data_36799 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36799 _Entry.Title ; Hsp90a T115E 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. . . 36799 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID chaperone . 36799 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36799 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 474 36799 '15N chemical shifts' 174 36799 '1H chemical shifts' 549 36799 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 . 36799 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36795 'Hsp90a N-terminal domain' 36799 BMRB 36796 'Hsp90a T36E N-terminal domain' 36799 BMRB 36797 'the closed-form Hsp90a NTD' 36799 BMRB 36798 'closed-form Hsp90a T36E N-terminal domain' 36799 PDB 9X73 'BMRB Entry Tracking System' 36799 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36799 _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. . . 36799 1 2 C. Huang C. D. . . 36799 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36799 _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 26758.896 _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 ; . 36799 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 . . 36799 1 . 1 1 10 GLN 10 . A 10 GLN . middle . . 36799 1 . 1 1 100 LYS 100 . A 100 LYS . middle . . 36799 1 . 1 1 101 ALA 101 . A 101 ALA . middle . . 36799 1 . 1 1 102 ASP 102 . A 102 ASP . middle . . 36799 1 . 1 1 103 LEU 103 . A 103 LEU . middle . . 36799 1 . 1 1 104 ILE 104 . A 104 ILE . middle . . 36799 1 . 1 1 105 ASN 105 . A 105 ASN . middle . . 36799 1 . 1 1 106 ASN 106 . A 106 ASN . middle . . 36799 1 . 1 1 107 LEU 107 . A 107 LEU . middle . . 36799 1 . 1 1 108 GLY 108 . A 108 GLY . middle no . 36799 1 . 1 1 109 THR 109 . A 109 THR . middle . . 36799 1 . 1 1 11 PRO 11 . A 11 PRO . middle no . 36799 1 . 1 1 110 ILE 110 . A 110 ILE . middle . . 36799 1 . 1 1 111 ALA 111 . A 111 ALA . middle . . 36799 1 . 1 1 112 LYS 112 . A 112 LYS . middle . . 36799 1 . 1 1 113 SER 113 . A 113 SER . middle . . 36799 1 . 1 1 114 GLY 114 . A 114 GLY . middle no . 36799 1 . 1 1 115 GLU 115 . A 115 GLU . middle . . 36799 1 . 1 1 116 LYS 116 . A 116 LYS . middle . . 36799 1 . 1 1 117 ALA 117 . A 117 ALA . middle . . 36799 1 . 1 1 118 PHE 118 . A 118 PHE . middle . . 36799 1 . 1 1 119 MET 119 . A 119 MET . middle . . 36799 1 . 1 1 12 MET 12 . A 12 MET . middle . . 36799 1 . 1 1 120 GLU 120 . A 120 GLU . middle . . 36799 1 . 1 1 121 ALA 121 . A 121 ALA . middle . . 36799 1 . 1 1 122 LEU 122 . A 122 LEU . middle . . 36799 1 . 1 1 123 GLN 123 . A 123 GLN . middle . . 36799 1 . 1 1 124 ALA 124 . A 124 ALA . middle . . 36799 1 . 1 1 125 GLY 125 . A 125 GLY . middle no . 36799 1 . 1 1 126 ALA 126 . A 126 ALA . middle . . 36799 1 . 1 1 127 ASP 127 . A 127 ASP . middle . . 36799 1 . 1 1 128 ILE 128 . A 128 ILE . middle . . 36799 1 . 1 1 129 SER 129 . A 129 SER . middle . . 36799 1 . 1 1 13 GLU 13 . A 13 GLU . middle . . 36799 1 . 1 1 130 MET 130 . A 130 MET . middle . . 36799 1 . 1 1 131 ILE 131 . A 131 ILE . middle . . 36799 1 . 1 1 132 GLY 132 . A 132 GLY . middle no . 36799 1 . 1 1 133 GLN 133 . A 133 GLN . middle . . 36799 1 . 1 1 134 PHE 134 . A 134 PHE . middle . . 36799 1 . 1 1 135 GLY 135 . A 135 GLY . middle no . 36799 1 . 1 1 136 VAL 136 . A 136 VAL . middle . . 36799 1 . 1 1 137 GLY 137 . A 137 GLY . middle no . 36799 1 . 1 1 138 PHE 138 . A 138 PHE . middle . . 36799 1 . 1 1 139 TYR 139 . A 139 TYR . middle . . 36799 1 . 1 1 14 GLU 14 . A 14 GLU . middle . . 36799 1 . 1 1 140 SER 140 . A 140 SER . middle . . 36799 1 . 1 1 141 ALA 141 . A 141 ALA . middle . . 36799 1 . 1 1 142 TYR 142 . A 142 TYR . middle . . 36799 1 . 1 1 143 LEU 143 . A 143 LEU . middle . . 36799 1 . 1 1 144 VAL 144 . A 144 VAL . middle . . 36799 1 . 1 1 145 ALA 145 . A 145 ALA . middle . . 36799 1 . 1 1 146 GLU 146 . A 146 GLU . middle . . 36799 1 . 1 1 147 LYS 147 . A 147 LYS . middle . . 36799 1 . 1 1 148 VAL 148 . A 148 VAL . middle . . 36799 1 . 1 1 149 THR 149 . A 149 THR . middle . . 36799 1 . 1 1 15 GLU 15 . A 15 GLU . middle . . 36799 1 . 1 1 150 VAL 150 . A 150 VAL . middle . . 36799 1 . 1 1 151 ILE 151 . A 151 ILE . middle . . 36799 1 . 1 1 152 THR 152 . A 152 THR . middle . . 36799 1 . 1 1 153 LYS 153 . A 153 LYS . middle . . 36799 1 . 1 1 154 HIS 154 . A 154 HIS . middle . . 36799 1 . 1 1 155 ASN 155 . A 155 ASN . middle . . 36799 1 . 1 1 156 ASP 156 . A 156 ASP . middle . . 36799 1 . 1 1 157 ASP 157 . A 157 ASP . middle . . 36799 1 . 1 1 158 GLU 158 . A 158 GLU . middle . . 36799 1 . 1 1 159 GLN 159 . A 159 GLN . middle . . 36799 1 . 1 1 16 GLU 16 . A 16 GLU . middle . . 36799 1 . 1 1 160 TYR 160 . A 160 TYR . middle . . 36799 1 . 1 1 161 ALA 161 . A 161 ALA . middle . . 36799 1 . 1 1 162 TRP 162 . A 162 TRP . middle . . 36799 1 . 1 1 163 GLU 163 . A 163 GLU . middle . . 36799 1 . 1 1 164 SER 164 . A 164 SER . middle . . 36799 1 . 1 1 165 SER 165 . A 165 SER . middle . . 36799 1 . 1 1 166 ALA 166 . A 166 ALA . middle . . 36799 1 . 1 1 167 GLY 167 . A 167 GLY . middle no . 36799 1 . 1 1 168 GLY 168 . A 168 GLY . middle no . 36799 1 . 1 1 169 SER 169 . A 169 SER . middle . . 36799 1 . 1 1 17 VAL 17 . A 17 VAL . middle . . 36799 1 . 1 1 170 PHE 170 . A 170 PHE . middle . . 36799 1 . 1 1 171 THR 171 . A 171 THR . middle . . 36799 1 . 1 1 172 VAL 172 . A 172 VAL . middle . . 36799 1 . 1 1 173 ARG 173 . A 173 ARG . middle . . 36799 1 . 1 1 174 THR 174 . A 174 THR . middle . . 36799 1 . 1 1 175 ASP 175 . A 175 ASP . middle . . 36799 1 . 1 1 176 THR 176 . A 176 THR . middle . . 36799 1 . 1 1 177 GLY 177 . A 177 GLY . middle no . 36799 1 . 1 1 178 GLU 178 . A 178 GLU . middle . . 36799 1 . 1 1 179 PRO 179 . A 179 PRO . middle no . 36799 1 . 1 1 18 GLU 18 . A 18 GLU . middle . . 36799 1 . 1 1 180 MET 180 . A 180 MET . middle . . 36799 1 . 1 1 181 GLY 181 . A 181 GLY . middle no . 36799 1 . 1 1 182 ARG 182 . A 182 ARG . middle . . 36799 1 . 1 1 183 GLY 183 . A 183 GLY . middle no . 36799 1 . 1 1 184 THR 184 . A 184 THR . middle . . 36799 1 . 1 1 185 LYS 185 . A 185 LYS . middle . . 36799 1 . 1 1 186 VAL 186 . A 186 VAL . middle . . 36799 1 . 1 1 187 ILE 187 . A 187 ILE . middle . . 36799 1 . 1 1 188 LEU 188 . A 188 LEU . middle . . 36799 1 . 1 1 189 HIS 189 . A 189 HIS . middle . . 36799 1 . 1 1 19 THR 19 . A 19 THR . middle . . 36799 1 . 1 1 190 LEU 190 . A 190 LEU . middle . . 36799 1 . 1 1 191 LYS 191 . A 191 LYS . middle . . 36799 1 . 1 1 192 GLU 192 . A 192 GLU . middle . . 36799 1 . 1 1 193 ASP 193 . A 193 ASP . middle . . 36799 1 . 1 1 194 GLN 194 . A 194 GLN . middle . . 36799 1 . 1 1 195 THR 195 . A 195 THR . middle . . 36799 1 . 1 1 196 GLU 196 . A 196 GLU . middle . . 36799 1 . 1 1 197 TYR 197 . A 197 TYR . middle . . 36799 1 . 1 1 198 LEU 198 . A 198 LEU . middle . . 36799 1 . 1 1 199 GLU 199 . A 199 GLU . middle . . 36799 1 . 1 1 2 PRO 2 . A 2 PRO . middle no . 36799 1 . 1 1 20 PHE 20 . A 20 PHE . middle . . 36799 1 . 1 1 200 GLU 200 . A 200 GLU . middle . . 36799 1 . 1 1 201 ARG 201 . A 201 ARG . middle . . 36799 1 . 1 1 202 ARG 202 . A 202 ARG . middle . . 36799 1 . 1 1 203 ILE 203 . A 203 ILE . middle . . 36799 1 . 1 1 204 LYS 204 . A 204 LYS . middle . . 36799 1 . 1 1 205 GLU 205 . A 205 GLU . middle . . 36799 1 . 1 1 206 ILE 206 . A 206 ILE . middle . . 36799 1 . 1 1 207 VAL 207 . A 207 VAL . middle . . 36799 1 . 1 1 208 LYS 208 . A 208 LYS . middle . . 36799 1 . 1 1 209 LYS 209 . A 209 LYS . middle . . 36799 1 . 1 1 21 ALA 21 . A 21 ALA . middle . . 36799 1 . 1 1 210 HIS 210 . A 210 HIS . middle . . 36799 1 . 1 1 211 SER 211 . A 211 SER . middle . . 36799 1 . 1 1 212 GLN 212 . A 212 GLN . middle . . 36799 1 . 1 1 213 PHE 213 . A 213 PHE . middle . . 36799 1 . 1 1 214 ILE 214 . A 214 ILE . middle . . 36799 1 . 1 1 215 GLY 215 . A 215 GLY . middle no . 36799 1 . 1 1 216 TYR 216 . A 216 TYR . middle . . 36799 1 . 1 1 217 PRO 217 . A 217 PRO . middle no . 36799 1 . 1 1 218 ILE 218 . A 218 ILE . middle . . 36799 1 . 1 1 219 THR 219 . A 219 THR . middle . . 36799 1 . 1 1 22 PHE 22 . A 22 PHE . middle . . 36799 1 . 1 1 220 LEU 220 . A 220 LEU . middle . . 36799 1 . 1 1 221 PHE 221 . A 221 PHE . middle . . 36799 1 . 1 1 222 VAL 222 . A 222 VAL . middle . . 36799 1 . 1 1 223 GLU 223 . A 223 GLU . middle . . 36799 1 . 1 1 224 LYS 224 . A 224 LYS . middle . . 36799 1 . 1 1 225 GLU 225 . A 225 GLU . middle . . 36799 1 . 1 1 226 ARG 226 . A 226 ARG . middle . . 36799 1 . 1 1 227 ASP 227 . A 227 ASP . middle . . 36799 1 . 1 1 228 LYS 228 . A 228 LYS . middle . . 36799 1 . 1 1 229 GLU 229 . A 229 GLU . middle . . 36799 1 . 1 1 23 GLN 23 . A 23 GLN . middle . . 36799 1 . 1 1 230 VAL 230 . A 230 VAL . middle . . 36799 1 . 1 1 231 SER 231 . A 231 SER . middle . . 36799 1 . 1 1 232 ASP 232 . A 232 ASP . middle . . 36799 1 . 1 1 233 ASP 233 . A 233 ASP . middle . . 36799 1 . 1 1 234 GLU 234 . A 234 GLU . middle . . 36799 1 . 1 1 235 ALA 235 . A 235 ALA . middle . . 36799 1 . 1 1 236 GLU 236 . A 236 GLU . middle . . 36799 1 . 1 1 237 GLU 237 . A 237 GLU . end . . 36799 1 . 1 1 24 ALA 24 . A 24 ALA . middle . . 36799 1 . 1 1 25 GLU 25 . A 25 GLU . middle . . 36799 1 . 1 1 26 ILE 26 . A 26 ILE . middle . . 36799 1 . 1 1 27 ALA 27 . A 27 ALA . middle . . 36799 1 . 1 1 28 GLN 28 . A 28 GLN . middle . . 36799 1 . 1 1 29 LEU 29 . A 29 LEU . middle . . 36799 1 . 1 1 3 GLU 3 . A 3 GLU . middle . . 36799 1 . 1 1 30 MET 30 . A 30 MET . middle . . 36799 1 . 1 1 31 SER 31 . A 31 SER . middle . . 36799 1 . 1 1 32 LEU 32 . A 32 LEU . middle . . 36799 1 . 1 1 33 ILE 33 . A 33 ILE . middle . . 36799 1 . 1 1 34 ILE 34 . A 34 ILE . middle . . 36799 1 . 1 1 35 ASN 35 . A 35 ASN . middle . . 36799 1 . 1 1 36 THR 36 . A 36 THR . middle . . 36799 1 . 1 1 37 PHE 37 . A 37 PHE . middle . . 36799 1 . 1 1 38 TYR 38 . A 38 TYR . middle . . 36799 1 . 1 1 39 SER 39 . A 39 SER . middle . . 36799 1 . 1 1 4 GLU 4 . A 4 GLU . middle . . 36799 1 . 1 1 40 ASN 40 . A 40 ASN . middle . . 36799 1 . 1 1 41 LYS 41 . A 41 LYS . middle . . 36799 1 . 1 1 42 GLU 42 . A 42 GLU . middle . . 36799 1 . 1 1 43 ILE 43 . A 43 ILE . middle . . 36799 1 . 1 1 44 PHE 44 . A 44 PHE . middle . . 36799 1 . 1 1 45 LEU 45 . A 45 LEU . middle . . 36799 1 . 1 1 46 ARG 46 . A 46 ARG . middle . . 36799 1 . 1 1 47 GLU 47 . A 47 GLU . middle . . 36799 1 . 1 1 48 LEU 48 . A 48 LEU . middle . . 36799 1 . 1 1 49 ILE 49 . A 49 ILE . middle . . 36799 1 . 1 1 5 THR 5 . A 5 THR . middle . . 36799 1 . 1 1 50 SER 50 . A 50 SER . middle . . 36799 1 . 1 1 51 ASN 51 . A 51 ASN . middle . . 36799 1 . 1 1 52 SER 52 . A 52 SER . middle . . 36799 1 . 1 1 53 SER 53 . A 53 SER . middle . . 36799 1 . 1 1 54 ASP 54 . A 54 ASP . middle . . 36799 1 . 1 1 55 ALA 55 . A 55 ALA . middle . . 36799 1 . 1 1 56 LEU 56 . A 56 LEU . middle . . 36799 1 . 1 1 57 ASP 57 . A 57 ASP . middle . . 36799 1 . 1 1 58 LYS 58 . A 58 LYS . middle . . 36799 1 . 1 1 59 ILE 59 . A 59 ILE . middle . . 36799 1 . 1 1 6 GLN 6 . A 6 GLN . middle . . 36799 1 . 1 1 60 ARG 60 . A 60 ARG . middle . . 36799 1 . 