 0.48 . . . . . . . A 76 LEU HD13 . 36795 1 124 . 1 . 1 76 76 LEU HD21 H 1 0.85 . . . . . . . A 76 LEU HD21 . 36795 1 125 . 1 . 1 76 76 LEU HD22 H 1 0.85 . . . . . . . A 76 LEU HD22 . 36795 1 126 . 1 . 1 76 76 LEU HD23 H 1 0.85 . . . . . . . A 76 LEU HD23 . 36795 1 127 . 1 . 1 76 76 LEU CD1 C 13 20.84 . . . . . . . A 76 LEU CD1 . 36795 1 128 . 1 . 1 76 76 LEU CD2 C 13 23.05 . . . . . . . A 76 LEU CD2 . 36795 1 129 . 1 . 1 78 78 ILE HD11 H 1 0.66 . . 1 . . . . A 78 ILE HD11 . 36795 1 130 . 1 . 1 78 78 ILE HD12 H 1 0.66 . . 1 . . . . A 78 ILE HD12 . 36795 1 131 . 1 . 1 78 78 ILE HD13 H 1 0.66 . . 1 . . . . A 78 ILE HD13 . 36795 1 132 . 1 . 1 78 78 ILE CD1 C 13 11.83 . . 1 . . . . A 78 ILE CD1 . 36795 1 133 . 1 . 1 80 80 LEU HD11 H 1 0.73 . . . . . . . A 80 LEU HD11 . 36795 1 134 . 1 . 1 80 80 LEU HD12 H 1 0.73 . . . . . . . A 80 LEU HD12 . 36795 1 135 . 1 . 1 80 80 LEU HD13 H 1 0.73 . . . . . . . A 80 LEU HD13 . 36795 1 136 . 1 . 1 80 80 LEU HD21 H 1 0.63 . . . . . . . A 80 LEU HD21 . 36795 1 137 . 1 . 1 80 80 LEU HD22 H 1 0.63 . . . . . . . A 80 LEU HD22 . 36795 1 138 . 1 . 1 80 80 LEU HD23 H 1 0.63 . . . . . . . A 80 LEU HD23 . 36795 1 139 . 1 . 1 80 80 LEU CD1 C 13 22.78 . . . . . . . A 80 LEU CD1 . 36795 1 140 . 1 . 1 80 80 LEU CD2 C 13 23.89 . . . . . . . A 80 LEU CD2 . 36795 1 141 . 1 . 1 81 81 ILE HD11 H 1 0.62 . . 1 . . . . A 81 ILE HD11 . 36795 1 142 . 1 . 1 81 81 ILE HD12 H 1 0.62 . . 1 . . . . A 81 ILE HD12 . 36795 1 143 . 1 . 1 81 81 ILE HD13 H 1 0.62 . . 1 . . . . A 81 ILE HD13 . 36795 1 144 . 1 . 1 81 81 ILE CD1 C 13 12.27 . . 1 . . . . A 81 ILE CD1 . 36795 1 145 . 1 . 1 88 88 THR HG21 H 1 0.55 . . 1 . . . . A 88 THR HG21 . 36795 1 146 . 1 . 1 88 88 THR HG22 H 1 0.55 . . 1 . . . . A 88 THR HG22 . 36795 1 147 . 1 . 1 88 88 THR HG23 H 1 0.55 . . 1 . . . . A 88 THR HG23 . 36795 1 148 . 1 . 1 88 88 THR CG2 C 13 17.96 . . 1 . . . . A 88 THR CG2 . 36795 1 149 . 1 . 1 89 89 LEU HD11 H 1 1.04 . . . . . . . A 89 LEU HD11 . 36795 1 150 . 1 . 1 89 89 LEU HD12 H 1 1.04 . . . . . . . A 89 LEU HD12 . 36795 1 151 . 1 . 1 89 89 LEU HD13 H 1 1.04 . . . . . . . A 89 LEU HD13 . 36795 1 152 . 1 . 1 89 89 LEU HD21 H 1 0.79 . . . . . . . A 89 LEU HD21 . 36795 1 153 . 1 . 1 89 89 LEU HD22 H 1 0.79 . . . . . . . A 89 LEU HD22 . 36795 1 154 . 1 . 1 89 89 LEU HD23 H 1 0.79 . . . . . . . A 89 LEU HD23 . 36795 1 155 . 1 . 1 89 89 LEU CD1 C 13 22.88 . . . . . . . A 89 LEU CD1 . 36795 1 156 . 1 . 1 89 89 LEU CD2 C 13 19.34 . . . . . . . A 89 LEU CD2 . 36795 1 157 . 1 . 1 90 90 THR HG21 H 1 0.96 . . 1 . . . . A 90 THR HG21 . 36795 1 158 . 1 . 1 90 90 THR HG22 H 1 0.96 . . 1 . . . . A 90 THR HG22 . 36795 1 159 . 1 . 1 90 90 THR HG23 H 1 0.96 . . 1 . . . . A 90 THR HG23 . 36795 1 160 . 1 . 1 90 90 THR CG2 C 13 18.91 . . 1 . . . . A 90 THR CG2 . 36795 1 161 . 1 . 1 91 91 ILE HD11 H 1 0.71 . . 1 . . . . A 91 ILE HD11 . 36795 1 162 . 1 . 1 91 91 ILE HD12 H 1 0.71 . . 1 . . . . A 91 ILE HD12 . 36795 1 163 . 1 . 1 91 91 ILE HD13 H 1 0.71 . . 1 . . . . A 91 ILE HD13 . 36795 1 164 . 1 . 1 91 91 ILE CD1 C 13 13.41 . . 1 . . . . A 91 ILE CD1 . 36795 1 165 . 1 . 