1 1 61 TYR 61 . A 61 TYR . middle . . 36799 1 . 1 1 62 GLU 62 . A 62 GLU . middle . . 36799 1 . 1 1 63 SER 63 . A 63 SER . middle . . 36799 1 . 1 1 64 LEU 64 . A 64 LEU . middle . . 36799 1 . 1 1 65 THR 65 . A 65 THR . middle . . 36799 1 . 1 1 66 ASP 66 . A 66 ASP . middle . . 36799 1 . 1 1 67 PRO 67 . A 67 PRO . middle no . 36799 1 . 1 1 68 SER 68 . A 68 SER . middle . . 36799 1 . 1 1 69 LYS 69 . A 69 LYS . middle . . 36799 1 . 1 1 7 THR 7 . A 7 THR . middle . . 36799 1 . 1 1 70 LEU 70 . A 70 LEU . middle . . 36799 1 . 1 1 71 ASP 71 . A 71 ASP . middle . . 36799 1 . 1 1 72 SER 72 . A 72 SER . middle . . 36799 1 . 1 1 73 GLY 73 . A 73 GLY . middle no . 36799 1 . 1 1 74 LYS 74 . A 74 LYS . middle . . 36799 1 . 1 1 75 GLU 75 . A 75 GLU . middle . . 36799 1 . 1 1 76 LEU 76 . A 76 LEU . middle . . 36799 1 . 1 1 77 HIS 77 . A 77 HIS . middle . . 36799 1 . 1 1 78 ILE 78 . A 78 ILE . middle . . 36799 1 . 1 1 79 ASN 79 . A 79 ASN . middle . . 36799 1 . 1 1 8 GLN 8 . A 8 GLN . middle . . 36799 1 . 1 1 80 LEU 80 . A 80 LEU . middle . . 36799 1 . 1 1 81 ILE 81 . A 81 ILE . middle . . 36799 1 . 1 1 82 PRO 82 . A 82 PRO . middle no . 36799 1 . 1 1 83 ASN 83 . A 83 ASN . middle . . 36799 1 . 1 1 84 LYS 84 . A 84 LYS . middle . . 36799 1 . 1 1 85 GLN 85 . A 85 GLN . middle . . 36799 1 . 1 1 86 ASP 86 . A 86 ASP . middle . . 36799 1 . 1 1 87 ARG 87 . A 87 ARG . middle . . 36799 1 . 1 1 88 THR 88 . A 88 THR . middle . . 36799 1 . 1 1 89 LEU 89 . A 89 LEU . middle . . 36799 1 . 1 1 9 ASP 9 . A 9 ASP . middle . . 36799 1 . 1 1 90 THR 90 . A 90 THR . middle . . 36799 1 . 1 1 91 ILE 91 . A 91 ILE . middle . . 36799 1 . 1 1 92 VAL 92 . A 92 VAL . middle . . 36799 1 . 1 1 93 ASP 93 . A 93 ASP . middle . . 36799 1 . 1 1 94 THR 94 . A 94 THR . middle . . 36799 1 . 1 1 95 GLY 95 . A 95 GLY . middle no . 36799 1 . 1 1 96 ILE 96 . A 96 ILE . middle . . 36799 1 . 1 1 97 GLY 97 . A 97 GLY . middle no . 36799 1 . 1 1 98 MET 98 . A 98 MET . middle . . 36799 1 . 1 1 99 THR 99 . A 99 THR . middle . . 36799 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36799 _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 ADLINNLGTIAKSGEKAFME 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 T115E _Entity.EC_number 3.6.4.10 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26758.896 _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 36799 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 . 36799 1 2 2 PRO . 36799 1 3 3 GLU . 36799 1 4 4 GLU . 36799 1 5 5 THR . 36799 1 6 6 GLN . 36799 1 7 7 THR . 36799 1 8 8 GLN . 36799 1 9 9 ASP . 36799 1 10 10 GLN . 36799 1 11 11 PRO . 36799 1 12 12 MET . 36799 1 13 13 GLU . 36799 1 14 14 GLU . 36799 1 15 15 GLU . 36799 1 16 16 GLU . 36799 1 17 17 VAL . 36799 1 18 18 GLU . 36799 1 19 19 THR . 36799 1 20 20 PHE . 36799 1 21 21 ALA . 36799 1 22 22 PHE . 36799 1 23 23 GLN . 36799 1 24 24 ALA . 36799 1 25 25 GLU . 36799 1 26 26 ILE . 36799 1 27 27 ALA . 36799 1 28 28 GLN . 36799 1 29 29 LEU . 36799 1 30 30 MET . 36799 1 31 31 SER . 36799 1 32 32 LEU . 36799 1 33 33 ILE . 36799 1 34 34 ILE . 36799 1 35 35 ASN . 36799 1 36 36 THR . 36799 1 37 37 PHE . 36799 1 38 38 TYR . 36799 1 39 39 SER . 36799 1 40 40 ASN . 36799 1 41 41 LYS . 36799 1 42 42 GLU . 36799 1 43 43 ILE . 36799 1 44 44 PHE . 36799 1 45 45 LEU . 36799 1 46 46 ARG . 36799 1 47 47 GLU . 36799 1 48 48 LEU . 36799 1 49 49 ILE . 36799 1 50 50 SER . 36799 1 51 51 ASN . 36799 1 52 52 SER . 36799 1 53 53 SER . 36799 1 54 54 ASP . 36799 1 55 55 ALA . 36799 1 56 56 LEU . 36799 1 57 57 ASP . 36799 1 58 58 LYS . 36799 1 59 59 ILE . 36799 1 60 60 ARG . 36799 1 61 61 TYR . 36799 1 62 62 GLU . 36799 1 63 63 SER . 36799 1 64 64 LEU . 36799 1 65 65 THR . 36799 1 66 66 ASP . 36799 1 67 67 PRO . 36799 1 68 68 SER . 36799 1 69 69 LYS . 36799 1 70 70 LEU . 36799 1 71 71 ASP . 36799 1 72 72 SER . 36799 1 73 73 GLY . 36799 1 74 74 LYS . 36799 1 75 75 GLU . 36799 1 76 76 LEU . 36799 1 77 77 HIS . 36799 1 78 78 ILE . 36799 1 79 79 ASN . 36799 1 80 80 LEU . 36799 1 81 81 ILE . 36799 1 82 82 PRO . 36799 1 83 83 ASN . 36799 1 84 84 LYS . 36799 1 85 85 GLN . 36799 1 86 86 ASP . 36799 1 87 87 ARG . 36799 1 88 88 THR . 36799 1 89 89 LEU . 36799 1 90 90 THR . 36799 1 91 91 ILE . 36799 1 92 92 VAL . 36799 1 93 93 ASP . 36799 1 94 94 THR . 36799 1 95 95 GLY . 36799 1 96 96 ILE . 36799 1 97 97 GLY . 36799 1 98 98 MET . 36799 1 99 99 THR . 36799 1 100 100 LYS . 36799 1 101 101 ALA . 36799 1 102 102 ASP . 36799 1 103 103 LEU . 36799 1 104 104 ILE . 36799 1 105 105 ASN . 36799 1 106 106 ASN . 36799 1 107 107 LEU . 36799 1 108 108 GLY . 36799 1 109 109 THR . 36799 1 110 110 ILE . 36799 1 111 111 ALA . 36799 1 112 112 LYS . 36799 1 113 113 SER . 36799 1 114 114 GLY . 36799 1 115 115 GLU . 36799 1 116 116 LYS . 36799 1 117 117 ALA . 36799 1 118 118 PHE . 36799 1 119 119 MET . 36799 1 120 120 GLU . 36799 1 121 121 ALA . 36799 1 122 122 LEU . 36799 1 123 123 GLN . 36799 1 124 124 ALA . 36799 1 125 125 GLY . 36799 1 126 126 ALA . 36799 1 127 127 ASP . 36799 1 128 128 ILE . 36799 1 129 129 SER . 36799 1 130 130 MET . 36799 1 131 131 ILE . 36799 1 132 132 GLY . 36799 1 133 133 GLN . 36799 1 134 134 PHE . 36799 1 135 135 GLY . 36799 1 136 136 VAL . 36799 1 137 137 GLY . 36799 1 138 138 PHE . 36799 1 139 139 TYR . 36799 1 140 140 SER . 36799 1 141 141 ALA . 36799 1 142 142 TYR . 36799 1 143 143 LEU . 36799 1 144 144 VAL . 36799 1 145 145 ALA . 36799 1 146 146 GLU . 36799 1 147 147 LYS . 36799 1 148 148 VAL . 36799 1 149 149 THR . 36799 1 150 150 VAL . 36799 1 151 151 ILE . 36799 1 152 152 THR . 36799 1 153 153 LYS . 36799 1 154 154 HIS . 36799 1 155 155 ASN . 36799 1 156 156 ASP . 36799 1 157 157 ASP . 36799 1 158 158 GLU . 36799 1 159 159 GLN . 36799 1 160 160 TYR . 36799 1 161 161 ALA . 36799 1 162 162 TRP . 36799 1 163 163 GLU . 36799 1 164 164 SER . 36799 1 165 165 SER . 36799 1 166 166 ALA . 36799 1 167 167 GLY . 36799 1 168 168 GLY . 36799 1 169 169 SER . 36799 1 170 170 PHE . 36799 1 171 171 THR . 36799 1 172 172 VAL . 36799 1 173 173 ARG . 36799 1 174 174 THR . 36799 1 175 175 ASP . 36799 1 176 176 THR . 36799 1 177 177 GLY . 36799 1 178 178 GLU . 36799 1 179 179 PRO . 36799 1 180 180 MET . 36799 1 181 181 GLY . 36799 1 182 182 ARG . 36799 1 183 183 GLY . 36799 1 184 184 THR . 36799 1 185 185 LYS . 36799 1 186 186 VAL . 36799 1 187 187 ILE . 36799 1 188 188 LEU . 36799 1 189 189 HIS . 36799 1 190 190 LEU . 36799 1 191 191 LYS . 36799 1 192 192 GLU . 36799 1 193 193 ASP . 36799 1 194 194 GLN . 36799 1 195 195 THR . 36799 1 196 196 GLU . 36799 1 197 197 TYR . 36799 1 198 198 LEU . 36799 1 199 199 GLU . 36799 1 200 200 GLU . 36799 1 201 201 ARG . 36799 1 202 202 ARG . 36799 1 203 203 ILE . 36799 1 204 204 LYS . 36799 1 205 205 GLU . 36799 1 206 206 ILE . 36799 1 207 207 VAL . 36799 1 208 208 LYS . 36799 1 209 209 LYS . 36799 1 210 210 HIS . 36799 1 211 211 SER . 36799 1 212 212 GLN . 36799 1 213 213 PHE . 36799 1 214 214 ILE . 36799 1 215 215 GLY . 36799 1 216 216 TYR . 36799 1 217 217 PRO . 36799 1 218 218 ILE . 36799 1 219 219 THR . 36799 1 220 220 LEU . 36799 1 221 221 PHE . 36799 1 222 222 VAL . 36799 1 223 223 GLU . 36799 1 224 224 LYS . 36799 1 225 225 GLU . 36799 1 226 226 ARG . 36799 1 227 227 ASP . 36799 1 228 228 LYS . 36799 1 229 229 GLU . 36799 1 230 230 VAL . 36799 1 231 231 SER . 36799 1 232 232 ASP . 36799 1 233 233 ASP . 36799 1 234 234 GLU . 36799 1 235 235 ALA . 36799 1 236 236 GLU . 36799 1 237 237 GLU . 36799 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 36799 1 . PRO 2 2 36799 1 . GLU 3 3 36799 1 . GLU 4 4 36799 1 . THR 5 5 36799 1 . GLN 6 6 36799 1 . THR 7 7 36799 1 . GLN 8 8 36799 1 . ASP 9 9 36799 1 . GLN 10 10 36799 1 . PRO 11 11 36799 1 . MET 12 12 36799 1 . GLU 13 13 36799 1 . GLU 14 14 36799 1 . GLU 15 15 36799 1 . GLU 16 16 36799 1 . VAL 17 17 36799 1 . GLU 18 18 36799 1 . THR 19 19 36799 1 . PHE 20 20 36799 1 . ALA 21 21 36799 1 . PHE 22 22 36799 1 . GLN 23 23 36799 1 . ALA 24 24 36799 1 . GLU 25 25 36799 1 . ILE 26 26 36799 1 . ALA 27 27 36799 1 . GLN 28 28 36799 1 . LEU 29 29 36799 1 . MET 30 30 36799 1 . SER 31 31 36799 1 . LEU 32 32 36799 1 . ILE 33 33 36799 1 . ILE 34 34 36799 1 . ASN 35 35 36799 1 . THR 36 36 36799 1 . PHE 37 37 36799 1 . TYR 38 38 36799 1 . SER 39 39 36799 1 . ASN 40 40 36799 1 . LYS 41 41 36799 1 . GLU 42 42 36799 1 . ILE 43 43 36799 1 . PHE 44 44 36799 1 . LEU 45 45 36799 1 . ARG 46 46 36799 1 . GLU 47 47 36799 1 . LEU 48 48 36799 1 . ILE 49 49 36799 1 . SER 50 50 36799 1 . ASN 51 51 36799 1 . SER 52 52 36799 1 . SER 53 53 36799 1 . ASP 54 54 36799 1 . ALA 55 55 36799 1 . LEU 56 56 36799 1 . ASP 57 57 36799 1 . LYS 58 58 36799 1 . ILE 59 59 36799 1 . ARG 60 60 36799 1 . TYR 61 61 36799 1 . GLU 62 62 36799 1 . SER 63 63 36799 1 . LEU 64 64 36799 1 . THR 65 65 36799 1 . ASP 66 66 36799 1 . PRO 67 67 36799 1 . SER 68 68 36799 1 . LYS 69 69 36799 1 . LEU 70 70 36799 1 . ASP 71 71 36799 1 . SER 72 72 36799 1 . GLY 73 73 36799 1 . LYS 74 74 36799 1 . GLU 75 75 36799 1 . LEU 76 76 36799 1 . HIS 77 77 36799 1 . ILE 78 78 36799 1 . ASN 79 79 36799 1 . LEU 80 80 36799 1 . ILE 81 81 36799 1 . PRO 82 82 36799 1 . ASN 83 83 36799 1 . LYS 84 84 36799 1 . GLN 85 85 36799 1 . ASP 86 86 36799 1 . ARG 87 87 36799 1 . THR 88 88 36799 1 . LEU 89 89 36799 1 . THR 90 90 36799 1 . ILE 91 91 36799 1 . VAL 92 92 36799 1 . ASP 93 93 36799 1 . THR 94 94 36799 1 . GLY 95 95 36799 1 . ILE 96 96 36799 1 . GLY 97 97 36799 1 . MET 98 98 36799 1 . THR 99 99 36799 1 . LYS 100 100 36799 1 . ALA 101 101 36799 1 . ASP 102 102 36799 1 . LEU 103 103 36799 1 . ILE 104 104 36799 1 . ASN 105 105 36799 1 . ASN 106 106 36799 1 . LEU 107 107 36799 1 . GLY 108 108 36799 1 . THR 109 109 36799 1 . ILE 110 110 36799 1 . ALA 111 111 36799 1 . LYS 112 112 36799 1 . SER 113 113 36799 1 . GLY 114 114 36799 1 . GLU 115 115 36799 1 . LYS 116 116 36799 1 . ALA 117 117 36799 1 . PHE 118 118 36799 1 . MET 119 119 36799 1 . GLU 120 120 36799 1 . ALA 121 121 36799 1 . LEU 122 122 36799 1 . GLN 123 123 36799 1 . ALA 124 124 36799 1 . GLY 125 125 36799 1 . ALA 126 126 36799 1 . ASP 127 127 36799 1 . ILE 128 128 36799 1 . SER 129 129 36799 1 . MET 130 130 36799 1 . ILE 131 131 36799 1 . GLY 132 132 36799 1 . GLN 133 133 36799 1 . PHE 134 134 36799 1 . GLY 135 135 36799 1 . VAL 136 136 36799 1 . GLY 137 137 36799 1 . PHE 138 138 36799 1 . TYR 139 139 36799 1 . SER 140 140 36799 1 . ALA 141 141 36799 1 . TYR 142 142 36799 1 . LEU 143 143 36799 1 . VAL 144 144 36799 1 . ALA 145 145 36799 1 . GLU 146 146 36799 1 . LYS 147 147 36799 1 . VAL 148 148 36799 1 . THR 149 149 36799 1 . VAL 150 150 36799 1 . ILE 151 151 36799 1 . THR 152 152 36799 1 . LYS 153 153 36799 1 . HIS 154 154 36799 1 . ASN 155 155 36799 1 . ASP 156 156 36799 1 . ASP 157 157 36799 1 . GLU 158 158 36799 1 . GLN 159 159 36799 1 . TYR 160 160 36799 1 . ALA 161 161 36799 1 . TRP 162 162 36799 1 . GLU 163 163 36799 1 . SER 164 164 36799 1 . SER 165 165 36799 1 . ALA 166 166 36799 1 . GLY 167 167 36799 1 . GLY 168 168 36799 1 . SER 169 169 36799 1 . PHE 170 170 36799 1 . THR 171 171 36799 1 . VAL 172 172 36799 1 . ARG 173 173 36799 1 . THR 174 174 36799 1 . ASP 175 175 36799 1 . THR 176 176 36799 1 . GLY 177 177 36799 1 . GLU 178 178 36799 1 . PRO 179 179 36799 1 . MET 180 180 36799 1 . GLY 181 181 36799 1 . ARG 182 182 36799 1 . GLY 183 183 36799 1 . THR 184 184 36799 1 . LYS 185 185 36799 1 . VAL 186 186 36799 1 . ILE 187 187 36799 1 . LEU 188 188 36799 1 . HIS 189 189 36799 1 . LEU 190 190 36799 1 . LYS 191 191 36799 1 . GLU 192 192 36799 1 . ASP 193 193 36799 1 . GLN 194 194 36799 1 . THR 195 195 36799 1 . GLU 196 196 36799 1 . TYR 197 197 36799 1 . LEU 198 198 36799 1 . GLU 199 199 36799 1 . GLU 200 200 36799 1 . ARG 201 201 36799 1 . ARG 202 202 36799 1 . ILE 203 203 36799 1 . LYS 204 204 36799 1 . GLU 205 205 36799 1 . ILE 206 206 36799 1 . VAL 207 207 36799 1 . LYS 208 208 36799 1 . LYS 209 209 36799 1 . HIS 210 210 36799 1 . SER 211 211 36799 1 . GLN 212 212 36799 1 . PHE 213 213 36799 1 . ILE 214 214 36799 1 . GLY 215 215 36799 1 . TYR 216 216 36799 1 . PRO 217 217 36799 1 . ILE 218 218 36799 1 . THR 219 219 36799 1 . LEU 220 220 36799 1 . PHE 221 221 36799 1 . VAL 222 222 36799 1 . GLU 223 223 36799 1 . LYS 224 224 36799 1 . GLU 225 225 36799 1 . ARG 226 226 36799 1 . ASP 227 227 36799 1 . LYS 228 228 36799 1 . GLU 229 229 36799 1 . VAL 230 230 36799 1 . SER 231 231 36799 1 . ASP 232 232 36799 1 . ASP 233 233 36799 1 . GLU 234 234 36799 1 . ALA 235 235 36799 1 . GLU 236 236 36799 1 . GLU 237 237 36799 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 36799 _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' . 36799 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 36799 _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 . . . . . . . . . . 36799 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36799 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-100% 15N] Hsp90a T115E 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 T115E NTD' '[U-100% 15N]' 1 $assembly 1 $entity_1 . protein 300 . . uM . . . . 36799 1 2 PBS 'natural abundance' . . . . . buffer 50 . . mM . . . . 36799 1 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36799 1 4 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36799 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36799 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-100% 13C; U-100% 15N] Hsp90a T115E 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 T115E NTD' '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $entity_1 . protein 300 . . uM . . . . 36799 2 2 PBS 'natural abundance' . . . . . buffer 50 . . mM . . . . 36799 2 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36799 2 4 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36799 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 36799 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM [U-100% 13C-Leu,Met,Val,Ala,Thr,Ile] Hsp90a T115E 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 T115E NTD' '[U-100% 13C-Leu,Met,Val,Ala,Thr,Ile]' 1 $assembly 1 $entity_1 . protein 300 . . uM . . . . 36799 3 2 PBS 'natural abundance' . . . . . buffer 50 . . mM . . . . 36799 3 3 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36799 3 4 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36799 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 36799 _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 36799 1 pH 7.0 . pH 36799 1 pressure 1 . atm 36799 1 temperature 298 . K 36799 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36799 _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' . . 36799 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36799 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36799 _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' . . 36799 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36799 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36799 _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 . . 36799 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36799 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36799 _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' . . 36799 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36799 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 36799 _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 36799 _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 36799 _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 . . . 36799 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 850 . . . 36799 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 36799 _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 . . . . . . . . . . . . . . . . . 36799 1 2 '2D 1H-15N HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36799 1 3 '3D 1H-13C NOESY' . . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36799 1 4 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 36799 1 5 '3D CBCA(CO)NH' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36799 1 6 '3D HNCA' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36799 1 7 '3D HN(CO)CA' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36799 1 8 '3D HN(COCA)CB' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36799 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 36799 _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 . . . . . 36799 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36799 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36799 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 36799 _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 36799 1 2 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36799 1 3 '3D 1H-13C NOESY' 3 $sample_3 isotropic 36799 1 4 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36799 1 5 '3D CBCA(CO)NH' 2 $sample_2 isotropic 36799 1 6 '3D HNCA' 2 $sample_2 isotropic 36799 1 7 '3D HN(CO)CA' 2 $sample_2 isotropic 36799 1 8 '3D HN(COCA)CB' 2 $sample_2 isotropic 36799 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 16 16 GLU H H 1 8.52 . . 1 . . . . A 16 GLU H . 36799 1 2 . 1 . 1 16 16 GLU CA C 13 54.4 . . 1 . . . . A 16 GLU CA . 36799 1 3 . 1 . 1 16 16 GLU CB C 13 27.28 . . 1 . . . . A 16 GLU CB . 36799 1 4 . 1 . 1 16 16 GLU N N 15 120.53 . . 1 . . . . A 16 GLU N . 36799 1 5 . 1 . 1 17 17 VAL H H 1 7.99 . . 1 . . . . A 17 VAL H . 36799 1 6 . 1 . 1 17 17 VAL HG11 H 1 0.78 . . . . . . . A 17 VAL HG11 . 36799 1 7 . 1 . 1 17 17 VAL HG12 H 1 0.78 . . . . . . . A 17 VAL HG12 . 36799 1 8 . 1 . 1 17 17 VAL HG13 H 1 0.78 . . . . . . . A 17 VAL HG13 . 36799 1 9 . 1 . 1 17 17 VAL HG21 H 1 0.75 . . . . . . . A 17 VAL HG21 . 36799 1 10 . 1 . 1 17 17 VAL HG22 H 1 0.75 . . . . . . . A 17 VAL HG22 . 36799 1 11 . 1 . 1 17 17 VAL HG23 H 1 0.75 . . . . . . . A 17 VAL HG23 . 36799 1 12 . 1 . 1 17 17 VAL CA C 13 59.04 . . 1 . . . . A 17 VAL CA . 36799 1 13 . 1 . 1 17 17 VAL CB C 13 30.8 . . 1 . . . . A 17 VAL CB . 36799 1 14 . 1 . 1 17 17 VAL CG1 C 13 18.07 . . . . . . . A 17 VAL CG1 . 36799 1 15 . 1 . 1 17 17 VAL CG2 C 13 18.17 . . . . . . . A 17 VAL CG2 . 36799 1 16 . 1 . 1 17 17 VAL N N 15 120.84 . . 1 . . . . A 17 VAL N . 36799 1 17 . 1 . 1 18 18 GLU H H 1 8.4 . . 1 . . . . A 18 GLU H . 36799 1 18 . 1 . 1 18 18 GLU CA C 13 53.38 . . 1 . . . . A 18 GLU CA . 36799 1 19 . 1 . 1 18 18 GLU CB C 13 30.27 . . 1 . . . . A 18 GLU CB . 36799 1 20 . 1 . 1 18 18 GLU N N 15 126.17 . . 1 . . . . A 18 GLU N . 36799 1 21 . 1 . 1 19 19 THR H H 1 7.9 . . 1 . . . . A 19 THR H . 36799 1 22 . 1 . 1 19 19 THR HG21 H 1 0.83 . . 1 . . . . A 19 THR HG21 . 36799 1 23 . 1 . 1 19 19 THR HG22 H 1 0.83 . . 1 . . . . A 19 THR HG22 . 36799 1 24 . 1 . 1 19 19 THR HG23 H 1 0.83 . . 1 . . . . A 19 THR HG23 . 36799 1 25 . 1 . 1 19 19 THR CA C 13 59.61 . . 1 . . . . A 19 THR CA . 36799 1 26 . 1 . 1 19 19 THR CB C 13 67.28 . . 1 . . . . A 19 THR CB . 36799 1 27 . 1 . 1 19 19 THR CG2 C 13 18.17 . . 1 . . . . A 19 THR CG2 . 36799 1 28 . 1 . 1 19 19 THR N N 15 118.34 . . 1 . . . . A 19 THR N . 36799 1 29 . 1 . 1 20 20 PHE H H 1 8.66 . . 1 . . . . A 20 PHE H . 36799 1 30 . 1 . 1 20 20 PHE HD1 H 1 7.00722 . . . . . . . A 20 PHE HD1 . 36799 1 31 . 1 . 1 20 20 PHE HE1 H 1 7.00745 . . . . . . . A 20 PHE HE1 . 36799 1 32 . 1 . 1 20 20 PHE CA C 13 53.58 . . 1 . . . . A 20 PHE CA . 36799 1 33 . 1 . 1 20 20 PHE CB C 13 39.5 . . 1 . . . . A 20 PHE CB . 36799 1 34 . 1 . 1 20 20 PHE CD1 C 13 130.43419 . . . . . . . A 20 PHE CD1 . 36799 1 35 . 1 . 1 20 20 PHE N N 15 125.22 . . 1 . . . . A 20 PHE N . 36799 1 36 . 1 . 1 21 21 ALA H H 1 8.23 . . 1 . . . . A 21 ALA H . 36799 1 37 . 1 . 1 21 21 ALA HB1 H 1 1.25 . . 1 . . . . A 21 ALA HB1 . 36799 1 38 . 1 . 1 21 21 ALA HB2 H 1 1.25 . . 1 . . . . A 21 ALA HB2 . 36799 1 39 . 1 . 1 21 21 ALA HB3 H 1 1.25 . . 1 . . . . A 21 ALA HB3 . 36799 1 40 . 1 . 1 21 21 ALA CA C 13 48.38 . . 1 . . . . A 21 ALA CA . 36799 1 41 . 1 . 1 21 21 ALA CB C 13 16.59 . . 1 . . . . A 21 ALA CB . 36799 1 42 . 1 . 1 21 21 ALA N N 15 122.37 . . 1 . . . . A 21 ALA N . 36799 1 43 . 1 . 1 22 22 PHE H H 1 7.67 . . 1 . . . . A 22 PHE H . 36799 1 44 . 1 . 1 22 22 PHE HD1 H 1 6.99752 . . . . . . . A 22 PHE HD1 . 36799 1 45 . 1 . 1 22 22 PHE HE1 H 1 7.2507 . . . . . . . A 22 PHE HE1 . 36799 1 46 . 1 . 1 22 22 PHE CA C 13 57.22 . . 1 . . . . A 22 PHE CA . 36799 1 47 . 1 . 1 22 22 PHE CB C 13 37.78 . . 1 . . . . A 22 PHE CB . 36799 1 48 . 1 . 1 22 22 PHE CE1 C 13 128.73615 . . . . . . . A 22 PHE CE1 . 36799 1 49 . 1 . 1 22 22 PHE N N 15 118.73 . . 1 . . . . A 22 PHE N . 36799 1 50 . 1 . 1 23 23 GLN CA C 13 54.73 . . 1 . . . . A 23 GLN CA . 36799 1 51 . 1 . 1 24 24 ALA H H 1 8.86 . . 1 . . . . A 24 ALA H . 36799 1 52 . 1 . 1 24 24 ALA HB1 H 1 1.38 . . 1 . . . . A 24 ALA HB1 . 36799 1 53 . 1 . 1 24 24 ALA HB2 H 1 1.38 . . 1 . . . . A 24 ALA HB2 . 36799 1 54 . 1 . 1 24 24 ALA HB3 H 1 1.38 . . 1 . . . . A 24 ALA HB3 . 36799 1 55 . 1 . 1 24 24 ALA CA C 13 54.1 . . 1 . . . . A 24 ALA CA . 36799 1 56 . 1 . 1 24 24 ALA CB C 13 15.91 . . 1 . . . . A 24 ALA CB . 36799 1 57 . 1 . 1 24 24 ALA N N 15 127.16 . . 1 . . . . A 24 ALA N . 36799 1 58 . 1 . 1 25 25 GLU H H 1 9.18 . . 1 . . . . A 25 GLU H . 36799 1 59 . 1 . 1 25 25 GLU CA C 13 58.17 . . 1 . . . . A 25 GLU CA . 36799 1 60 . 1 . 1 25 25 GLU CB C 13 26.09 . . 1 . . . . A 25 GLU CB . 36799 1 61 . 1 . 1 25 25 GLU N N 15 115.92 . . 1 . . . . A 25 GLU N . 36799 1 62 . 1 . 1 26 26 ILE H H 1 7.25 . . 1 . . . . A 26 ILE H . 36799 1 63 . 1 . 1 26 26 ILE HD11 H 1 0.7 . . 1 . . . . A 26 ILE HD11 . 36799 1 64 . 1 . 1 26 26 ILE HD12 H 1 0.7 . . 1 . . . . A 26 ILE HD12 . 36799 1 65 . 1 . 1 26 26 ILE HD13 H 1 0.7 . . 1 . . . . A 26 ILE HD13 . 36799 1 66 . 1 . 1 26 26 ILE CA C 13 61.12 . . 1 . . . . A 26 ILE CA . 36799 1 67 . 1 . 1 26 26 ILE CD1 C 13 10.13 . . 1 . . . . A 26 ILE CD1 . 36799 1 68 . 1 . 1 26 26 ILE N N 15 119.07 . . 1 . . . . A 26 ILE N . 36799 1 69 . 1 . 1 27 27 ALA H H 1 8.42 . . 1 . . . . A 27 ALA H . 36799 1 70 . 1 . 1 27 27 ALA HB1 H 1 1.36 . . 1 . . . . A 27 ALA HB1 . 