1 92 92 VAL HG11 H 1 0.82 . . . . . . . A 92 VAL HG11 . 36795 1 166 . 1 . 1 92 92 VAL HG12 H 1 0.82 . . . . . . . A 92 VAL HG12 . 36795 1 167 . 1 . 1 92 92 VAL HG13 H 1 0.82 . . . . . . . A 92 VAL HG13 . 36795 1 168 . 1 . 1 92 92 VAL HG21 H 1 0.83 . . . . . . . A 92 VAL HG21 . 36795 1 169 . 1 . 1 92 92 VAL HG22 H 1 0.83 . . . . . . . A 92 VAL HG22 . 36795 1 170 . 1 . 1 92 92 VAL HG23 H 1 0.83 . . . . . . . A 92 VAL HG23 . 36795 1 171 . 1 . 1 92 92 VAL CG1 C 13 19.41 . . . . . . . A 92 VAL CG1 . 36795 1 172 . 1 . 1 92 92 VAL CG2 C 13 18.33 . . . . . . . A 92 VAL CG2 . 36795 1 173 . 1 . 1 94 94 THR HG21 H 1 1.03 . . 1 . . . . A 94 THR HG21 . 36795 1 174 . 1 . 1 94 94 THR HG22 H 1 1.03 . . 1 . . . . A 94 THR HG22 . 36795 1 175 . 1 . 1 94 94 THR HG23 H 1 1.03 . . 1 . . . . A 94 THR HG23 . 36795 1 176 . 1 . 1 94 94 THR CG2 C 13 20.69 . . 1 . . . . A 94 THR CG2 . 36795 1 177 . 1 . 1 96 96 ILE HD11 H 1 0.74 . . 1 . . . . A 96 ILE HD11 . 36795 1 178 . 1 . 1 96 96 ILE HD12 H 1 0.74 . . 1 . . . . A 96 ILE HD12 . 36795 1 179 . 1 . 1 96 96 ILE HD13 H 1 0.74 . . 1 . . . . A 96 ILE HD13 . 36795 1 180 . 1 . 1 96 96 ILE CD1 C 13 12.73 . . 1 . . . . A 96 ILE CD1 . 36795 1 181 . 1 . 1 98 98 MET HE1 H 1 1.63 . . 1 . . . . A 98 MET HE1 . 36795 1 182 . 1 . 1 98 98 MET HE2 H 1 1.63 . . 1 . . . . A 98 MET HE2 . 36795 1 183 . 1 . 1 98 98 MET HE3 H 1 1.63 . . 1 . . . . A 98 MET HE3 . 36795 1 184 . 1 . 1 98 98 MET CE C 13 14.96 . . 1 . . . . A 98 MET CE . 36795 1 185 . 1 . 1 99 99 THR HG21 H 1 0.56 . . 1 . . . . A 99 THR HG21 . 36795 1 186 . 1 . 1 99 99 THR HG22 H 1 0.56 . . 1 . . . . A 99 THR HG22 . 36795 1 187 . 1 . 1 99 99 THR HG23 H 1 0.56 . . 1 . . . . A 99 THR HG23 . 36795 1 188 . 1 . 1 99 99 THR CG2 C 13 18.14 . . 1 . . . . A 99 THR CG2 . 36795 1 189 . 1 . 1 101 101 ALA HB1 H 1 1.1 . . 1 . . . . A 101 ALA HB1 . 36795 1 190 . 1 . 1 101 101 ALA HB2 H 1 1.1 . . 1 . . . . A 101 ALA HB2 . 36795 1 191 . 1 . 1 101 101 ALA HB3 H 1 1.1 . . 1 . . . . A 101 ALA HB3 . 36795 1 192 . 1 . 1 101 101 ALA CB C 13 15.12 . . 1 . . . . A 101 ALA CB . 36795 1 193 . 1 . 1 103 103 LEU HD11 H 1 0.67 . . . . . . . A 103 LEU HD11 . 36795 1 194 . 1 . 1 103 103 LEU HD12 H 1 0.67 . . . . . . . A 103 LEU HD12 . 36795 1 195 . 1 . 1 103 103 LEU HD13 H 1 0.67 . . . . . . . A 103 LEU HD13 . 36795 1 196 . 1 . 1 103 103 LEU HD21 H 1 0.59 . . . . . . . A 103 LEU HD21 . 36795 1 197 . 1 . 1 103 103 LEU HD22 H 1 0.59 . . . . . . . A 103 LEU HD22 . 36795 1 198 . 1 . 1 103 103 LEU HD23 H 1 0.59 . . . . . . . A 103 LEU HD23 . 36795 1 199 . 1 . 1 103 103 LEU CD1 C 13 22.21 . . . . . . . A 103 LEU CD1 . 36795 1 200 . 1 . 1 103 103 LEU CD2 C 13 22.2 . . . . . . . A 103 LEU CD2 . 36795 1 201 . 1 . 1 104 104 ILE HD11 H 1 0.47 . . 1 . . . . A 104 ILE HD11 . 36795 1 202 . 1 . 1 104 104 ILE HD12 H 1 0.47 . . 1 . . . . A 104 ILE HD12 . 36795 1 203 . 1 . 1 104 104 ILE HD13 H 1 0.47 . . 1 . . . . A 104 ILE HD13 . 36795 1 204 . 1 . 1 104 104 ILE CD1 C 13 12.01 . . 1 . . . . A 104 ILE CD1 . 36795 1 205 . 1 . 1 107 107 LEU HD11 H 1 -0.94 . . . . . . . A 107 LEU HD11 . 36795 1 206 . 1 . 1 107 107 LEU HD12 H 1 -0.94 . . . . . . . A 107 LEU HD12 . 