36799 1 71 . 1 . 1 27 27 ALA HB2 H 1 1.36 . . 1 . . . . A 27 ALA HB2 . 36799 1 72 . 1 . 1 27 27 ALA HB3 H 1 1.36 . . 1 . . . . A 27 ALA HB3 . 36799 1 73 . 1 . 1 27 27 ALA CA C 13 52.9 . . 1 . . . . A 27 ALA CA . 36799 1 74 . 1 . 1 27 27 ALA CB C 13 14.61 . . 1 . . . . A 27 ALA CB . 36799 1 75 . 1 . 1 27 27 ALA N N 15 122.21 . . 1 . . . . A 27 ALA N . 36799 1 76 . 1 . 1 28 28 GLN H H 1 8.06 . . 1 . . . . A 28 GLN H . 36799 1 77 . 1 . 1 28 28 GLN CA C 13 56.37 . . 1 . . . . A 28 GLN CA . 36799 1 78 . 1 . 1 28 28 GLN CB C 13 25.35 . . 1 . . . . A 28 GLN CB . 36799 1 79 . 1 . 1 28 28 GLN N N 15 118.08 . . 1 . . . . A 28 GLN N . 36799 1 80 . 1 . 1 29 29 LEU H H 1 8.07 . . 1 . . . . A 29 LEU H . 36799 1 81 . 1 . 1 29 29 LEU HD11 H 1 0.83 . . . . . . . A 29 LEU HD11 . 36799 1 82 . 1 . 1 29 29 LEU HD12 H 1 0.83 . . . . . . . A 29 LEU HD12 . 36799 1 83 . 1 . 1 29 29 LEU HD13 H 1 0.83 . . . . . . . A 29 LEU HD13 . 36799 1 84 . 1 . 1 29 29 LEU HD21 H 1 0.69 . . . . . . . A 29 LEU HD21 . 36799 1 85 . 1 . 1 29 29 LEU HD22 H 1 0.69 . . . . . . . A 29 LEU HD22 . 36799 1 86 . 1 . 1 29 29 LEU HD23 H 1 0.69 . . . . . . . A 29 LEU HD23 . 36799 1 87 . 1 . 1 29 29 LEU CA C 13 56.15 . . 1 . . . . A 29 LEU CA . 36799 1 88 . 1 . 1 29 29 LEU CB C 13 38.17 . . 1 . . . . A 29 LEU CB . 36799 1 89 . 1 . 1 29 29 LEU CD1 C 13 21.26 . . . . . . . A 29 LEU CD1 . 36799 1 90 . 1 . 1 29 29 LEU CD2 C 13 23.25 . . . . . . . A 29 LEU CD2 . 36799 1 91 . 1 . 1 29 29 LEU N N 15 123.63 . . 1 . . . . A 29 LEU N . 36799 1 92 . 1 . 1 30 30 MET H H 1 8.3 . . 1 . . . . A 30 MET H . 36799 1 93 . 1 . 1 30 30 MET HE1 H 1 1.33 . . 1 . . . . A 30 MET HE1 . 36799 1 94 . 1 . 1 30 30 MET HE2 H 1 1.33 . . 1 . . . . A 30 MET HE2 . 36799 1 95 . 1 . 1 30 30 MET HE3 H 1 1.33 . . 1 . . . . A 30 MET HE3 . 36799 1 96 . 1 . 1 30 30 MET CE C 13 14.01 . . 1 . . . . A 30 MET CE . 36799 1 97 . 1 . 1 30 30 MET N N 15 116.67 . . 1 . . . . A 30 MET N . 36799 1 98 . 1 . 1 31 31 SER H H 1 7.59 . . 1 . . . . A 31 SER H . 36799 1 99 . 1 . 1 31 31 SER CA C 13 59.19 . . 1 . . . . A 31 SER CA . 36799 1 100 . 1 . 1 31 31 SER CB C 13 60.12 . . 1 . . . . A 31 SER CB . 36799 1 101 . 1 . 1 31 31 SER N N 15 111.84 . . 1 . . . . A 31 SER N . 36799 1 102 . 1 . 1 32 32 LEU H H 1 7.8 . . 1 . . . . A 32 LEU H . 36799 1 103 . 1 . 1 32 32 LEU HD11 H 1 0.71 . . . . . . . A 32 LEU HD11 . 36799 1 104 . 1 . 1 32 32 LEU HD12 H 1 0.71 . . . . . . . A 32 LEU HD12 . 36799 1 105 . 1 . 1 32 32 LEU HD13 H 1 0.71 . . . . . . . A 32 LEU HD13 . 36799 1 106 . 1 . 1 32 32 LEU HD21 H 1 0.68 . . . . . . . A 32 LEU HD21 . 36799 1 107 . 1 . 1 32 32 LEU HD22 H 1 0.68 . . . . . . . A 32 LEU HD22 . 36799 1 108 . 1 . 1 32 32 LEU HD23 H 1 0.68 . . . . . . . A 32 LEU HD23 . 36799 1 109 . 1 . 1 32 32 LEU CA C 13 55.89 . . 1 . . . . A 32 LEU CA . 36799 1 110 . 1 . 1 32 32 LEU CB C 13 39.06 . . 1 . . . . A 32 LEU CB . 36799 1 111 . 1 . 1 32 32 LEU CD1 C 13 22.74 . . . . . . . A 32 LEU CD1 . 36799 1 112 . 1 . 1 32 32 LEU CD2 C 13 21.46 . . . . . . . A 32 LEU CD2 . 36799 1 113 . 1 . 1 32 32 LEU N N 15 121.77 . . 1 . . . . A 32 LEU N . 36799 1 114 . 1 . 1 33 33 ILE HD11 H 1 0.56 . . 1 . . . . A 33 ILE HD11 . 36799 1 115 . 1 . 1 33 33 ILE HD12 H 1 0.56 . . 1 . . . . A 33 ILE HD12 . 36799 1 116 . 1 . 1 33 33 ILE HD13 H 1 0.56 . . 1 . . . . A 33 ILE HD13 . 36799 1 117 . 1 . 1 33 33 ILE CD1 C 13 10.96 . . 1 . . . . A 33 ILE CD1 . 36799 1 118 . 1 . 1 34 34 ILE H H 1 8.08 . . 1 . . . . A 34 ILE H . 36799 1 119 . 1 . 1 34 34 ILE HD11 H 1 0.72 . . 1 . . . . A 34 ILE HD11 . 36799 1 120 . 1 . 1 34 34 ILE HD12 H 1 0.72 . . 1 . . . . A 34 ILE HD12 . 36799 1 121 . 1 . 1 34 34 ILE HD13 H 1 0.72 . . 1 . . . . A 34 ILE HD13 . 36799 1 122 . 1 . 1 34 34 ILE CA C 13 62.11 . . 1 . . . . A 34 ILE CA . 36799 1 123 . 1 . 1 34 34 ILE CD1 C 13 11.21 . . 1 . . . . A 34 ILE CD1 . 36799 1 124 . 1 . 1 34 34 ILE N N 15 116.92 . . 1 . . . . A 34 ILE N . 36799 1 125 . 1 . 1 35 35 ASN H H 1 7.68 . . 1 . . . . A 35 ASN H . 36799 1 126 . 1 . 1 35 35 ASN CA C 13 52.11 . . 1 . . . . A 35 ASN CA . 36799 1 127 . 1 . 1 35 35 ASN N N 15 114.24 . . 1 . . . . A 35 ASN N . 36799 1 128 . 1 . 1 36 36 THR HG21 H 1 0.84 . . 1 . . . . A 36 THR HG21 . 36799 1 129 . 1 . 1 36 36 THR HG22 H 1 0.84 . . 1 . . . . A 36 THR HG22 . 36799 1 130 . 1 . 1 36 36 THR HG23 H 1 0.84 . . 1 . . . . A 36 THR HG23 . 36799 1 131 . 1 . 1 36 36 THR CA C 13 59.58 . . 1 . . . . A 36 THR CA . 36799 1 132 . 1 . 1 36 36 THR CB C 13 67.5 . . 1 . . . . A 36 THR CB . 36799 1 133 . 1 . 1 36 36 THR CG2 C 13 17.97 . . 1 . . . . A 36 THR CG2 . 36799 1 134 . 1 . 1 37 37 PHE H H 1 7.98 . . 1 . . . . A 37 PHE H . 36799 1 135 . 1 . 1 37 37 PHE CA C 13 55.05 . . 1 . . . . A 37 PHE CA . 36799 1 136 . 1 . 1 37 37 PHE CB C 13 27.52 . . 1 . . . . A 37 PHE CB . 36799 1 137 . 1 . 1 37 37 PHE N N 15 127.4 . . 1 . . . . A 37 PHE N . 36799 1 138 . 1 . 1 38 38 TYR H H 1 7.14 . . 1 . . . . A 38 TYR H . 36799 1 139 . 1 . 1 38 38 TYR HD1 H 1 7.00924 . . . . . . . A 38 TYR HD1 . 36799 1 140 . 1 . 1 38 38 TYR HE1 H 1 7.23541 . . . . . . . A 38 TYR HE1 . 36799 1 141 . 1 . 1 38 38 TYR CA C 13 59.41 . . 1 . . . . A 38 TYR CA . 36799 1 142 . 1 . 1 38 38 TYR CB C 13 34.42 . . 1 . . . . A 38 TYR CB . 36799 1 143 . 1 . 1 38 38 TYR N N 15 110.29 . . 1 . . . . A 38 TYR N . 36799 1 144 . 1 . 1 39 39 SER H H 1 7.94 . . 1 . . . . A 39 SER H . 36799 1 145 . 1 . 1 39 39 SER CA C 13 59.83 . . 1 . . . . A 39 SER CA . 36799 1 146 . 1 . 1 39 39 SER N N 15 114.04 . . 1 . . . . A 39 SER N . 36799 1 147 . 1 . 1 40 40 ASN CA C 13 49.73 . . 1 . . . . A 40 ASN CA . 36799 1 148 . 1 . 1 40 40 ASN CB C 13 35.11 . . 1 . . . . A 40 ASN CB . 36799 1 149 . 1 . 1 41 41 LYS H H 1 7.93 . . 1 . . . . A 41 LYS H . 36799 1 150 . 1 . 1 41 41 LYS CA C 13 56.95 . . 1 . . . . A 41 LYS CA . 36799 1 151 . 1 . 1 41 41 LYS CB C 13 29.73 . . 1 . . . . A 41 LYS CB . 36799 1 152 . 1 . 1 41 41 LYS N N 15 117.45 . . 1 . . . . A 41 LYS N . 36799 1 153 . 1 . 1 42 42 GLU H H 1 8.34 . . 1 . . . . A 42 GLU H . 36799 1 154 . 1 . 1 42 42 GLU CA C 13 55.89 . . 1 . . . . A 42 GLU CA . 36799 1 155 . 1 . 1 42 42 GLU CB C 13 26.23 . . 1 . . . . A 42 GLU CB . 36799 1 156 . 1 . 1 42 42 GLU N N 15 114.31 . . 1 . . . . A 42 GLU N . 36799 1 157 . 1 . 1 43 43 ILE H H 1 6.85 . . 1 . . . . A 43 ILE H . 36799 1 158 . 1 . 1 43 43 ILE HD11 H 1 0.56 . . 1 . . . . A 43 ILE HD11 . 36799 1 159 . 1 . 1 43 43 ILE HD12 H 1 0.56 . . 1 . . . . A 43 ILE HD12 . 36799 1 160 . 1 . 1 43 43 ILE HD13 H 1 0.56 . . 1 . . . . A 43 ILE HD13 . 36799 1 161 . 1 . 1 43 43 ILE CA C 13 60.23 . . 1 . . . . A 43 ILE CA . 36799 1 162 . 1 . 1 43 43 ILE CB C 13 35.29 . . 1 . . . . A 43 ILE CB . 36799 1 163 . 1 . 1 43 43 ILE CD1 C 13 12.22 . . 1 . . . . A 43 ILE CD1 . 36799 1 164 . 1 . 1 43 43 ILE N N 15 112.62 . . 1 . . . . A 43 ILE N . 36799 1 165 . 1 . 1 44 44 PHE H H 1 7.89 . . 1 . . . . A 44 PHE H . 36799 1 166 . 1 . 1 44 44 PHE HD1 H 1 6.61777 . . . . . . . A 44 PHE HD1 . 36799 1 167 . 1 . 1 44 44 PHE HE1 H 1 7.19307 . . . . . . . A 44 PHE HE1 . 36799 1 168 . 1 . 1 44 44 PHE CA C 13 57.16 . . 1 . . . . A 44 PHE CA . 36799 1 169 . 1 . 1 44 44 PHE CB C 13 35.07 . . 1 . . . . A 44 PHE CB . 36799 1 170 . 1 . 1 44 44 PHE CE1 C 13 127.10986 . . . . . . . A 44 PHE CE1 . 36799 1 171 . 1 . 1 44 44 PHE N N 15 120.24 . . 1 . . . . A 44 PHE N . 36799 1 172 . 1 . 1 45 45 LEU HD11 H 1 0.65 . . . . . . . A 45 LEU HD11 . 36799 1 173 . 1 . 1 45 45 LEU HD12 H 1 0.65 . . . . . . . A 45 LEU HD12 . 36799 1 174 . 1 . 1 45 45 LEU HD13 H 1 0.65 . . . . . . . A 45 LEU HD13 . 36799 1 175 . 1 . 1 45 45 LEU HD21 H 1 0.61 . . . . . . . A 45 LEU HD21 . 36799 1 176 . 1 . 1 45 45 LEU HD22 H 1 0.61 . . . . . . . A 45 LEU HD22 . 36799 1 177 . 1 . 1 45 45 LEU HD23 H 1 0.61 . . . . . . . A 45 LEU HD23 . 36799 1 178 . 1 . 1 45 45 LEU CA C 13 54.14 . . 1 . . . . A 45 LEU CA . 36799 1 179 . 1 . 1 45 45 LEU CB C 13 37.58 . . 1 . . . . A 45 LEU CB . 36799 1 180 . 1 . 1 45 45 LEU CD1 C 13 20.78 . . . . . . . A 45 LEU CD1 . 36799 1 181 . 1 . 1 45 45 LEU CD2 C 13 22.84 . . . . . . . A 45 LEU CD2 . 36799 1 182 . 1 . 1 46 46 ARG H H 1 6.42 . . 1 . . . . A 46 ARG H . 36799 1 183 . 1 . 1 46 46 ARG CA C 13 56.29 . . 1 . . . . A 46 ARG CA . 36799 1 184 . 1 . 1 46 46 ARG CB C 13 26.34 . . 1 . . . . A 46 ARG CB . 36799 1 185 . 1 . 1 46 46 ARG N N 15 117.27 . . 1 . . . . A 46 ARG N . 36799 1 186 . 1 . 1 47 47 GLU H H 1 7.66 . . 1 . . . . A 47 GLU H . 36799 1 187 . 1 . 1 47 47 GLU CA C 13 55.67 . . 1 . . . . A 47 GLU CA . 36799 1 188 . 1 . 1 47 47 GLU CB C 13 25.73 . . 1 . . . . A 47 GLU CB . 36799 1 189 . 1 . 1 47 47 GLU N N 15 116.67 . . 1 . . . . A 47 GLU N . 36799 1 190 . 1 . 1 48 48 LEU H H 1 7.86 . . 1 . . . . A 48 LEU H . 36799 1 191 . 1 . 1 48 48 LEU HD11 H 1 0.81 . . . . . . . A 48 LEU HD11 . 36799 1 192 . 1 . 1 48 48 LEU HD12 H 1 0.81 . . . . . . . A 48 LEU HD12 . 36799 1 193 . 1 . 1 48 48 LEU HD13 H 1 0.81 . . . . . . . A 48 LEU HD13 . 36799 1 194 . 1 . 1 48 48 LEU HD21 H 1 0.81 . . . . . . . A 48 LEU HD21 . 36799 1 195 . 1 . 1 48 48 LEU HD22 H 1 0.81 . . . . . . . A 48 LEU HD22 . 36799 1 196 . 1 . 1 48 48 LEU HD23 H 1 0.81 . . . . . . . A 48 LEU HD23 . 36799 1 197 . 1 . 1 48 48 LEU CA C 13 55.77 . . 1 . . . . A 48 LEU CA . 36799 1 198 . 1 . 1 48 48 LEU CB C 13 37.68 . . 1 . . . . A 48 LEU CB . 36799 1 199 . 1 . 1 48 48 LEU CD1 C 13 24.97 . . . . . . . A 48 LEU CD1 . 36799 1 200 . 1 . 1 48 48 LEU CD2 C 13 19.91 . . . . . . . A 48 LEU CD2 . 36799 1 201 . 1 . 1 48 48 LEU N N 15 119.36 . . 1 . . . . A 48 LEU N . 36799 1 202 . 1 . 1 49 49 ILE H H 1 8.15 . . 1 . . . . A 49 ILE H . 36799 1 203 . 1 . 1 49 49 ILE HD11 H 1 0.65 . . 1 . . . . A 49 ILE HD11 . 36799 1 204 . 1 . 1 49 49 ILE HD12 H 1 0.65 . . 1 . . . . A 49 ILE HD12 . 36799 1 205 . 1 . 1 49 49 ILE HD13 H 1 0.65 . . 1 . . . . A 49 ILE HD13 . 36799 1 206 . 1 . 1 49 49 ILE CD1 C 13 11.13 . . 1 . . . . A 49 ILE CD1 . 36799 1 207 . 1 . 1 49 49 ILE N N 15 119.65 . . 1 . . . . A 49 ILE N . 36799 1 208 . 1 . 1 50 50 SER H H 1 8.15 . . 1 . . . . A 50 SER H . 36799 1 209 . 1 . 1 50 50 SER CA C 13 59.98 . . 1 . . . . A 50 SER CA . 36799 1 210 . 1 . 1 50 50 SER N N 15 116.51 . . 1 . . . . A 50 SER N . 36799 1 211 . 1 . 1 51 51 ASN H H 1 7.84 . . 1 . . . . A 51 ASN H . 36799 1 212 . 1 . 1 51 51 ASN CA C 13 53.68 . . 1 . . . . A 51 ASN CA . 36799 1 213 . 1 . 1 51 51 ASN CB C 13 34.97 . . 1 . . . . A 51 ASN CB . 36799 1 214 . 1 . 1 51 51 ASN N N 15 120.47 . . 1 . . . . A 51 ASN N . 36799 1 215 . 1 . 1 52 52 SER H H 1 8.35 . . 1 . . . . A 52 SER H . 36799 1 216 . 1 . 1 52 52 SER CA C 13 61.36 . . 1 . . . . A 52 SER CA . 36799 1 217 . 1 . 1 52 52 SER N N 15 120.55 . . 1 . . . . A 52 SER N . 36799 1 218 . 1 . 1 53 53 SER H H 1 8.48 . . 1 . . . . A 53 SER H . 36799 1 219 . 1 . 1 53 53 SER CA C 13 59.36 . . 1 . . . . A 53 SER CA . 36799 1 220 . 1 . 1 53 53 SER CB C 13 60.63 . . 1 . . . . A 53 SER CB . 36799 1 221 . 1 . 1 53 53 SER N N 15 115.78 . . 1 . . . . A 53 SER N . 36799 1 222 . 1 . 1 54 54 ASP H H 1 8.16 . . 1 . . . . A 54 ASP H . 36799 1 223 . 1 . 1 54 54 ASP CA C 13 55.17 . . 1 . . . . A 54 ASP CA . 36799 1 224 . 1 . 1 54 54 ASP CB C 13 37.74 . . 1 . . . . A 54 ASP CB . 36799 1 225 . 1 . 1 54 54 ASP N N 15 119.55 . . 1 . . . . A 54 ASP N . 36799 1 226 . 1 . 1 55 55 ALA H H 1 7.84 . . 1 . . . . A 55 ALA H . 36799 1 227 . 1 . 1 55 55 ALA HB1 H 1 1.59 . . 1 . . . . A 55 ALA HB1 . 36799 1 228 . 1 . 1 55 55 ALA HB2 H 1 1.59 . . 1 . . . . A 55 ALA HB2 . 36799 1 229 . 1 . 1 55 55 ALA HB3 H 1 1.59 . . 1 . . . . A 55 ALA HB3 . 36799 1 230 . 1 . 1 55 55 ALA CA C 13 52.89 . . 1 . . . . A 55 ALA CA . 36799 1 231 . 1 . 1 55 55 ALA CB C 13 16.16 . . 1 . . . . A 55 ALA CB . 36799 1 232 . 1 . 1 55 55 ALA N N 15 123.04 . . 1 . . . . A 55 ALA N . 36799 1 233 . 1 . 1 56 56 LEU H H 1 8.4 . . 1 . . . . A 56 LEU H . 36799 1 234 . 1 . 1 56 56 LEU HD11 H 1 0.3 . . . . . . . A 56 LEU HD11 . 36799 1 235 . 1 . 1 56 56 LEU HD12 H 1 0.3 . . . . . . . A 56 LEU HD12 . 36799 1 236 . 1 . 1 56 56 LEU HD13 H 1 0.3 . . . . . . . A 56 LEU HD13 . 36799 1 237 . 1 . 1 56 56 LEU HD21 H 1 -0.03 . . . . . . . A 56 LEU HD21 . 36799 1 238 . 1 . 1 56 56 LEU HD22 H 1 -0.03 . . . . . . . A 56 LEU HD22 . 36799 1 239 . 1 . 1 56 56 LEU HD23 H 1 -0.03 . . . . . . . A 56 LEU HD23 . 36799 1 240 . 1 . 1 56 56 LEU CA C 13 55.35 . . 1 . . . . A 56 LEU CA . 36799 1 241 . 1 . 1 56 56 LEU CB C 13 37.69 . . 1 . . . . A 56 LEU CB . 36799 1 242 . 1 . 1 56 56 LEU CD1 C 13 23.37 . . . . . . . A 56 LEU CD1 . 36799 1 243 . 1 . 1 56 56 LEU CD2 C 13 22.72 . . . . . . . A 56 LEU CD2 . 36799 1 244 . 1 . 1 56 56 LEU N N 15 124.37 . . 1 . . . . A 56 LEU N . 36799 1 245 . 1 . 1 57 57 ASP H H 1 8.77 . . 1 . . . . A 57 ASP H . 36799 1 246 . 1 . 1 57 57 ASP CA C 13 54.91 . . 1 . . . . A 57 ASP CA . 36799 1 247 . 1 . 1 57 57 ASP CB C 13 37.22 . . 1 . . . . A 57 ASP CB . 36799 1 248 . 1 . 1 57 57 ASP N N 15 119.63 . . 1 . . . . A 57 ASP N . 36799 1 249 . 1 . 1 58 58 LYS H H 1 7.74 . . 1 . . . . A 58 LYS H . 36799 1 250 . 1 . 1 58 58 LYS CA C 13 58.08 . . 1 . . . . A 58 LYS CA . 36799 1 251 . 1 . 1 58 58 LYS CB C 13 29.98 . . 1 . . . . A 58 LYS CB . 36799 1 252 . 1 . 1 58 58 LYS N N 15 117.29 . . 1 . . . . A 58 LYS N . 36799 1 253 . 1 . 1 59 59 ILE H H 1 7.31 . . 1 . . . . A 59 ILE H . 36799 1 254 . 1 . 1 59 59 ILE HD11 H 1 0.77 . . 1 . . . . A 59 ILE HD11 . 36799 1 255 . 1 . 1 59 59 ILE HD12 H 1 0.77 . . 1 . . . . A 59 ILE HD12 . 36799 1 256 . 1 . 1 59 59 ILE HD13 H 1 0.77 . . 1 . . . . A 59 ILE HD13 . 36799 1 257 . 1 . 1 59 59 ILE CD1 C 13 11.48 . . 1 . . . . A 59 ILE CD1 . 36799 1 258 . 1 . 1 59 59 ILE N N 15 116.94 . . 1 . . . . A 59 ILE N . 36799 1 259 . 1 . 1 60 60 ARG H H 1 8.52 . . 1 . . . . A 60 ARG H . 36799 1 260 . 1 . 1 60 60 ARG CA C 13 57.73 . . 1 . . . . A 60 ARG CA . 36799 1 261 . 1 . 1 60 60 ARG CB C 13 27.18 . . 1 . . . . A 60 ARG CB . 36799 1 262 . 1 . 1 60 60 ARG N N 15 126.83 . . 1 . . . . A 60 ARG N . 36799 1 263 . 1 . 1 61 61 TYR H H 1 8.65 . . 1 . . . . A 61 TYR H . 36799 1 264 . 1 . 1 61 61 TYR HD1 H 1 7.08066 . . . . . . . A 61 TYR HD1 . 36799 1 265 . 1 . 1 61 61 TYR HE1 H 1 6.74425 . . . . . . . A 61 TYR HE1 . 36799 1 266 . 1 . 1 61 61 TYR CA C 13 58.77 . . 1 . . . . A 61 TYR CA . 36799 1 267 . 1 . 1 61 61 TYR CB C 13 34.74 . . 1 . . . . A 61 TYR CB . 36799 1 268 . 1 . 1 61 61 TYR CD1 C 13 128.82576 . . . . . . . A 61 TYR CD1 . 36799 1 269 . 1 . 1 61 61 TYR CE1 C 13 115.42233 . . . . . . . A 61 TYR CE1 . 36799 1 270 . 1 . 1 61 61 TYR N N 15 118.38 . . 1 . . . . A 61 TYR N . 36799 1 271 . 1 . 1 62 62 GLU H H 1 8.03 . . 1 . . . . A 62 GLU H . 36799 1 272 . 1 . 1 62 62 GLU CA C 13 57.86 . . 1 . . . . A 62 GLU CA . 36799 1 273 . 1 . 1 62 62 GLU CB C 13 27.05 . . 1 . . . . A 62 GLU CB . 36799 1 274 . 1 . 1 62 62 GLU N N 15 119.18 . . 1 . . . . A 62 GLU N . 36799 1 275 . 1 . 1 63 63 SER H H 1 8.25 . . 1 . . . . A 63 SER H . 36799 1 276 . 1 . 1 63 63 SER CA C 13 57.88 . . 1 . . . . A 63 SER CA . 36799 1 277 . 1 . 1 63 63 SER CB C 13 60.95 . . 1 . . . . A 63 SER CB . 36799 1 278 . 1 . 1 63 63 SER N N 15 114.04 . . 1 . . . . A 63 SER N . 36799 1 279 . 1 . 1 64 64 LEU H H 1 7.31 . . 1 . . . . A 64 LEU H . 36799 1 280 . 1 . 1 64 64 LEU HD11 H 1 0.85 . . . . . . . A 64 LEU HD11 . 36799 1 281 . 1 . 1 64 64 LEU HD12 H 1 0.85 . . . . . . . A 64 LEU HD12 . 36799 1 282 . 1 . 1 64 64 LEU HD13 H 1 0.85 . . . . . . . A 64 LEU HD13 . 36799 1 283 . 1 . 1 64 64 LEU HD21 H 1 0.75 . . . . . . . A 64 LEU HD21 . 36799 1 284 . 1 . 1 64 64 LEU HD22 H 1 0.75 . . . . . . . A 64 LEU HD22 . 36799 1 285 . 1 . 1 64 64 LEU HD23 H 1 0.75 . . . . . . . A 64 LEU HD23 . 36799 1 286 . 1 . 1 64 64 LEU CA C 13 54.93 . . 1 . . . . A 64 LEU CA . 36799 1 287 . 1 . 1 64 64 LEU CB C 13 38.47 . . 1 . . . . A 64 LEU CB . 36799 1 288 . 1 . 1 64 64 LEU CD1 C 13 22.48 . . . . . . . A 64 LEU CD1 . 36799 1 289 . 1 . 1 64 64 LEU CD2 C 13 19.31 . . . . . . . A 64 LEU CD2 . 36799 1 290 . 1 . 1 64 64 LEU N N 15 121.6 . . 1 . . . . A 64 LEU N . 36799 1 291 . 1 . 1 65 65 THR H H 1 6.94 . . 1 . . . . A 65 THR H . 36799 1 292 . 1 . 1 65 65 THR HG21 H 1 1.09 . . 1 . . . . A 65 THR HG21 . 36799 1 293 . 1 . 1 65 65 THR HG22 H 1 1.09 . . 1 . . . . A 65 THR HG22 . 36799 1 294 . 1 . 1 65 65 THR HG23 H 1 1.09 . . 1 . . . . A 65 THR HG23 . 36799 1 295 . 1 . 1 65 65 THR CA C 13 59.75 . . 1 . . . . A 65 THR CA . 36799 1 296 . 1 . 1 65 65 THR CB C 13 67.06 . . 1 . . . . A 65 THR CB . 36799 1 297 . 1 . 1 65 65 THR CG2 C 13 19.11 . . 1 . . . . A 65 THR CG2 . 36799 1 298 . 1 . 1 65 65 THR N N 15 106.43 . . 1 . . . . A 65 THR N . 36799 1 299 . 1 . 1 66 66 ASP H H 1 7.26 . . 1 . . . . A 66 ASP H . 36799 1 300 . 1 . 1 66 66 ASP CA C 13 48.96 . . 1 . . . . A 66 ASP CA . 36799 1 301 . 1 . 1 66 66 ASP CB C 13 38.45 . . 1 . . . . A 66 ASP CB . 36799 1 302 . 1 . 1 66 66 ASP N N 15 117.87 . . 1 . . . . A 66 ASP N . 36799 1 303 . 1 . 1 67 67 PRO CA C 13 62.25 . . 1 . . . . A 67 PRO CA . 36799 1 304 . 1 . 1 67 67 PRO CB C 13 29.04 . . 1 . . . . A 67 PRO CB . 36799 1 305 . 1 . 1 68 68 SER H H 1 8 . . 1 . . . . A 68 SER H . 36799 1 306 . 1 . 1 68 68 SER CA C 13 58.52 . . 1 . . . . A 68 SER CA . 36799 1 307 . 1 . 1 68 68 SER CB C 13 60.35 . . 1 . . . . A 68 SER CB . 36799 1 308 . 1 . 1 68 68 SER N N 15 114.99 . . 1 . . . . A 68 SER N . 36799 1 309 . 1 . 1 69 69 LYS H H 1 7.8 . . 1 . . . . A 69 LYS H . 36799 1 310 . 1 . 1 69 69 LYS CA C 13 55.32 . . 1 . . . . A 69 LYS CA . 36799 1 311 . 1 . 1 69 69 LYS CB C 13 29.4 . . 1 . . . . A 69 LYS CB . 36799 1 312 . 1 . 1 69 69 LYS N N 15 123.13 . . 1 . . . . A 69 LYS N . 36799 1 313 . 1 . 1 70 70 LEU H H 1 7.17 . . 1 . . . . A 70 LEU H . 36799 1 314 . 1 . 1 70 70 LEU HD11 H 1 0.68 . . . . . . . A 70 LEU HD11 . 36799 1 315 . 1 . 1 70 70 LEU HD12 H 1 0.68 . . . . . . . A 70 LEU HD12 . 36799 1 316 . 1 . 1 70 70 LEU HD13 H 1 0.68 . . . . . . . A 70 LEU HD13 . 36799 1 317 . 1 . 1 70 70 LEU HD21 H 1 0.9 . . . . . . . A 70 LEU HD21 . 36799 1 318 . 1 . 1 70 70 LEU HD22 H 1 0.9 . . . . . . . A 70 LEU HD22 . 36799 1 319 . 1 . 1 70 70 LEU HD23 H 1 0.9 . . . . . . . A 70 LEU HD23 . 36799 1 320 . 1 . 1 70 70 LEU CA C 13 51.37 . . 1 . . . . A 70 LEU CA . 36799 1 321 . 1 . 1 70 70 LEU CB C 13 37.51 . . 1 . . . . A 70 LEU CB . 36799 1 322 . 1 . 1 70 70 LEU CD1 C 13 19.56 . . . . . . . A 70 LEU CD1 . 36799 1 323 . 1 . 1 70 70 LEU CD2 C 13 22.78 . . . . . . . A 70 LEU CD2 . 36799 1 324 . 1 . 1 70 70 LEU N N 15 111.6 . . 1 . . . . A 70 LEU N . 36799 1 325 . 1 . 1 71 71 ASP H H 1 7.97 . . 1 . . . . A 71 ASP H . 36799 1 326 . 1 . 1 71 71 ASP CA C 13 55.12 . . 1 . . . . A 71 ASP CA . 36799 1 327 . 1 . 1 71 71 ASP CB C 13 36.7 . . 1 . . . . A 71 ASP CB . 36799 1 328 . 1 . 1 71 71 ASP N N 15 123.38 . . 1 . . . . A 71 ASP N . 36799 1 329 . 1 . 1 72 72 SER H H 1 7.4 . . 1 . . . . A 72 SER H . 36799 1 330 . 1 . 1 72 72 SER CA C 13 54.51 . . 1 . . . . A 72 SER CA . 36799 1 331 . 1 . 1 72 72 SER CB C 13 59.85 . . 1 . . . . A 72 SER CB . 36799 1 332 . 1 . 1 72 72 SER N N 15 108.94 . . 1 . . . . A 72 SER N . 36799 1 333 . 1 . 1 73 73 GLY H H 1 7.6 . . 1 . . . . A 73 GLY H . 36799 1 334 . 1 . 1 73 73 GLY CA C 13 44.31 . . 1 . . . . A 73 GLY CA . 36799 1 335 . 1 . 1 73 73 GLY N N 15 111.27 . . 1 . . . . A 73 GLY N . 36799 1 336 . 1 . 1 74 74 LYS H H 1 8.83 . . 1 . . . . A 74 LYS H . 36799 1 337 . 1 . 1 74 74 LYS CA C 13 55.25 . . 1 . . . . A 74 LYS CA . 36799 1 338 . 1 . 1 74 74 LYS CB C 13 30.29 . . 1 . . . . A 74 LYS CB . 36799 1 339 . 1 . 1 74 74 LYS N N 15 126.98 . . 1 . . . . A 74 LYS N . 36799 1 340 . 1 . 1 75 75 GLU H H 1 7.58 . . 1 . . . . A 75 GLU H . 36799 1 341 . 1 . 1 75 75 GLU CA C 13 54.14 . . 1 . . . . A 75 GLU CA . 36799 1 342 . 1 . 1 75 75 GLU CB C 13 26.95 . . 1 . . . . A 75 GLU CB . 36799 1 343 . 1 . 1 75 75 GLU N N 15 116.51 . . 1 . . . . A 75 GLU N . 36799 1 344 . 1 . 1 76 76 LEU H H 1 8.61 . . 1 . . . . A 76 LEU H . 36799 1 345 . 1 . 1 76 76 LEU HD11 H 1 0.86 . . . . . . . A 76 LEU HD11 . 36799 1 346 . 1 . 1 76 76 LEU HD12 H 1 0.86 . . . . . . . A 76 LEU HD12 . 36799 1 347 . 1 . 1 76 76 LEU HD13 H 1 0.86 . . . . . . . A 76 LEU HD13 . 36799 1 348 . 1 . 1 76 76 LEU HD21 H 1 0.48 . . . . . . . A 76 LEU HD21 . 36799 1 349 . 1 . 1 76 76 LEU HD22 H 1 0.48 . . . . . . . A 76 LEU HD22 . 36799 1 350 . 1 . 1 76 76 LEU HD23 H 1 0.48 . . . . . . . A 76 LEU HD23 . 36799 1 351 . 1 . 1 76 76 LEU CA C 13 51.62 . . 1 . . . . A 76 LEU CA . 36799 1 352 . 1 . 1 76 76 LEU CB C 13 37.79 . . 1 . . . . A 76 LEU CB . 36799 1 353 . 1 . 1 76 76 LEU CD1 C 13 23.06 . . . . . . . A 76 LEU CD1 . 36799 1 354 . 1 . 1 76 76 LEU CD2 C 13 20.82 . . . . . . . A 76 LEU CD2 . 36799 1 355 . 1 . 1 76 76 LEU N N 15 127.16 . . 1 . . . . A 76 LEU N . 36799 1 356 . 1 . 1 77 77 HIS H H 1 7.6 . . 1 . . . . A 77 HIS H . 36799 1 357 . 1 . 1 77 77 HIS HD2 H 1 7.15514 . . 1 . . . . A 77 HIS HD2 . 36799 1 358 . 1 . 1 77 77 HIS HE1 H 1 7.76997 . . 1 . . . . A 77 HIS HE1 . 36799 1 359 . 1 . 1 77 77 HIS CA C 13 52.22 . . 1 . . . . A 77 HIS CA . 36799 1 360 . 1 . 1 77 77 HIS CB C 13 30 . . 1 . . . . A 77 HIS CB . 36799 1 361 . 1 . 1 77 77 HIS CD2 C 13 119.581 . . 1 . . . . A 77 HIS CD2 . 36799 1 362 . 1 . 1 77 77 HIS CE1 C 13 134.9549 . . 1 . . . . A 77 HIS CE1 . 36799 1 363 . 1 . 1 77 77 HIS N N 15 118.6 . . 1 . . . . A 77 HIS N . 36799 1 364 . 1 . 1 78 78 ILE H H 1 8.12 . . 1 . . . . A 78 ILE H . 36799 1 365 . 1 . 1 78 78 ILE HD11 H 1 0.66 . . 1 . . . . A 78 ILE HD11 . 36799 1 366 . 1 . 1 78 78 ILE HD12 H 1 0.66 . . 1 . . . . A 78 ILE HD12 . 36799 1 367 . 1 . 1 78 78 ILE HD13 H 1 0.66 . . 1 . . . . A 78 ILE HD13 . 36799 1 368 . 1 . 1 78 78 ILE CA C 13 58.08 . . 1 . . . . A 78 ILE CA . 36799 1 369 . 1 . 1 78 78 ILE CB C 13 37.9 . . 1 . . . . A 78 ILE CB . 36799 1 370 . 1 . 1 78 78 ILE CD1 C 13 11.82 . . 1 . . . . A 78 ILE CD1 . 36799 1 371 . 1 . 1 78 78 ILE N N 15 117.56 . . 1 . . . . A 78 ILE N . 36799 1 372 . 1 . 1 79 79 ASN H H 1 9.68 . . 1 . . . . A 79 ASN H . 36799 1 373 . 1 . 1 79 79 ASN CA C 13 48.7 . . 1 . . . . A 79 ASN CA . 36799 1 374 . 1 . 1 79 79 ASN CB C 13 39.54 . . 