36795 1 207 . 1 . 1 107 107 LEU HD13 H 1 -0.94 . . . . . . . A 107 LEU HD13 . 36795 1 208 . 1 . 1 107 107 LEU HD21 H 1 -0.73 . . . . . . . A 107 LEU HD21 . 36795 1 209 . 1 . 1 107 107 LEU HD22 H 1 -0.73 . . . . . . . A 107 LEU HD22 . 36795 1 210 . 1 . 1 107 107 LEU HD23 H 1 -0.73 . . . . . . . A 107 LEU HD23 . 36795 1 211 . 1 . 1 107 107 LEU CD1 C 13 18.81 . . . . . . . A 107 LEU CD1 . 36795 1 212 . 1 . 1 107 107 LEU CD2 C 13 20.91 . . . . . . . A 107 LEU CD2 . 36795 1 213 . 1 . 1 109 109 THR HG21 H 1 1.31 . . 1 . . . . A 109 THR HG21 . 36795 1 214 . 1 . 1 109 109 THR HG22 H 1 1.31 . . 1 . . . . A 109 THR HG22 . 36795 1 215 . 1 . 1 109 109 THR HG23 H 1 1.31 . . 1 . . . . A 109 THR HG23 . 36795 1 216 . 1 . 1 109 109 THR CG2 C 13 19.3 . . 1 . . . . A 109 THR CG2 . 36795 1 217 . 1 . 1 110 110 ILE HD11 H 1 0.71 . . 1 . . . . A 110 ILE HD11 . 36795 1 218 . 1 . 1 110 110 ILE HD12 H 1 0.71 . . 1 . . . . A 110 ILE HD12 . 36795 1 219 . 1 . 1 110 110 ILE HD13 H 1 0.71 . . 1 . . . . A 110 ILE HD13 . 36795 1 220 . 1 . 1 110 110 ILE CD1 C 13 9.16 . . 1 . . . . A 110 ILE CD1 . 36795 1 221 . 1 . 1 111 111 ALA HB1 H 1 1.31 . . 1 . . . . A 111 ALA HB1 . 36795 1 222 . 1 . 1 111 111 ALA HB2 H 1 1.31 . . 1 . . . . A 111 ALA HB2 . 36795 1 223 . 1 . 1 111 111 ALA HB3 H 1 1.31 . . 1 . . . . A 111 ALA HB3 . 36795 1 224 . 1 . 1 111 111 ALA CB C 13 15.95 . . 1 . . . . A 111 ALA CB . 36795 1 225 . 1 . 1 115 115 THR HG21 H 1 0.99 . . 1 . . . . A 115 THR HG21 . 36795 1 226 . 1 . 1 115 115 THR HG22 H 1 0.99 . . 1 . . . . A 115 THR HG22 . 36795 1 227 . 1 . 1 115 115 THR HG23 H 1 0.99 . . 1 . . . . A 115 THR HG23 . 36795 1 228 . 1 . 1 115 115 THR CG2 C 13 20.8 . . 1 . . . . A 115 THR CG2 . 36795 1 229 . 1 . 1 117 117 ALA HB1 H 1 1.54 . . 1 . . . . A 117 ALA HB1 . 36795 1 230 . 1 . 1 117 117 ALA HB2 H 1 1.54 . . 1 . . . . A 117 ALA HB2 . 36795 1 231 . 1 . 1 117 117 ALA HB3 H 1 1.54 . . 1 . . . . A 117 ALA HB3 . 36795 1 232 . 1 . 1 117 117 ALA CB C 13 15.34 . . 1 . . . . A 117 ALA CB . 36795 1 233 . 1 . 1 119 119 MET HE1 H 1 1.92 . . 1 . . . . A 119 MET HE1 . 36795 1 234 . 1 . 1 119 119 MET HE2 H 1 1.92 . . 1 . . . . A 119 MET HE2 . 36795 1 235 . 1 . 1 119 119 MET HE3 H 1 1.92 . . 1 . . . . A 119 MET HE3 . 36795 1 236 . 1 . 1 119 119 MET CE C 13 14.01 . . 1 . . . . A 119 MET CE . 36795 1 237 . 1 . 1 121 121 ALA HB1 H 1 1.23 . . 1 . . . . A 121 ALA HB1 . 36795 1 238 . 1 . 1 121 121 ALA HB2 H 1 1.23 . . 1 . . . . A 121 ALA HB2 . 36795 1 239 . 1 . 1 121 121 ALA HB3 H 1 1.23 . . 1 . . . . A 121 ALA HB3 . 36795 1 240 . 1 . 1 121 121 ALA CB C 13 13.9 . . 1 . . . . A 121 ALA CB . 36795 1 241 . 1 . 1 122 122 LEU HD11 H 1 0.29 . . . . . . . A 122 LEU HD11 . 36795 1 242 . 1 . 1 122 122 LEU HD12 H 1 0.29 . . . . . . . A 122 LEU HD12 . 36795 1 243 . 1 . 1 122 122 LEU HD13 H 1 0.29 . . . . . . . A 122 LEU HD13 . 36795 1 244 . 1 . 1 122 122 LEU HD21 H 1 0.21 . . . . . . . A 122 LEU HD21 . 36795 1 245 . 1 . 1 122 122 LEU HD22 H 1 0.21 . . . . . . . A 122 LEU HD22 . 36795 1 246 . 1 . 1 122 122 LEU HD23 H 1 0.21 . . . . . . . A 122 LEU HD23 . 36795 1 247 . 1 . 1 122 122 LEU CD1 C 13 19.64 . . . . . . . A 122 LEU CD1 . 36795 1 248 . 1 . 1 122 122 LEU CD2 C 13 22.41 . . . . . . . A 122 LEU CD2 . 36795 1 249 . 1 . 1 124 124 ALA HB1 H 1 1.38 . . 1 . . . . A 124 ALA HB1 . 36795 1 250 . 1 . 1 124 124 ALA HB2 H 1 1.38 . . 1 . . . . A 124 ALA HB2 . 36795 1 251 . 1 . 1 124 124 ALA HB3 H 1 1.38 . . 1 . . . . A 124 ALA HB3 . 36795 1 252 . 1 . 1 124 124 ALA CB C 13 15.98 . . 1 . . . . A 124 ALA CB . 36795 1 253 . 1 . 1 126 126 ALA HB1 H 1 1.15 . . 1 . . . . A 126 ALA HB1 . 36795 1 254 . 1 . 1 126 126 ALA HB2 H 1 1.15 . . 1 . . . . A 126 ALA HB2 . 36795 1 255 . 1 . 1 126 126 ALA HB3 H 1 1.15 . . 1 . . . . A 126 ALA HB3 . 36795 1 256 . 1 . 1 126 126 ALA CB C 13 16.52 . . 1 . . . . A 126 ALA CB . 36795 1 257 . 1 . 1 128 128 ILE HD11 H 1 0.53 . . 1 . . . . A 128 ILE HD11 . 36795 1 258 . 1 . 1 128 128 ILE HD12 H 1 0.53 . . 1 . . . . A 128 ILE HD12 . 36795 1 259 . 1 . 1 128 128 ILE HD13 H 1 0.53 . . 1 . . . . A 128 ILE HD13 . 36795 1 260 . 1 . 1 128 128 ILE CD1 C 13 10.56 . . 1 . . . . A 128 ILE CD1 . 36795 1 261 . 1 . 1 130 130 MET HE1 H 1 2.1 . . 1 . . . . A 130 MET HE1 . 36795 1 262 . 1 . 1 130 130 MET HE2 H 1 2.1 . . 1 . . . . A 130 MET HE2 . 36795 1 263 . 1 . 1 130 130 MET HE3 H 1 2.1 . . 1 . . . . A 130 MET HE3 . 36795 1 264 . 1 . 1 130 130 MET CE C 13 14.37 . . 1 . . . . A 130 MET CE . 36795 1 265 . 1 . 1 131 131 ILE HD11 H 1 0.56 . . 1 . . . . A 131 ILE HD11 . 36795 1 266 . 1 . 1 131 131 ILE HD12 H 1 0.56 . . 1 . . . . A 131 ILE HD12 . 36795 1 267 . 1 . 1 131 131 ILE HD13 H 1 0.56 . . 1 . . . . A 131 ILE HD13 . 36795 1 268 . 1 . 1 131 131 ILE CD1 C 13 11.74 . . 1 . . . . A 131 ILE CD1 . 36795 1 269 . 1 . 1 136 136 VAL HG11 H 1 0.46 . . . . . . . A 136 VAL HG11 . 36795 1 270 . 1 . 1 136 136 VAL HG12 H 1 0.46 . . . . . . . A 136 VAL HG12 . 36795 1 271 . 1 . 1 136 136 VAL HG13 H 1 0.46 . . . . . . . A 136 VAL HG13 . 36795 1 272 . 1 . 1 136 136 VAL HG21 H 1 0.86 . . . . . . . A 136 VAL HG21 . 36795 1 273 . 1 . 1 136 136 VAL HG22 H 1 0.86 . . . . . . . A 136 VAL HG22 . 36795 1 274 . 1 . 1 136 136 VAL HG23 H 1 0.86 . . . . . . . A 136 VAL HG23 . 36795 1 275 . 1 . 1 136 136 VAL CG1 C 13 14.91 . . . . . . . A 136 VAL CG1 . 36795 1 276 . 1 . 1 136 136 VAL CG2 C 13 19.73 . . . . . . . A 136 VAL CG2 . 36795 1 277 . 1 . 1 141 141 ALA HB1 H 1 0.71 . . 1 . . . . A 141 ALA HB1 . 36795 1 278 . 1 . 1 141 141 ALA HB2 H 1 0.71 . . 1 . . . . A 141 ALA HB2 . 36795 1 279 . 1 . 1 141 141 ALA HB3 H 1 0.71 . . 1 . . . . A 141 ALA HB3 . 36795 1 280 . 1 . 1 141 141 ALA CB C 13 15.8 . . 1 . . . . A 141 ALA CB . 36795 1 281 . 1 . 1 143 143 LEU HD11 H 1 0.91 . . . . . . . A 143 LEU HD11 . 36795 1 282 . 1 . 1 143 143 LEU HD12 H 1 0.91 . . . . . . . A 143 LEU HD12 . 36795 1 283 . 1 . 1 143 143 LEU HD13 H 1 0.91 . . . . . . . A 143 LEU HD13 . 36795 1 284 . 1 . 1 143 143 LEU HD21 H 1 0.94 . . . . . . . A 143 LEU HD21 . 36795 1 285 . 1 . 1 143 143 LEU HD22 H 1 0.94 . . . . . . . A 143 LEU HD22 . 36795 1 286 . 1 . 1 143 143 LEU HD23 H 1 0.94 . . . . . . . A 143 LEU HD23 . 36795 1 287 . 1 . 1 143 143 LEU CD1 C 13 23.95 . . . . . . . A 143 LEU CD1 . 