1 . . . . A 79 ASN CB . 36799 1 375 . 1 . 1 79 79 ASN N N 15 125.04 . . 1 . . . . A 79 ASN N . 36799 1 376 . 1 . 1 80 80 LEU H H 1 8.96 . . 1 . . . . A 80 LEU H . 36799 1 377 . 1 . 1 80 80 LEU HD11 H 1 0.73 . . . . . . . A 80 LEU HD11 . 36799 1 378 . 1 . 1 80 80 LEU HD12 H 1 0.73 . . . . . . . A 80 LEU HD12 . 36799 1 379 . 1 . 1 80 80 LEU HD13 H 1 0.73 . . . . . . . A 80 LEU HD13 . 36799 1 380 . 1 . 1 80 80 LEU HD21 H 1 0.63 . . . . . . . A 80 LEU HD21 . 36799 1 381 . 1 . 1 80 80 LEU HD22 H 1 0.63 . . . . . . . A 80 LEU HD22 . 36799 1 382 . 1 . 1 80 80 LEU HD23 H 1 0.63 . . . . . . . A 80 LEU HD23 . 36799 1 383 . 1 . 1 80 80 LEU CA C 13 51.03 . . 1 . . . . A 80 LEU CA . 36799 1 384 . 1 . 1 80 80 LEU CB C 13 41.69 . . 1 . . . . A 80 LEU CB . 36799 1 385 . 1 . 1 80 80 LEU CD1 C 13 22.78 . . . . . . . A 80 LEU CD1 . 36799 1 386 . 1 . 1 80 80 LEU CD2 C 13 23.87 . . . . . . . A 80 LEU CD2 . 36799 1 387 . 1 . 1 80 80 LEU N N 15 121.9 . . 1 . . . . A 80 LEU N . 36799 1 388 . 1 . 1 81 81 ILE H H 1 9.29 . . 1 . . . . A 81 ILE H . 36799 1 389 . 1 . 1 81 81 ILE HD11 H 1 0.62 . . 1 . . . . A 81 ILE HD11 . 36799 1 390 . 1 . 1 81 81 ILE HD12 H 1 0.62 . . 1 . . . . A 81 ILE HD12 . 36799 1 391 . 1 . 1 81 81 ILE HD13 H 1 0.62 . . 1 . . . . A 81 ILE HD13 . 36799 1 392 . 1 . 1 81 81 ILE CA C 13 56.63 . . 1 . . . . A 81 ILE CA . 36799 1 393 . 1 . 1 81 81 ILE CB C 13 38.67 . . 1 . . . . A 81 ILE CB . 36799 1 394 . 1 . 1 81 81 ILE CD1 C 13 12.28 . . 1 . . . . A 81 ILE CD1 . 36799 1 395 . 1 . 1 81 81 ILE N N 15 119.96 . . 1 . . . . A 81 ILE N . 36799 1 396 . 1 . 1 82 82 PRO CA C 13 59.89 . . 1 . . . . A 82 PRO CA . 36799 1 397 . 1 . 1 82 82 PRO CB C 13 30.34 . . 1 . . . . A 82 PRO CB . 36799 1 398 . 1 . 1 83 83 ASN H H 1 9.09 . . 1 . . . . A 83 ASN H . 36799 1 399 . 1 . 1 83 83 ASN CA C 13 50.31 . . 1 . . . . A 83 ASN CA . 36799 1 400 . 1 . 1 83 83 ASN CB C 13 37.23 . . 1 . . . . A 83 ASN CB . 36799 1 401 . 1 . 1 83 83 ASN N N 15 121.35 . . 1 . . . . A 83 ASN N . 36799 1 402 . 1 . 1 84 84 LYS H H 1 9.39 . . 1 . . . . A 84 LYS H . 36799 1 403 . 1 . 1 84 84 LYS CA C 13 57.19 . . 1 . . . . A 84 LYS CA . 36799 1 404 . 1 . 1 84 84 LYS CB C 13 29.82 . . 1 . . . . A 84 LYS CB . 36799 1 405 . 1 . 1 84 84 LYS N N 15 124.85 . . 1 . . . . A 84 LYS N . 36799 1 406 . 1 . 1 85 85 GLN H H 1 8.4 . . 1 . . . . A 85 GLN H . 36799 1 407 . 1 . 1 85 85 GLN CA C 13 56.68 . . 1 . . . . A 85 GLN CA . 36799 1 408 . 1 . 1 85 85 GLN CB C 13 25.36 . . 1 . . . . A 85 GLN CB . 36799 1 409 . 1 . 1 85 85 GLN N N 15 119.53 . . 1 . . . . A 85 GLN N . 36799 1 410 . 1 . 1 86 86 ASP H H 1 7.61 . . 1 . . . . A 86 ASP H . 36799 1 411 . 1 . 1 86 86 ASP CA C 13 51.19 . . 1 . . . . A 86 ASP CA . 36799 1 412 . 1 . 1 86 86 ASP CB C 13 38.16 . . 1 . . . . A 86 ASP CB . 36799 1 413 . 1 . 1 86 86 ASP N N 15 116.34 . . 1 . . . . A 86 ASP N . 36799 1 414 . 1 . 1 87 87 ARG H H 1 7.84 . . 1 . . . . A 87 ARG H . 36799 1 415 . 1 . 1 87 87 ARG CA C 13 54.78 . . 1 . . . . A 87 ARG CA . 36799 1 416 . 1 . 1 87 87 ARG CB C 13 26.68 . . 1 . . . . A 87 ARG CB . 36799 1 417 . 1 . 1 87 87 ARG N N 15 120.31 . . 1 . . . . A 87 ARG N . 36799 1 418 . 1 . 1 88 88 THR H H 1 8 . . 1 . . . . A 88 THR H . 36799 1 419 . 1 . 1 88 88 THR HG21 H 1 0.55 . . 1 . . . . A 88 THR HG21 . 36799 1 420 . 1 . 1 88 88 THR HG22 H 1 0.55 . . 1 . . . . A 88 THR HG22 . 36799 1 421 . 1 . 1 88 88 THR HG23 H 1 0.55 . . 1 . . . . A 88 THR HG23 . 36799 1 422 . 1 . 1 88 88 THR CA C 13 55.46 . . 1 . . . . A 88 THR CA . 36799 1 423 . 1 . 1 88 88 THR CB C 13 70.39 . . 1 . . . . A 88 THR CB . 36799 1 424 . 1 . 1 88 88 THR CG2 C 13 17.93 . . 1 . . . . A 88 THR CG2 . 36799 1 425 . 1 . 1 88 88 THR N N 15 106.03 . . 1 . . . . A 88 THR N . 36799 1 426 . 1 . 1 89 89 LEU H H 1 8.35 . . 1 . . . . A 89 LEU H . 36799 1 427 . 1 . 1 89 89 LEU HD11 H 1 1.04 . . . . . . . A 89 LEU HD11 . 36799 1 428 . 1 . 1 89 89 LEU HD12 H 1 1.04 . . . . . . . A 89 LEU HD12 . 36799 1 429 . 1 . 1 89 89 LEU HD13 H 1 1.04 . . . . . . . A 89 LEU HD13 . 36799 1 430 . 1 . 1 89 89 LEU HD21 H 1 0.79 . . . . . . . A 89 LEU HD21 . 36799 1 431 . 1 . 1 89 89 LEU HD22 H 1 0.79 . . . . . . . A 89 LEU HD22 . 36799 1 432 . 1 . 1 89 89 LEU HD23 H 1 0.79 . . . . . . . A 89 LEU HD23 . 36799 1 433 . 1 . 1 89 89 LEU CA C 13 51.31 . . 1 . . . . A 89 LEU CA . 36799 1 434 . 1 . 1 89 89 LEU CB C 13 42.44 . . 1 . . . . A 89 LEU CB . 36799 1 435 . 1 . 1 89 89 LEU CD1 C 13 22.89 . . . . . . . A 89 LEU CD1 . 36799 1 436 . 1 . 1 89 89 LEU CD2 C 13 19.39 . . . . . . . A 89 LEU CD2 . 36799 1 437 . 1 . 1 89 89 LEU N N 15 122.07 . . 1 . . . . A 89 LEU N . 36799 1 438 . 1 . 1 90 90 THR H H 1 8 . . 1 . . . . A 90 THR H . 36799 1 439 . 1 . 1 90 90 THR HG21 H 1 0.95 . . 1 . . . . A 90 THR HG21 . 36799 1 440 . 1 . 1 90 90 THR HG22 H 1 0.95 . . 1 . . . . A 90 THR HG22 . 36799 1 441 . 1 . 1 90 90 THR HG23 H 1 0.95 . . 1 . . . . A 90 THR HG23 . 36799 1 442 . 1 . 1 90 90 THR CA C 13 59.42 . . 1 . . . . A 90 THR CA . 36799 1 443 . 1 . 1 90 90 THR CB C 13 67.42 . . 1 . . . . A 90 THR CB . 36799 1 444 . 1 . 1 90 90 THR CG2 C 13 18.96 . . 1 . . . . A 90 THR CG2 . 36799 1 445 . 1 . 1 90 90 THR N N 15 123.9 . . 1 . . . . A 90 THR N . 36799 1 446 . 1 . 1 91 91 ILE H H 1 9.38 . . 1 . . . . A 91 ILE H . 36799 1 447 . 1 . 1 91 91 ILE HD11 H 1 0.7 . . 1 . . . . A 91 ILE HD11 . 36799 1 448 . 1 . 1 91 91 ILE HD12 H 1 0.7 . . 1 . . . . A 91 ILE HD12 . 36799 1 449 . 1 . 1 91 91 ILE HD13 H 1 0.7 . . 1 . . . . A 91 ILE HD13 . 36799 1 450 . 1 . 1 91 91 ILE CA C 13 58.12 . . 1 . . . . A 91 ILE CA . 36799 1 451 . 1 . 1 91 91 ILE CB C 13 37.21 . . 1 . . . . A 91 ILE CB . 36799 1 452 . 1 . 1 91 91 ILE CD1 C 13 13.33 . . 1 . . . . A 91 ILE CD1 . 36799 1 453 . 1 . 1 91 91 ILE N N 15 127.61 . . 1 . . . . A 91 ILE N . 36799 1 454 . 1 . 1 92 92 VAL H H 1 9.57 . . 1 . . . . A 92 VAL H . 36799 1 455 . 1 . 1 92 92 VAL HG11 H 1 0.82 . . . . . . . A 92 VAL HG11 . 36799 1 456 . 1 . 1 92 92 VAL HG12 H 1 0.82 . . . . . . . A 92 VAL HG12 . 36799 1 457 . 1 . 1 92 92 VAL HG13 H 1 0.82 . . . . . . . A 92 VAL HG13 . 36799 1 458 . 1 . 1 92 92 VAL HG21 H 1 0.84 . . . . . . . A 92 VAL HG21 . 36799 1 459 . 1 . 1 92 92 VAL HG22 H 1 0.84 . . . . . . . A 92 VAL HG22 . 36799 1 460 . 1 . 1 92 92 VAL HG23 H 1 0.84 . . . . . . . A 92 VAL HG23 . 36799 1 461 . 1 . 1 92 92 VAL CA C 13 58.07 . . 1 . . . . A 92 VAL CA . 36799 1 462 . 1 . 1 92 92 VAL CB C 13 32.01 . . 1 . . . . A 92 VAL CB . 36799 1 463 . 1 . 1 92 92 VAL CG1 C 13 19.41 . . . . . . . A 92 VAL CG1 . 36799 1 464 . 1 . 1 92 92 VAL CG2 C 13 18.36 . . . . . . . A 92 VAL CG2 . 36799 1 465 . 1 . 1 92 92 VAL N N 15 129.49 . . 1 . . . . A 92 VAL N . 36799 1 466 . 1 . 1 93 93 ASP H H 1 9.41 . . 1 . . . . A 93 ASP H . 36799 1 467 . 1 . 1 93 93 ASP CA C 13 50.31 . . 1 . . . . A 93 ASP CA . 36799 1 468 . 1 . 1 93 93 ASP CB C 13 43.87 . . 1 . . . . A 93 ASP CB . 36799 1 469 . 1 . 1 93 93 ASP N N 15 123.23 . . 1 . . . . A 93 ASP N . 36799 1 470 . 1 . 1 94 94 THR H H 1 7.18 . . 1 . . . . A 94 THR H . 36799 1 471 . 1 . 1 94 94 THR HG21 H 1 1.03 . . 1 . . . . A 94 THR HG21 . 36799 1 472 . 1 . 1 94 94 THR HG22 H 1 1.03 . . 1 . . . . A 94 THR HG22 . 36799 1 473 . 1 . 1 94 94 THR HG23 H 1 1.03 . . 1 . . . . A 94 THR HG23 . 36799 1 474 . 1 . 1 94 94 THR CA C 13 56.54 . . 1 . . . . A 94 THR CA . 36799 1 475 . 1 . 1 94 94 THR CB C 13 63.93 . . 1 . . . . A 94 THR CB . 36799 1 476 . 1 . 1 94 94 THR CG2 C 13 20.7 . . 1 . . . . A 94 THR CG2 . 36799 1 477 . 1 . 1 94 94 THR N N 15 108.83 . . 1 . . . . A 94 THR N . 36799 1 478 . 1 . 1 95 95 GLY H H 1 9.5 . . 1 . . . . A 95 GLY H . 36799 1 479 . 1 . 1 95 95 GLY CA C 13 42.06 . . 1 . . . . A 95 GLY CA . 36799 1 480 . 1 . 1 95 95 GLY N N 15 108.75 . . 1 . . . . A 95 GLY N . 36799 1 481 . 1 . 1 96 96 ILE H H 1 6.79 . . 1 . . . . A 96 ILE H . 36799 1 482 . 1 . 1 96 96 ILE HD11 H 1 0.73 . . 1 . . . . A 96 ILE HD11 . 36799 1 483 . 1 . 1 96 96 ILE HD12 H 1 0.73 . . 1 . . . . A 96 ILE HD12 . 36799 1 484 . 1 . 1 96 96 ILE HD13 H 1 0.73 . . 1 . . . . A 96 ILE HD13 . 36799 1 485 . 1 . 1 96 96 ILE CA C 13 60.28 . . 1 . . . . A 96 ILE CA . 36799 1 486 . 1 . 1 96 96 ILE CB C 13 37.53 . . 1 . . . . A 96 ILE CB . 36799 1 487 . 1 . 1 96 96 ILE CD1 C 13 12.72 . . 1 . . . . A 96 ILE CD1 . 36799 1 488 . 1 . 1 96 96 ILE N N 15 115.67 . . 1 . . . . A 96 ILE N . 36799 1 489 . 1 . 1 97 97 GLY H H 1 7.65 . . 1 . . . . A 97 GLY H . 36799 1 490 . 1 . 1 97 97 GLY CA C 13 41.38 . . 1 . . . . A 97 GLY CA . 36799 1 491 . 1 . 1 97 97 GLY N N 15 103.52 . . 1 . . . . A 97 GLY N . 36799 1 492 . 1 . 1 98 98 MET H H 1 7.67 . . 1 . . . . A 98 MET H . 36799 1 493 . 1 . 1 98 98 MET HE1 H 1 1.61 . . 1 . . . . A 98 MET HE1 . 36799 1 494 . 1 . 1 98 98 MET HE2 H 1 1.61 . . 1 . . . . A 98 MET HE2 . 36799 1 495 . 1 . 1 98 98 MET HE3 H 1 1.61 . . 1 . . . . A 98 MET HE3 . 36799 1 496 . 1 . 1 98 98 MET CA C 13 52.92 . . 1 . . . . A 98 MET CA . 36799 1 497 . 1 . 1 98 98 MET CB C 13 34.71 . . 1 . . . . A 98 MET CB . 36799 1 498 . 1 . 1 98 98 MET CE C 13 14.91 . . 1 . . . . A 98 MET CE . 36799 1 499 . 1 . 1 98 98 MET N N 15 116.78 . . 1 . . . . A 98 MET N . 36799 1 500 . 1 . 1 99 99 THR H H 1 8.12 . . 1 . . . . A 99 THR H . 36799 1 501 . 1 . 1 99 99 THR HG21 H 1 0.56 . . 1 . . . . A 99 THR HG21 . 36799 1 502 . 1 . 1 99 99 THR HG22 H 1 0.56 . . 1 . . . . A 99 THR HG22 . 36799 1 503 . 1 . 1 99 99 THR HG23 H 1 0.56 . . 1 . . . . A 99 THR HG23 . 36799 1 504 . 1 . 1 99 99 THR CA C 13 58.5 . . 1 . . . . A 99 THR CA . 36799 1 505 . 1 . 1 99 99 THR CB C 13 68.2 . . 1 . . . . A 99 THR CB . 36799 1 506 . 1 . 1 99 99 THR CG2 C 13 18.1 . . 1 . . . . A 99 THR CG2 . 36799 1 507 . 1 . 1 99 99 THR N N 15 111.93 . . 1 . . . . A 99 THR N . 36799 1 508 . 1 . 1 100 100 LYS CA C 13 58.46 . . 1 . . . . A 100 LYS CA . 36799 1 509 . 1 . 1 100 100 LYS CB C 13 28.64 . . 1 . . . . A 100 LYS CB . 36799 1 510 . 1 . 1 101 101 ALA H H 1 7.82 . . 1 . . . . A 101 ALA H . 36799 1 511 . 1 . 1 101 101 ALA HB1 H 1 1.11 . . 1 . . . . A 101 ALA HB1 . 36799 1 512 . 1 . 1 101 101 ALA HB2 H 1 1.11 . . 1 . . . . A 101 ALA HB2 . 36799 1 513 . 1 . 1 101 101 ALA HB3 H 1 1.11 . . 1 . . . . A 101 ALA HB3 . 36799 1 514 . 1 . 1 101 101 ALA CA C 13 52.24 . . 1 . . . . A 101 ALA CA . 36799 1 515 . 1 . 1 101 101 ALA CB C 13 15.04 . . 1 . . . . A 101 ALA CB . 36799 1 516 . 1 . 1 101 101 ALA N N 15 116.55 . . 1 . . . . A 101 ALA N . 36799 1 517 . 1 . 1 102 102 ASP H H 1 7.39 . . 1 . . . . A 102 ASP H . 36799 1 518 . 1 . 1 102 102 ASP CA C 13 54.77 . . 1 . . . . A 102 ASP CA . 36799 1 519 . 1 . 1 102 102 ASP CB C 13 37.84 . . 1 . . . . A 102 ASP CB . 36799 1 520 . 1 . 1 102 102 ASP N N 15 117.58 . . 1 . . . . A 102 ASP N . 36799 1 521 . 1 . 1 103 103 LEU H H 1 7.99 . . 1 . . . . A 103 LEU H . 36799 1 522 . 1 . 1 103 103 LEU HD11 H 1 0.63 . . . . . . . A 103 LEU HD11 . 36799 1 523 . 1 . 1 103 103 LEU HD12 H 1 0.63 . . . . . . . A 103 LEU HD12 . 36799 1 524 . 1 . 1 103 103 LEU HD13 H 1 0.63 . . . . . . . A 103 LEU HD13 . 36799 1 525 . 1 . 1 103 103 LEU HD21 H 1 0.62 . . . . . . . A 103 LEU HD21 . 