36795 1 288 . 1 . 1 143 143 LEU CD2 C 13 21.46 . . . . . . . A 143 LEU CD2 . 36795 1 289 . 1 . 1 144 144 VAL HG11 H 1 -0.71 . . . . . . . A 144 VAL HG11 . 36795 1 290 . 1 . 1 144 144 VAL HG12 H 1 -0.71 . . . . . . . A 144 VAL HG12 . 36795 1 291 . 1 . 1 144 144 VAL HG13 H 1 -0.71 . . . . . . . A 144 VAL HG13 . 36795 1 292 . 1 . 1 144 144 VAL HG21 H 1 0.33 . . . . . . . A 144 VAL HG21 . 36795 1 293 . 1 . 1 144 144 VAL HG22 H 1 0.33 . . . . . . . A 144 VAL HG22 . 36795 1 294 . 1 . 1 144 144 VAL HG23 H 1 0.33 . . . . . . . A 144 VAL HG23 . 36795 1 295 . 1 . 1 144 144 VAL CG1 C 13 12.72 . . . . . . . A 144 VAL CG1 . 36795 1 296 . 1 . 1 144 144 VAL CG2 C 13 19.58 . . . . . . . A 144 VAL CG2 . 36795 1 297 . 1 . 1 145 145 ALA HB1 H 1 0.81 . . 1 . . . . A 145 ALA HB1 . 36795 1 298 . 1 . 1 145 145 ALA HB2 H 1 0.81 . . 1 . . . . A 145 ALA HB2 . 36795 1 299 . 1 . 1 145 145 ALA HB3 H 1 0.81 . . 1 . . . . A 145 ALA HB3 . 36795 1 300 . 1 . 1 145 145 ALA CB C 13 18.94 . . 1 . . . . A 145 ALA CB . 36795 1 301 . 1 . 1 148 148 VAL HG11 H 1 0.05 . . . . . . . A 148 VAL HG11 . 36795 1 302 . 1 . 1 148 148 VAL HG12 H 1 0.05 . . . . . . . A 148 VAL HG12 . 36795 1 303 . 1 . 1 148 148 VAL HG13 H 1 0.05 . . . . . . . A 148 VAL HG13 . 36795 1 304 . 1 . 1 148 148 VAL HG21 H 1 0.85 . . . . . . . A 148 VAL HG21 . 36795 1 305 . 1 . 1 148 148 VAL HG22 H 1 0.85 . . . . . . . A 148 VAL HG22 . 36795 1 306 . 1 . 1 148 148 VAL HG23 H 1 0.85 . . . . . . . A 148 VAL HG23 . 36795 1 307 . 1 . 1 148 148 VAL CG1 C 13 19.93 . . . . . . . A 148 VAL CG1 . 36795 1 308 . 1 . 1 148 148 VAL CG2 C 13 19.45 . . . . . . . A 148 VAL CG2 . 36795 1 309 . 1 . 1 149 149 THR HG21 H 1 1.39 . . 1 . . . . A 149 THR HG21 . 36795 1 310 . 1 . 1 149 149 THR HG22 H 1 1.39 . . 1 . . . . A 149 THR HG22 . 36795 1 311 . 1 . 1 149 149 THR HG23 H 1 1.39 . . 1 . . . . A 149 THR HG23 . 36795 1 312 . 1 . 1 149 149 THR CG2 C 13 18.53 . . 1 . . . . A 149 THR CG2 . 36795 1 313 . 1 . 1 150 150 VAL HG11 H 1 0.75 . . . . . . . A 150 VAL HG11 . 36795 1 314 . 1 . 1 150 150 VAL HG12 H 1 0.75 . . . . . . . A 150 VAL HG12 . 36795 1 315 . 1 . 1 150 150 VAL HG13 H 1 0.75 . . . . . . . A 150 VAL HG13 . 36795 1 316 . 1 . 1 150 150 VAL HG21 H 1 0.5 . . . . . . . A 150 VAL HG21 . 36795 1 317 . 1 . 1 150 150 VAL HG22 H 1 0.5 . . . . . . . A 150 VAL HG22 . 36795 1 318 . 1 . 1 150 150 VAL HG23 H 1 0.5 . . . . . . . A 150 VAL HG23 . 36795 1 319 . 1 . 1 150 150 VAL CG1 C 13 19.39 . . . . . . . A 150 VAL CG1 . 36795 1 320 . 1 . 1 150 150 VAL CG2 C 13 18.25 . . . . . . . A 150 VAL CG2 . 36795 1 321 . 1 . 1 151 151 ILE HD11 H 1 0.79 . . 1 . . . . A 151 ILE HD11 . 36795 1 322 . 1 . 1 151 151 ILE HD12 H 1 0.79 . . 1 . . . . A 151 ILE HD12 . 36795 1 323 . 1 . 1 151 151 ILE HD13 H 1 0.79 . . 1 . . . . A 151 ILE HD13 . 36795 1 324 . 1 . 1 151 151 ILE CD1 C 13 10.06 . . 1 . . . . A 151 ILE CD1 . 36795 1 325 . 1 . 1 152 152 THR HG21 H 1 1.31 . . 1 . . . . A 152 THR HG21 . 36795 1 326 . 1 . 1 152 152 THR HG22 H 1 1.31 . . 1 . . . . A 152 THR HG22 . 36795 1 327 . 1 . 1 152 152 THR HG23 H 1 1.31 . . 1 . . . . A 152 THR HG23 . 36795 1 328 . 1 . 1 152 152 THR CG2 C 13 16.77 . . 1 . . . . A 152 THR CG2 . 36795 1 329 . 1 . 1 161 161 ALA HB1 H 1 1.2 . . 1 . . . . A 161 ALA HB1 . 36795 1 330 . 1 . 1 161 161 ALA HB2 H 1 1.2 . . 1 . . . . A 161 ALA HB2 . 36795 1 331 . 1 . 1 161 161 ALA HB3 H 1 1.2 . . 1 . . . . A 161 ALA HB3 . 36795 1 332 . 1 . 1 161 161 ALA CB C 13 19.18 . . 1 . . . . A 161 ALA CB . 36795 1 333 . 1 . 1 166 166 ALA HB1 H 1 1.15 . . 1 . . . . A 166 ALA HB1 . 36795 1 334 . 1 . 1 166 166 ALA HB2 H 1 1.15 . . 1 . . . . A 166 ALA HB2 . 36795 1 335 . 1 . 1 166 166 ALA HB3 H 1 1.15 . . 1 . . . . A 166 ALA HB3 . 36795 1 336 . 1 . 1 166 166 ALA CB C 13 14.09 . . 1 . . . . A 166 ALA CB . 36795 1 337 . 1 . 1 171 171 THR HG21 H 1 1 . . 1 . . . . A 171 THR HG21 . 36795 1 338 . 1 . 1 171 171 THR HG22 H 1 1 . . 1 . . . . A 171 THR HG22 . 36795 1 339 . 1 . 1 171 171 THR HG23 H 1 1 . . 1 . . . . A 171 THR HG23 . 36795 1 340 . 1 . 1 171 171 THR CG2 C 13 18.61 . . 1 . . . . A 171 THR CG2 . 36795 1 341 . 1 . 1 172 172 VAL HG11 H 1 1.14 . . . . . . . A 172 VAL HG11 . 36795 1 342 . 1 . 1 172 172 VAL HG12 H 1 1.14 . . . . . . . A 172 VAL HG12 . 36795 1 343 . 1 . 1 172 172 VAL HG13 H 1 1.14 . . . . . . . A 172 VAL HG13 . 36795 1 344 . 1 . 1 172 172 VAL HG21 H 1 0.9 . . . . . . . A 172 VAL HG21 . 36795 1 345 . 1 . 1 172 172 VAL HG22 H 1 0.9 . . . . . . . A 172 VAL HG22 . 36795 1 346 . 1 . 1 172 172 VAL HG23 H 1 0.9 . . . . . . . A 172 VAL HG23 . 36795 1 347 . 1 . 1 172 172 VAL CG1 C 13 20.35 . . . . . . . A 172 VAL CG1 . 36795 1 348 . 1 . 1 172 172 VAL CG2 C 13 19.4 . . . . . . . A 172 VAL CG2 . 36795 1 349 . 1 . 1 174 174 THR HG21 H 1 1.09 . . 1 . . . . A 174 THR HG21 . 36795 1 350 . 1 . 1 174 174 THR HG22 H 1 1.09 . . 1 . . . . A 174 THR HG22 . 36795 1 351 . 1 . 1 174 174 THR HG23 H 1 1.09 . . 1 . . . . A 174 THR HG23 . 36795 1 352 . 1 . 1 174 174 THR CG2 C 13 19.61 . . 1 . . . . A 174 THR CG2 . 36795 1 353 . 1 . 1 176 176 THR HG21 H 1 1.06 . . 1 . . . . A 176 THR HG21 . 36795 1 354 . 1 . 1 176 176 THR HG22 H 1 1.06 . . 1 . . . . A 176 THR HG22 . 36795 1 355 . 1 . 1 176 176 THR HG23 H 1 1.06 . . 1 . . . . A 176 THR HG23 . 36795 1 356 . 1 . 1 176 176 THR CG2 C 13 18.58 . . 1 . . . . A 176 THR CG2 . 36795 1 357 . 1 . 1 180 180 MET HE1 H 1 1.7 . . 1 . . . . A 180 MET HE1 . 36795 1 358 . 1 . 1 180 180 MET HE2 H 1 1.7 . . 1 . . . . A 180 MET HE2 . 36795 1 359 . 1 . 1 180 180 MET HE3 H 1 1.7 . . 1 . . . . A 180 MET HE3 . 36795 1 360 . 1 . 1 180 180 MET CE C 13 13.94 . . 1 . . . . A 180 MET CE . 36795 1 361 . 1 . 1 184 184 THR HG21 H 1 0.91 . . 1 . . . . A 184 THR HG21 . 36795 1 362 . 1 . 1 184 184 THR HG22 H 1 0.91 . . 1 . . . . A 184 THR HG22 . 36795 1 363 . 1 . 1 184 184 THR HG23 H 1 0.91 . . 1 . . . . A 184 THR HG23 . 36795 1 364 . 1 . 1 184 184 THR CG2 C 13 20.16 . . 1 . . . . A 184 THR CG2 . 36795 1 365 . 1 . 1 186 186 VAL HG11 H 1 0.97 . . . . . . . A 186 VAL HG11 . 36795 1 366 . 1 . 1 186 186 VAL HG12 H 1 0.97 . . . . . . . A 186 VAL HG12 . 36795 1 367 . 1 . 1 186 186 VAL HG13 H 1 0.97 . . . . . . . A 186 VAL HG13 . 36795 1 368 . 1 . 1 186 186 VAL HG21 H 1 0.77 . . . . . . . A 186 VAL HG21 . 