36799 1 526 . 1 . 1 103 103 LEU HD22 H 1 0.62 . . . . . . . A 103 LEU HD22 . 36799 1 527 . 1 . 1 103 103 LEU HD23 H 1 0.62 . . . . . . . A 103 LEU HD23 . 36799 1 528 . 1 . 1 103 103 LEU CA C 13 55.43 . . 1 . . . . A 103 LEU CA . 36799 1 529 . 1 . 1 103 103 LEU CB C 13 40.08 . . 1 . . . . A 103 LEU CB . 36799 1 530 . 1 . 1 103 103 LEU CD1 C 13 22.74 . . . . . . . A 103 LEU CD1 . 36799 1 531 . 1 . 1 103 103 LEU CD2 C 13 21.38 . . . . . . . A 103 LEU CD2 . 36799 1 532 . 1 . 1 103 103 LEU N N 15 120.74 . . 1 . . . . A 103 LEU N . 36799 1 533 . 1 . 1 104 104 ILE H H 1 7.49 . . 1 . . . . A 104 ILE H . 36799 1 534 . 1 . 1 104 104 ILE HD11 H 1 0.47 . . 1 . . . . A 104 ILE HD11 . 36799 1 535 . 1 . 1 104 104 ILE HD12 H 1 0.47 . . 1 . . . . A 104 ILE HD12 . 36799 1 536 . 1 . 1 104 104 ILE HD13 H 1 0.47 . . 1 . . . . A 104 ILE HD13 . 36799 1 537 . 1 . 1 104 104 ILE CA C 13 62.5 . . 1 . . . . A 104 ILE CA . 36799 1 538 . 1 . 1 104 104 ILE CB C 13 35.8 . . 1 . . . . A 104 ILE CB . 36799 1 539 . 1 . 1 104 104 ILE CD1 C 13 11.78 . . 1 . . . . A 104 ILE CD1 . 36799 1 540 . 1 . 1 104 104 ILE N N 15 115.85 . . 1 . . . . A 104 ILE N . 36799 1 541 . 1 . 1 107 107 LEU HD11 H 1 -0.9 . . . . . . . A 107 LEU HD11 . 36799 1 542 . 1 . 1 107 107 LEU HD12 H 1 -0.9 . . . . . . . A 107 LEU HD12 . 36799 1 543 . 1 . 1 107 107 LEU HD13 H 1 -0.9 . . . . . . . A 107 LEU HD13 . 36799 1 544 . 1 . 1 107 107 LEU HD21 H 1 -0.67 . . . . . . . A 107 LEU HD21 . 36799 1 545 . 1 . 1 107 107 LEU HD22 H 1 -0.67 . . . . . . . A 107 LEU HD22 . 36799 1 546 . 1 . 1 107 107 LEU HD23 H 1 -0.67 . . . . . . . A 107 LEU HD23 . 36799 1 547 . 1 . 1 107 107 LEU CD1 C 13 19.43 . . . . . . . A 107 LEU CD1 . 36799 1 548 . 1 . 1 107 107 LEU CD2 C 13 20.64 . . . . . . . A 107 LEU CD2 . 36799 1 549 . 1 . 1 109 109 THR HG21 H 1 1.29 . . 1 . . . . A 109 THR HG21 . 36799 1 550 . 1 . 1 109 109 THR HG22 H 1 1.29 . . 1 . . . . A 109 THR HG22 . 36799 1 551 . 1 . 1 109 109 THR HG23 H 1 1.29 . . 1 . . . . A 109 THR HG23 . 36799 1 552 . 1 . 1 109 109 THR CG2 C 13 19.14 . . 1 . . . . A 109 THR CG2 . 36799 1 553 . 1 . 1 110 110 ILE HD11 H 1 0.7 . . 1 . . . . A 110 ILE HD11 . 36799 1 554 . 1 . 1 110 110 ILE HD12 H 1 0.7 . . 1 . . . . A 110 ILE HD12 . 36799 1 555 . 1 . 1 110 110 ILE HD13 H 1 0.7 . . 1 . . . . A 110 ILE HD13 . 36799 1 556 . 1 . 1 110 110 ILE CD1 C 13 10.12 . . 1 . . . . A 110 ILE CD1 . 36799 1 557 . 1 . 1 111 111 ALA HB1 H 1 1.26 . . 1 . . . . A 111 ALA HB1 . 36799 1 558 . 1 . 1 111 111 ALA HB2 H 1 1.26 . . 1 . . . . A 111 ALA HB2 . 36799 1 559 . 1 . 1 111 111 ALA HB3 H 1 1.26 . . 1 . . . . A 111 ALA HB3 . 36799 1 560 . 1 . 1 111 111 ALA CB C 13 15.88 . . 1 . . . . A 111 ALA CB . 36799 1 561 . 1 . 1 113 113 SER CA C 13 57.61 . . 1 . . . . A 113 SER CA . 36799 1 562 . 1 . 1 113 113 SER CB C 13 60.68 . . 1 . . . . A 113 SER CB . 36799 1 563 . 1 . 1 114 114 GLY H H 1 8.41 . . 1 . . . . A 114 GLY H . 36799 1 564 . 1 . 1 114 114 GLY CA C 13 44.4 . . 1 . . . . A 114 GLY CA . 36799 1 565 . 1 . 1 114 114 GLY N N 15 110.9 . . 1 . . . . A 114 GLY N . 36799 1 566 . 1 . 1 116 116 LYS CA C 13 56.86 . . 1 . . . . A 116 LYS CA . 36799 1 567 . 1 . 1 116 116 LYS CB C 13 29.3 . . 1 . . . . A 116 LYS CB . 36799 1 568 . 1 . 1 117 117 ALA H H 1 8 . . 1 . . . . A 117 ALA H . 36799 1 569 . 1 . 1 117 117 ALA HB1 H 1 1.52 . . 1 . . . . A 117 ALA HB1 . 36799 1 570 . 1 . 1 117 117 ALA HB2 H 1 1.52 . . 1 . . . . A 117 ALA HB2 . 36799 1 571 . 1 . 1 117 117 ALA HB3 H 1 1.52 . . 1 . . . . A 117 ALA HB3 . 36799 1 572 . 1 . 1 117 117 ALA CA C 13 52.19 . . 1 . . . . A 117 ALA CA . 36799 1 573 . 1 . 1 117 117 ALA CB C 13 15.43 . . 1 . . . . A 117 ALA CB . 36799 1 574 . 1 . 1 117 117 ALA N N 15 120.95 . . 1 . . . . A 117 ALA N . 36799 1 575 . 1 . 1 118 118 PHE HD1 H 1 7.18613 . . . . . . . A 118 PHE HD1 . 36799 1 576 . 1 . 1 118 118 PHE HE1 H 1 7.19367 . . . . . . . A 118 PHE HE1 . 36799 1 577 . 1 . 1 118 118 PHE CA C 13 56.92 . . 1 . . . . A 118 PHE CA . 36799 1 578 . 1 . 1 118 118 PHE CB C 13 35.55 . . 1 . . . . A 118 PHE CB . 36799 1 579 . 1 . 1 119 119 MET H H 1 7.77 . . 1 . . . . A 119 MET H . 36799 1 580 . 1 . 1 119 119 MET HE1 H 1 1.92 . . 1 . . . . A 119 MET HE1 . 36799 1 581 . 1 . 1 119 119 MET HE2 H 1 1.92 . . 1 . . . . A 119 MET HE2 . 36799 1 582 . 1 . 1 119 119 MET HE3 H 1 1.92 . . 1 . . . . A 119 MET HE3 . 36799 1 583 . 1 . 1 119 119 MET CA C 13 56.92 . . 1 . . . . A 119 MET CA . 36799 1 584 . 1 . 1 119 119 MET CE C 13 14.17 . . 1 . . . . A 119 MET CE . 36799 1 585 . 1 . 1 119 119 MET N N 15 117.36 . . 1 . . . . A 119 MET N . 36799 1 586 . 1 . 1 120 120 GLU H H 1 7.91 . . 1 . . . . A 120 GLU H . 36799 1 587 . 1 . 1 120 120 GLU CA C 13 56.83 . . 1 . . . . A 120 GLU CA . 36799 1 588 . 1 . 1 120 120 GLU CB C 13 26.31 . . 1 . . . . A 120 GLU CB . 36799 1 589 . 1 . 1 120 120 GLU N N 15 118.32 . . 1 . . . . A 120 GLU N . 36799 1 590 . 1 . 1 121 121 ALA H H 1 7.72 . . 1 . . . . A 121 ALA H . 36799 1 591 . 1 . 1 121 121 ALA HB1 H 1 1.21 . . 1 . . . . A 121 ALA HB1 . 36799 1 592 . 1 . 1 121 121 ALA HB2 H 1 1.21 . . 1 . . . . A 121 ALA HB2 . 36799 1 593 . 1 . 1 121 121 ALA HB3 H 1 1.21 . . 1 . . . . A 121 ALA HB3 . 36799 1 594 . 1 . 1 121 121 ALA CA C 13 52.57 . . 1 . . . . A 121 ALA CA . 36799 1 595 . 1 . 1 121 121 ALA CB C 13 14.35 . . 1 . . . . A 121 ALA CB . 36799 1 596 . 1 . 1 121 121 ALA N N 15 123.4 . . 1 . . . . A 121 ALA N . 36799 1 597 . 1 . 1 122 122 LEU HD11 H 1 0.33 . . . . . . . A 122 LEU HD11 . 36799 1 598 . 1 . 1 122 122 LEU HD12 H 1 0.33 . . . . . . . A 122 LEU HD12 . 36799 1 599 . 1 . 1 122 122 LEU HD13 H 1 0.33 . . . . . . . A 122 LEU HD13 . 36799 1 600 . 1 . 1 122 122 LEU HD21 H 1 0.26 . . . . . . . A 122 LEU HD21 . 36799 1 601 . 1 . 1 122 122 LEU HD22 H 1 0.26 . . . . . . . A 122 LEU HD22 . 36799 1 602 . 1 . 1 122 122 LEU HD23 H 1 0.26 . . . . . . . A 122 LEU HD23 . 36799 1 603 . 1 . 1 122 122 LEU CD1 C 13 19.96 . . . . . . . A 122 LEU CD1 . 36799 1 604 . 1 . 1 122 122 LEU CD2 C 13 22.94 . . . . . . . A 122 LEU CD2 . 36799 1 605 . 1 . 1 123 123 GLN H H 1 7.78 . . 1 . . . . A 123 GLN H . 36799 1 606 . 1 . 1 123 123 GLN CA C 13 55.77 . . 1 . . . . A 123 GLN CA . 36799 1 607 . 1 . 1 123 123 GLN CB C 13 25.42 . . 1 . . . . A 123 GLN CB . 36799 1 608 . 1 . 1 123 123 GLN N N 15 118.95 . . 1 . . . . A 123 GLN N . 36799 1 609 . 1 . 1 124 124 ALA H H 1 7.39 . . 1 . . . . A 124 ALA H . 36799 1 610 . 1 . 1 124 124 ALA HB1 H 1 1.39 . . 1 . . . . A 124 ALA HB1 . 36799 1 611 . 1 . 1 124 124 ALA HB2 H 1 1.39 . . 1 . . . . A 124 ALA HB2 . 36799 1 612 . 1 . 1 124 124 ALA HB3 H 1 1.39 . . 1 . . . . A 124 ALA HB3 . 36799 1 613 . 1 . 1 124 124 ALA CA C 13 49.56 . . 1 . . . . A 124 ALA CA . 36799 1 614 . 1 . 1 124 124 ALA CB C 13 15.99 . . 1 . . . . A 124 ALA CB . 36799 1 615 . 1 . 1 124 124 ALA N N 15 120.05 . . 1 . . . . A 124 ALA N . 36799 1 616 . 1 . 1 125 125 GLY H H 1 7.61 . . 1 . . . . A 125 GLY H . 36799 1 617 . 1 . 1 125 125 GLY CA C 13 43.02 . . 1 . . . . A 125 GLY CA . 36799 1 618 . 1 . 1 125 125 GLY N N 15 106.11 . . 1 . . . . A 125 GLY N . 36799 1 619 . 1 . 1 126 126 ALA H H 1 8 . . 1 . . . . A 126 ALA H . 36799 1 620 . 1 . 1 126 126 ALA HB1 H 1 1.14 . . 1 . . . . A 126 ALA HB1 . 36799 1 621 . 1 . 1 126 126 ALA HB2 H 1 1.14 . . 1 . . . . A 126 ALA HB2 . 36799 1 622 . 1 . 1 126 126 ALA HB3 H 1 1.14 . . 1 . . . . A 126 ALA HB3 . 36799 1 623 . 1 . 1 126 126 ALA CA C 13 49.96 . . 1 . . . . A 126 ALA CA . 36799 1 624 . 1 . 1 126 126 ALA CB C 13 16.48 . . 1 . . . . A 126 ALA CB . 36799 1 625 . 1 . 1 126 126 ALA N N 15 123.04 . . 1 . . . . A 126 ALA N . 36799 1 626 . 1 . 1 127 127 ASP H H 1 8.04 . . 1 . . . . A 127 ASP H . 36799 1 627 . 1 . 1 127 127 ASP CA C 13 51.33 . . 1 . . . . A 127 ASP CA . 36799 1 628 . 1 . 1 127 127 ASP CB C 13 41.24 . . 1 . . . . A 127 ASP CB . 36799 1 629 . 1 . 1 127 127 ASP N N 15 118.43 . . 1 . . . . A 127 ASP N . 36799 1 630 . 1 . 1 128 128 ILE HD11 H 1 0.57 . . 1 . . . . A 128 ILE HD11 . 36799 1 631 . 1 . 1 128 128 ILE HD12 H 1 0.57 . . 1 . . . . A 128 ILE HD12 . 36799 1 632 . 1 . 1 128 128 ILE HD13 H 1 0.57 . . 1 . . . . A 128 ILE HD13 . 36799 1 633 . 1 . 1 128 128 ILE CD1 C 13 10.61 . . 1 . . . . A 128 ILE CD1 . 36799 1 634 . 1 . 1 129 129 SER H H 1 8.46 . . 1 . . . . A 129 SER H . 36799 1 635 . 1 . 1 129 129 SER CA C 13 58.43 . . 1 . . . . A 129 SER CA . 36799 1 636 . 1 . 1 129 129 SER CB C 13 60.46 . . 1 . . . . A 129 SER CB . 36799 1 637 . 1 . 1 129 129 SER N N 15 114.5 . . 1 . . . . A 129 SER N . 36799 1 638 . 1 . 1 130 130 MET H H 1 7.92 . . 1 . . . . A 130 MET H . 36799 1 639 . 1 . 1 130 130 MET HE1 H 1 2.07 . . 1 . . . . A 130 MET HE1 . 36799 1 640 . 1 . 1 130 130 MET HE2 H 1 2.07 . . 1 . . . . A 130 MET HE2 . 36799 1 641 . 1 . 1 130 130 MET HE3 H 1 2.07 . . 1 . . . . A 130 MET HE3 . 36799 1 642 . 1 . 1 130 130 MET CA C 13 53.91 . . 1 . . . . A 130 MET CA . 36799 1 643 . 1 . 1 130 130 MET CB C 13 30.02 . . 1 . . . . A 130 MET CB . 36799 1 644 . 1 . 1 130 130 MET CE C 13 14.43 . . 1 . . . . A 130 MET CE . 36799 1 645 . 1 . 1 130 130 MET N N 15 120 . . 1 . . . . A 130 MET N . 36799 1 646 . 1 . 1 131 131 ILE H H 1 7.73 . . 1 . . . . A 131 ILE H . 36799 1 647 . 1 . 1 131 131 ILE HD11 H 1 0.55 . . 1 . . . . A 131 ILE HD11 . 36799 1 648 . 1 . 1 131 131 ILE HD12 H 1 0.55 . . 1 . . . . A 131 ILE HD12 . 36799 1 649 . 1 . 1 131 131 ILE HD13 H 1 0.55 . . 1 . . . . A 131 ILE HD13 . 36799 1 650 . 1 . 1 131 131 ILE CA C 13 62.54 . . 1 . . . . A 131 ILE CA . 36799 1 651 . 1 . 1 131 131 ILE CD1 C 13 11.68 . . 1 . . . . A 131 ILE CD1 . 36799 1 652 . 1 . 1 131 131 ILE N N 15 118.89 . . 1 . . . . A 131 ILE N . 36799 1 653 . 1 . 1 134 134 PHE HD1 H 1 7.19973 . . . . . . . A 134 PHE HD1 . 36799 1 654 . 1 . 1 134 134 PHE HE1 H 1 7.2003 . . . . . . . A 134 PHE HE1 . 36799 1 655 . 1 . 1 134 134 PHE CD1 C 13 129.89313 . . . . . . . A 134 PHE CD1 . 36799 1 656 . 1 . 1 136 136 VAL HG11 H 1 0.8 . . . . . . . A 136 VAL HG11 . 36799 1 657 . 1 . 1 136 136 VAL HG12 H 1 0.8 . . . . . . . A 136 VAL HG12 . 36799 1 658 . 1 . 1 136 136 VAL HG13 H 1 0.8 . . . . . . . A 136 VAL HG13 . 36799 1 659 . 1 . 1 136 136 VAL HG21 H 1 0.47 . . . . . . . A 136 VAL HG21 . 36799 1 660 . 1 . 1 136 136 VAL HG22 H 1 0.47 . . . . . . . A 136 VAL HG22 . 36799 1 661 . 1 . 1 136 136 VAL HG23 H 1 0.47 . . . . . . . A 136 VAL HG23 . 36799 1 662 . 1 . 1 136 136 VAL CA C 13 57.48 . . 1 . . . . A 136 VAL CA . 36799 1 663 . 1 . 1 136 136 VAL CG1 C 13 19.66 . . . . . . . A 136 VAL CG1 . 36799 1 664 . 1 . 1 136 136 VAL CG2 C 13 15.79 . . . . . . . A 136 VAL CG2 . 36799 1 665 . 1 . 1 137 137 GLY H H 1 8.74 . . 1 . . . . A 137 GLY H . 36799 1 666 . 1 . 1 137 137 GLY CA C 13 44.91 . . 1 . . . . A 137 GLY CA . 36799 1 667 . 1 . 1 137 137 GLY N N 15 107.52 . . 1 . . . . A 137 GLY N . 36799 1 668 . 1 . 1 138 138 PHE H H 1 9.1 . . 1 . . . . A 138 PHE H . 36799 1 669 . 1 . 1 138 138 PHE HD1 H 1 7.66511 . . . . . . . A 138 PHE HD1 . 36799 1 670 . 1 . 1 138 138 PHE HE1 H 1 6.02928 . . . . . . . A 138 PHE HE1 . 