36795 1 369 . 1 . 1 186 186 VAL HG22 H 1 0.77 . . . . . . . A 186 VAL HG22 . 36795 1 370 . 1 . 1 186 186 VAL HG23 H 1 0.77 . . . . . . . A 186 VAL HG23 . 36795 1 371 . 1 . 1 186 186 VAL CG1 C 13 18.27 . . . . . . . A 186 VAL CG1 . 36795 1 372 . 1 . 1 186 186 VAL CG2 C 13 19.39 . . . . . . . A 186 VAL CG2 . 36795 1 373 . 1 . 1 187 187 ILE HD11 H 1 0.77 . . 1 . . . . A 187 ILE HD11 . 36795 1 374 . 1 . 1 187 187 ILE HD12 H 1 0.77 . . 1 . . . . A 187 ILE HD12 . 36795 1 375 . 1 . 1 187 187 ILE HD13 H 1 0.77 . . 1 . . . . A 187 ILE HD13 . 36795 1 376 . 1 . 1 187 187 ILE CD1 C 13 11.66 . . 1 . . . . A 187 ILE CD1 . 36795 1 377 . 1 . 1 188 188 LEU HD11 H 1 0.67 . . . . . . . A 188 LEU HD11 . 36795 1 378 . 1 . 1 188 188 LEU HD12 H 1 0.67 . . . . . . . A 188 LEU HD12 . 36795 1 379 . 1 . 1 188 188 LEU HD13 H 1 0.67 . . . . . . . A 188 LEU HD13 . 36795 1 380 . 1 . 1 188 188 LEU HD21 H 1 0.45 . . . . . . . A 188 LEU HD21 . 36795 1 381 . 1 . 1 188 188 LEU HD22 H 1 0.45 . . . . . . . A 188 LEU HD22 . 36795 1 382 . 1 . 1 188 188 LEU HD23 H 1 0.45 . . . . . . . A 188 LEU HD23 . 36795 1 383 . 1 . 1 188 188 LEU CD1 C 13 24.01 . . . . . . . A 188 LEU CD1 . 36795 1 384 . 1 . 1 188 188 LEU CD2 C 13 23.92 . . . . . . . A 188 LEU CD2 . 36795 1 385 . 1 . 1 190 190 LEU HD11 H 1 0.49 . . . . . . . A 190 LEU HD11 . 36795 1 386 . 1 . 1 190 190 LEU HD12 H 1 0.49 . . . . . . . A 190 LEU HD12 . 36795 1 387 . 1 . 1 190 190 LEU HD13 H 1 0.49 . . . . . . . A 190 LEU HD13 . 36795 1 388 . 1 . 1 190 190 LEU HD21 H 1 0.7 . . . . . . . A 190 LEU HD21 . 36795 1 389 . 1 . 1 190 190 LEU HD22 H 1 0.7 . . . . . . . A 190 LEU HD22 . 36795 1 390 . 1 . 1 190 190 LEU HD23 H 1 0.7 . . . . . . . A 190 LEU HD23 . 36795 1 391 . 1 . 1 190 190 LEU CD1 C 13 20.06 . . . . . . . A 190 LEU CD1 . 36795 1 392 . 1 . 1 190 190 LEU CD2 C 13 23.85 . . . . . . . A 190 LEU CD2 . 36795 1 393 . 1 . 1 195 195 THR HG21 H 1 1.21 . . 1 . . . . A 195 THR HG21 . 36795 1 394 . 1 . 1 195 195 THR HG22 H 1 1.21 . . 1 . . . . A 195 THR HG22 . 36795 1 395 . 1 . 1 195 195 THR HG23 H 1 1.21 . . 1 . . . . A 195 THR HG23 . 36795 1 396 . 1 . 1 195 195 THR CG2 C 13 19.25 . . 1 . . . . A 195 THR CG2 . 36795 1 397 . 1 . 1 198 198 LEU HD11 H 1 0.87 . . . . . . . A 198 LEU HD11 . 36795 1 398 . 1 . 1 198 198 LEU HD12 H 1 0.87 . . . . . . . A 198 LEU HD12 . 36795 1 399 . 1 . 1 198 198 LEU HD13 H 1 0.87 . . . . . . . A 198 LEU HD13 . 36795 1 400 . 1 . 1 198 198 LEU HD21 H 1 0.59 . . . . . . . A 198 LEU HD21 . 36795 1 401 . 1 . 1 198 198 LEU HD22 H 1 0.59 . . . . . . . A 198 LEU HD22 . 36795 1 402 . 1 . 1 198 198 LEU HD23 H 1 0.59 . . . . . . . A 198 LEU HD23 . 36795 1 403 . 1 . 1 198 198 LEU CD1 C 13 24.24 . . . . . . . A 198 LEU CD1 . 36795 1 404 . 1 . 1 198 198 LEU CD2 C 13 22.1 . . . . . . . A 198 LEU CD2 . 36795 1 405 . 1 . 1 203 203 ILE HD11 H 1 0.75 . . 1 . . . . A 203 ILE HD11 . 36795 1 406 . 1 . 1 203 203 ILE HD12 H 1 0.75 . . 1 . . . . A 203 ILE HD12 . 36795 1 407 . 1 . 1 203 203 ILE HD13 H 1 0.75 . . 1 . . . . A 203 ILE HD13 . 36795 1 408 . 1 . 1 203 203 ILE CD1 C 13 10.75 . . 1 . . . . A 203 ILE CD1 . 36795 1 409 . 1 . 1 206 206 ILE HD11 H 1 0.95 . . 1 . . . . A 206 ILE HD11 . 36795 1 410 . 1 . 1 206 206 ILE HD12 H 1 0.95 . . 1 . . . . A 206 ILE HD12 . 36795 1 411 . 1 . 1 206 206 ILE HD13 H 1 0.95 . . 1 . . . . A 206 ILE HD13 . 36795 1 412 . 1 . 1 206 206 ILE CD1 C 13 12.78 . . 1 . . . . A 206 ILE CD1 . 36795 1 413 . 1 . 1 207 207 VAL HG11 H 1 0.77 . . . . . . . A 207 VAL HG11 . 36795 1 414 . 1 . 1 207 207 VAL HG12 H 1 0.77 . . . . . . . A 207 VAL HG12 . 36795 1 415 . 1 . 1 207 207 VAL HG13 H 1 0.77 . . . . . . . A 207 VAL HG13 . 36795 1 416 . 1 . 1 207 207 VAL HG21 H 1 0.75 . . . . . . . A 207 VAL HG21 . 36795 1 417 . 1 . 1 207 207 VAL HG22 H 1 0.75 . . . . . . . A 207 VAL HG22 . 36795 1 418 . 1 . 1 207 207 VAL HG23 H 1 0.75 . . . . . . . A 207 VAL HG23 . 36795 1 419 . 1 . 1 207 207 VAL CG1 C 13 20.53 . . . . . . . A 207 VAL CG1 . 36795 1 420 . 1 . 1 207 207 VAL CG2 C 13 18.93 . . . . . . . A 207 VAL CG2 . 36795 1 421 . 1 . 1 214 214 ILE HD11 H 1 0.74 . . 1 . . . . A 214 ILE HD11 . 36795 1 422 . 1 . 1 214 214 ILE HD12 H 1 0.74 . . 1 . . . . A 214 ILE HD12 . 36795 1 423 . 1 . 1 214 214 ILE HD13 H 1 0.74 . . 1 . . . . A 214 ILE HD13 . 36795 1 424 . 1 . 1 214 214 ILE CD1 C 13 7.31 . . 1 . . . . A 214 ILE CD1 . 36795 1 425 . 1 . 1 218 218 ILE HD11 H 1 0.79 . . 1 . . . . A 218 ILE HD11 . 36795 1 426 . 1 . 1 218 218 ILE HD12 H 1 0.79 . . 1 . . . . A 218 ILE HD12 . 36795 1 427 . 1 . 1 218 218 ILE HD13 H 1 0.79 . . 1 . . . . A 218 ILE HD13 . 36795 1 428 . 1 . 1 218 218 ILE CD1 C 13 11.88 . . 1 . . . . A 218 ILE CD1 . 36795 1 429 . 1 . 1 219 219 THR HG21 H 1 0.86 . . 1 . . . . A 219 THR HG21 . 36795 1 430 . 1 . 1 219 219 THR HG22 H 1 0.86 . . 1 . . . . A 219 THR HG22 . 36795 1 431 . 1 . 1 219 219 THR HG23 H 1 0.86 . . 1 . . . . A 219 THR HG23 . 36795 1 432 . 1 . 1 219 219 THR CG2 C 13 19.04 . . 1 . . . . A 219 THR CG2 . 36795 1 433 . 1 . 1 220 220 LEU HD11 H 1 0.8 . . . . . . . A 220 LEU HD11 . 36795 1 434 . 1 . 1 220 220 LEU HD12 H 1 0.8 . . . . . . . A 220 LEU HD12 . 36795 1 435 . 1 . 1 220 220 LEU HD13 H 1 0.8 . . . . . . . A 220 LEU HD13 . 36795 1 436 . 1 . 1 220 220 LEU HD21 H 1 0.79 . . . . . . . A 220 LEU HD21 . 36795 1 437 . 1 . 1 220 220 LEU HD22 H 1 0.79 . . . . . . . A 220 LEU HD22 . 36795 1 438 . 1 . 1 220 220 LEU HD23 H 1 0.79 . . . . . . . A 220 LEU HD23 . 36795 1 439 . 1 . 1 220 220 LEU CD1 C 13 21.95 . . . . . . . A 220 LEU CD1 . 36795 1 440 . 1 . 1 220 220 LEU CD2 C 13 24.04 . . . . . . . A 220 LEU CD2 . 36795 1 441 . 1 . 1 222 222 VAL HG11 H 1 0.78 . . . . . . . A 222 VAL HG11 . 36795 1 442 . 1 . 1 222 222 VAL HG12 H 1 0.78 . . . . . . . A 222 VAL HG12 . 36795 1 443 . 1 . 1 222 222 VAL HG13 H 1 0.78 . . . . . . . A 222 VAL HG13 . 36795 1 444 . 1 . 1 222 222 VAL HG21 H 1 0.81 . . . . . . . A 222 VAL HG21 . 36795 1 445 . 1 . 1 222 222 VAL HG22 H 1 0.81 . . . . . . . A 222 VAL HG22 . 36795 1 446 . 1 . 1 222 222 VAL HG23 H 1 0.81 . . . . . . . A 222 VAL HG23 . 36795 1 447 . 1 . 1 222 222 VAL CG1 C 13 17.39 . . . . . . . A 222 VAL CG1 . 36795 1 448 . 1 . 1 222 222 VAL CG2 C 13 18.57 . . . . . . . A 222 VAL CG2 . 36795 1 stop_ save_