36799 1 671 . 1 . 1 138 138 PHE CA C 13 58.78 . . 1 . . . . A 138 PHE CA . 36799 1 672 . 1 . 1 138 138 PHE CD1 C 13 130.56111 . . . . . . . A 138 PHE CD1 . 36799 1 673 . 1 . 1 138 138 PHE CE1 C 13 128.6171 . . . . . . . A 138 PHE CE1 . 36799 1 674 . 1 . 1 138 138 PHE N N 15 123.46 . . 1 . . . . A 138 PHE N . 36799 1 675 . 1 . 1 139 139 TYR HD1 H 1 6.86683 . . . . . . . A 139 TYR HD1 . 36799 1 676 . 1 . 1 139 139 TYR HE1 H 1 6.65895 . . . . . . . A 139 TYR HE1 . 36799 1 677 . 1 . 1 139 139 TYR HE2 H 1 6.86638 . . . . . . . A 139 TYR HE2 . 36799 1 678 . 1 . 1 139 139 TYR CD1 C 13 129.04826 . . . . . . . A 139 TYR CD1 . 36799 1 679 . 1 . 1 139 139 TYR CE1 C 13 115.67384 . . . . . . . A 139 TYR CE1 . 36799 1 680 . 1 . 1 141 141 ALA H H 1 8 . . 1 . . . . A 141 ALA H . 36799 1 681 . 1 . 1 141 141 ALA HB1 H 1 0.7 . . 1 . . . . A 141 ALA HB1 . 36799 1 682 . 1 . 1 141 141 ALA HB2 H 1 0.7 . . 1 . . . . A 141 ALA HB2 . 36799 1 683 . 1 . 1 141 141 ALA HB3 H 1 0.7 . . 1 . . . . A 141 ALA HB3 . 36799 1 684 . 1 . 1 141 141 ALA CA C 13 52.72 . . 1 . . . . A 141 ALA CA . 36799 1 685 . 1 . 1 141 141 ALA CB C 13 15.81 . . 1 . . . . A 141 ALA CB . 36799 1 686 . 1 . 1 141 141 ALA N N 15 124.94 . . 1 . . . . A 141 ALA N . 36799 1 687 . 1 . 1 142 142 TYR H H 1 7.3 . . 1 . . . . A 142 TYR H . 36799 1 688 . 1 . 1 142 142 TYR HD1 H 1 7.53898 . . . . . . . A 142 TYR HD1 . 36799 1 689 . 1 . 1 142 142 TYR HE1 H 1 6.61674 . . . . . . . A 142 TYR HE1 . 36799 1 690 . 1 . 1 142 142 TYR CA C 13 58.57 . . 1 . . . . A 142 TYR CA . 36799 1 691 . 1 . 1 142 142 TYR CB C 13 33.74 . . 1 . . . . A 142 TYR CB . 36799 1 692 . 1 . 1 142 142 TYR CD1 C 13 129.85512 . . . . . . . A 142 TYR CD1 . 36799 1 693 . 1 . 1 142 142 TYR CE1 C 13 114.50508 . . . . . . . A 142 TYR CE1 . 36799 1 694 . 1 . 1 142 142 TYR N N 15 111.81 . . 1 . . . . A 142 TYR N . 36799 1 695 . 1 . 1 143 143 LEU H H 1 7.99 . . 1 . . . . A 143 LEU H . 36799 1 696 . 1 . 1 143 143 LEU HD11 H 1 0.94 . . . . . . . A 143 LEU HD11 . 36799 1 697 . 1 . 1 143 143 LEU HD12 H 1 0.94 . . . . . . . A 143 LEU HD12 . 36799 1 698 . 1 . 1 143 143 LEU HD13 H 1 0.94 . . . . . . . A 143 LEU HD13 . 36799 1 699 . 1 . 1 143 143 LEU HD21 H 1 0.9 . . . . . . . A 143 LEU HD21 . 36799 1 700 . 1 . 1 143 143 LEU HD22 H 1 0.9 . . . . . . . A 143 LEU HD22 . 36799 1 701 . 1 . 1 143 143 LEU HD23 H 1 0.9 . . . . . . . A 143 LEU HD23 . 36799 1 702 . 1 . 1 143 143 LEU CA C 13 55.33 . . 1 . . . . A 143 LEU CA . 36799 1 703 . 1 . 1 143 143 LEU CB C 13 40.55 . . 1 . . . . A 143 LEU CB . 36799 1 704 . 1 . 1 143 143 LEU CD1 C 13 21.38 . . . . . . . A 143 LEU CD1 . 36799 1 705 . 1 . 1 143 143 LEU CD2 C 13 23.83 . . . . . . . A 143 LEU CD2 . 36799 1 706 . 1 . 1 143 143 LEU N N 15 118.29 . . 1 . . . . A 143 LEU N . 36799 1 707 . 1 . 1 144 144 VAL H H 1 6.54 . . 1 . . . . A 144 VAL H . 36799 1 708 . 1 . 1 144 144 VAL HG11 H 1 -0.7 . . . . . . . A 144 VAL HG11 . 36799 1 709 . 1 . 1 144 144 VAL HG12 H 1 -0.7 . . . . . . . A 144 VAL HG12 . 36799 1 710 . 1 . 1 144 144 VAL HG13 H 1 -0.7 . . . . . . . A 144 VAL HG13 . 36799 1 711 . 1 . 1 144 144 VAL HG21 H 1 0.32 . . . . . . . A 144 VAL HG21 . 36799 1 712 . 1 . 1 144 144 VAL HG22 H 1 0.32 . . . . . . . A 144 VAL HG22 . 36799 1 713 . 1 . 1 144 144 VAL HG23 H 1 0.32 . . . . . . . A 144 VAL HG23 . 36799 1 714 . 1 . 1 144 144 VAL CA C 13 57.83 . . 1 . . . . A 144 VAL CA . 36799 1 715 . 1 . 1 144 144 VAL CB C 13 30.5 . . 1 . . . . A 144 VAL CB . 36799 1 716 . 1 . 1 144 144 VAL CG1 C 13 12.75 . . . . . . . A 144 VAL CG1 . 36799 1 717 . 1 . 1 144 144 VAL CG2 C 13 19.64 . . . . . . . A 144 VAL CG2 . 36799 1 718 . 1 . 1 144 144 VAL N N 15 102.35 . . 1 . . . . A 144 VAL N . 36799 1 719 . 1 . 1 145 145 ALA H H 1 7.63 . . 1 . . . . A 145 ALA H . 36799 1 720 . 1 . 1 145 145 ALA HB1 H 1 0.8 . . 1 . . . . A 145 ALA HB1 . 36799 1 721 . 1 . 1 145 145 ALA HB2 H 1 0.8 . . 1 . . . . A 145 ALA HB2 . 36799 1 722 . 1 . 1 145 145 ALA HB3 H 1 0.8 . . 1 . . . . A 145 ALA HB3 . 36799 1 723 . 1 . 1 145 145 ALA CA C 13 48.39 . . 1 . . . . A 145 ALA CA . 36799 1 724 . 1 . 1 145 145 ALA CB C 13 18.92 . . 1 . . . . A 145 ALA CB . 36799 1 725 . 1 . 1 145 145 ALA N N 15 124.06 . . 1 . . . . A 145 ALA N . 36799 1 726 . 1 . 1 146 146 GLU H H 1 8.47 . . 1 . . . . A 146 GLU H . 36799 1 727 . 1 . 1 146 146 GLU CA C 13 53.48 . . 1 . . . . A 146 GLU CA . 36799 1 728 . 1 . 1 146 146 GLU CB C 13 27.84 . . 1 . . . . A 146 GLU CB . 36799 1 729 . 1 . 1 146 146 GLU N N 15 117.82 . . 1 . . . . A 146 GLU N . 36799 1 730 . 1 . 1 147 147 LYS H H 1 7.36 . . 1 . . . . A 147 LYS H . 36799 1 731 . 1 . 1 147 147 LYS CA C 13 53.38 . . 1 . . . . A 147 LYS CA . 36799 1 732 . 1 . 1 147 147 LYS CB C 13 32.29 . . 1 . . . . A 147 LYS CB . 36799 1 733 . 1 . 1 147 147 LYS N N 15 116.75 . . 1 . . . . A 147 LYS N . 36799 1 734 . 1 . 1 148 148 VAL H H 1 8.04 . . 1 . . . . A 148 VAL H . 36799 1 735 . 1 . 1 148 148 VAL HG11 H 1 0.06 . . . . . . . A 148 VAL HG11 . 36799 1 736 . 1 . 1 148 148 VAL HG12 H 1 0.06 . . . . . . . A 148 VAL HG12 . 36799 1 737 . 1 . 1 148 148 VAL HG13 H 1 0.06 . . . . . . . A 148 VAL HG13 . 36799 1 738 . 1 . 1 148 148 VAL HG21 H 1 0.85 . . . . . . . A 148 VAL HG21 . 36799 1 739 . 1 . 1 148 148 VAL HG22 H 1 0.85 . . . . . . . A 148 VAL HG22 . 36799 1 740 . 1 . 1 148 148 VAL HG23 H 1 0.85 . . . . . . . A 148 VAL HG23 . 36799 1 741 . 1 . 1 148 148 VAL CA C 13 59.14 . . 1 . . . . A 148 VAL CA . 36799 1 742 . 1 . 1 148 148 VAL CB C 13 32.34 . . 1 . . . . A 148 VAL CB . 36799 1 743 . 1 . 1 148 148 VAL CG1 C 13 19.93 . . . . . . . A 148 VAL CG1 . 36799 1 744 . 1 . 1 148 148 VAL CG2 C 13 19.51 . . . . . . . A 148 VAL CG2 . 36799 1 745 . 1 . 1 148 148 VAL N N 15 125.62 . . 1 . . . . A 148 VAL N . 36799 1 746 . 1 . 1 149 149 THR H H 1 9.01 . . 1 . . . . A 149 THR H . 36799 1 747 . 1 . 1 149 149 THR HG21 H 1 1.38 . . 1 . . . . A 149 THR HG21 . 36799 1 748 . 1 . 1 149 149 THR HG22 H 1 1.38 . . 1 . . . . A 149 THR HG22 . 36799 1 749 . 1 . 1 149 149 THR HG23 H 1 1.38 . . 1 . . . . A 149 THR HG23 . 36799 1 750 . 1 . 1 149 149 THR CA C 13 59.35 . . 1 . . . . A 149 THR CA . 36799 1 751 . 1 . 1 149 149 THR CB C 13 68.39 . . 1 . . . . A 149 THR CB . 36799 1 752 . 1 . 1 149 149 THR CG2 C 13 18.52 . . 1 . . . . A 149 THR CG2 . 36799 1 753 . 1 . 1 149 149 THR N N 15 124.58 . . 1 . . . . A 149 THR N . 36799 1 754 . 1 . 1 150 150 VAL H H 1 10.43 . . 1 . . . . A 150 VAL H . 36799 1 755 . 1 . 1 150 150 VAL HG11 H 1 0.74 . . . . . . . A 150 VAL HG11 . 36799 1 756 . 1 . 1 150 150 VAL HG12 H 1 0.74 . . . . . . . A 150 VAL HG12 . 36799 1 757 . 1 . 1 150 150 VAL HG13 H 1 0.74 . . . . . . . A 150 VAL HG13 . 36799 1 758 . 1 . 1 150 150 VAL HG21 H 1 0.51 . . . . . . . A 150 VAL HG21 . 36799 1 759 . 1 . 1 150 150 VAL HG22 H 1 0.51 . . . . . . . A 150 VAL HG22 . 36799 1 760 . 1 . 1 150 150 VAL HG23 H 1 0.51 . . . . . . . A 150 VAL HG23 . 36799 1 761 . 1 . 1 150 150 VAL CA C 13 58.57 . . 1 . . . . A 150 VAL CA . 36799 1 762 . 1 . 1 150 150 VAL CB C 13 31.48 . . 1 . . . . A 150 VAL CB . 36799 1 763 . 1 . 1 150 150 VAL CG1 C 13 19.56 . . . . . . . A 150 VAL CG1 . 36799 1 764 . 1 . 1 150 150 VAL CG2 C 13 18.33 . . . . . . . A 150 VAL CG2 . 36799 1 765 . 1 . 1 150 150 VAL N N 15 128.22 . . 1 . . . . A 150 VAL N . 36799 1 766 . 1 . 1 151 151 ILE H H 1 9.55 . . 1 . . . . A 151 ILE H . 36799 1 767 . 1 . 1 151 151 ILE HD11 H 1 0.79 . . 1 . . . . A 151 ILE HD11 . 36799 1 768 . 1 . 1 151 151 ILE HD12 H 1 0.79 . . 1 . . . . A 151 ILE HD12 . 36799 1 769 . 1 . 1 151 151 ILE HD13 H 1 0.79 . . 1 . . . . A 151 ILE HD13 . 36799 1 770 . 1 . 1 151 151 ILE CA C 13 56.58 . . 1 . . . . A 151 ILE CA . 36799 1 771 . 1 . 1 151 151 ILE CB C 13 36.11 . . 1 . . . . A 151 ILE CB . 36799 1 772 . 1 . 1 151 151 ILE CD1 C 13 10.07 . . 1 . . . . A 151 ILE CD1 . 36799 1 773 . 1 . 1 151 151 ILE N N 15 128.35 . . 1 . . . . A 151 ILE N . 36799 1 774 . 1 . 1 152 152 THR H H 1 9.12 . . 1 . . . . A 152 THR H . 36799 1 775 . 1 . 1 152 152 THR HG21 H 1 1.3 . . 1 . . . . A 152 THR HG21 . 36799 1 776 . 1 . 1 152 152 THR HG22 H 1 1.3 . . 1 . . . . A 152 THR HG22 . 36799 1 777 . 1 . 1 152 152 THR HG23 H 1 1.3 . . 1 . . . . A 152 THR HG23 . 36799 1 778 . 1 . 1 152 152 THR CA C 13 57.36 . . 1 . . . . A 152 THR CA . 36799 1 779 . 1 . 1 152 152 THR CB C 13 68.77 . . 1 . . . . A 152 THR CB . 36799 1 780 . 1 . 1 152 152 THR CG2 C 13 16.71 . . 1 . . . . A 152 THR CG2 . 36799 1 781 . 1 . 1 152 152 THR N N 15 121.86 . . 1 . . . . A 152 THR N . 36799 1 782 . 1 . 1 153 153 LYS H H 1 8.85 . . 1 . . . . A 153 LYS H . 36799 1 783 . 1 . 1 153 153 LYS CA C 13 52.4 . . 1 . . . . A 153 LYS CA . 36799 1 784 . 1 . 1 153 153 LYS CB C 13 33.89 . . 1 . . . . A 153 LYS CB . 36799 1 785 . 1 . 1 153 153 LYS N N 15 127.17 . . 1 . . . . A 153 LYS N . 36799 1 786 . 1 . 1 154 154 HIS H H 1 9.64 . . 1 . . . . A 154 HIS H . 36799 1 787 . 1 . 1 154 154 HIS HD2 H 1 6.77702 . . 1 . . . . A 154 HIS HD2 . 36799 1 788 . 1 . 1 154 154 HIS HE1 H 1 7.84219 . . 1 . . . . A 154 HIS HE1 . 36799 1 789 . 1 . 1 154 154 HIS CA C 13 51.86 . . 1 . . . . A 154 HIS CA . 36799 1 790 . 1 . 1 154 154 HIS CD2 C 13 118.66386 . . 1 . . . . A 154 HIS CD2 . 36799 1 791 . 1 . 1 154 154 HIS CE1 C 13 134.87146 . . 1 . . . . A 154 HIS CE1 . 36799 1 792 . 1 . 1 154 154 HIS N N 15 131.64 . . 1 . . . . A 154 HIS N . 36799 1 793 . 1 . 1 155 155 ASN H H 1 9.62 . . 1 . . . . A 155 ASN H . 36799 1 794 . 1 . 1 155 155 ASN CA C 13 53.57 . . 1 . . . . A 155 ASN CA . 36799 1 795 . 1 . 1 155 155 ASN CB C 13 35.89 . . 1 . . . . A 155 ASN CB . 36799 1 796 . 1 . 1 155 155 ASN N N 15 125.75 . . 1 . . . . A 155 ASN N . 36799 1 797 . 1 . 1 156 156 ASP CA C 13 50 . . 1 . . . . A 156 ASP CA . 36799 1 798 . 1 . 1 157 157 ASP H H 1 8.29 . . 1 . . . . A 157 ASP H . 36799 1 799 . 1 . 1 157 157 ASP CA C 13 50.31 . . 1 . . . . A 157 ASP CA . 36799 1 800 . 1 . 1 157 157 ASP CB C 13 43.25 . . 1 . . . . A 157 ASP CB . 36799 1 801 . 1 . 1 157 157 ASP N N 15 123.48 . . 1 . . . . A 157 ASP N . 36799 1 802 . 1 . 1 158 158 GLU H H 1 9.25 . . 1 . . . . A 158 GLU H . 36799 1 803 . 1 . 1 158 158 GLU CA C 13 51.97 . . 1 . . . . A 158 GLU CA . 36799 1 804 . 1 . 1 158 158 GLU CB C 13 27.78 . . 1 . . . . A 158 GLU CB . 36799 1 805 . 1 . 1 158 158 GLU N N 15 117.5 . . 1 . . . . A 158 GLU N . 36799 1 806 . 1 . 1 159 159 GLN H H 1 8.09 . . 1 . . . . A 159 GLN H . 36799 1 807 . 1 . 1 159 159 GLN CA C 13 53.66 . . 1 . . . . A 159 GLN CA . 36799 1 808 . 1 . 1 159 159 GLN CB C 13 27.74 . . 1 . . . . A 159 GLN CB . 36799 1 809 . 1 . 1 159 159 GLN N N 15 119.27 . . 1 . . . . A 159 GLN N . 36799 1 810 . 1 . 1 160 160 TYR H H 1 8.65 . . 1 . . . . A 160 TYR H . 36799 1 811 . 1 . 1 160 160 TYR HD1 H 1 7.17273 . . . . . . . A 160 TYR HD1 . 36799 1 812 . 1 . 1 160 160 TYR HE1 H 1 6.85847 . . . . . . . A 160 TYR HE1 . 36799 1 813 . 1 . 1 160 160 TYR CA C 13 56.14 . . 1 . . . . A 160 TYR CA . 36799 1 814 . 1 . 1 160 160 TYR CB C 13 42.07 . . 1 . . . . A 160 TYR CB . 36799 1 815 . 1 . 1 160 160 TYR CE1 C 13 116.00336 . . . . . . . A 160 TYR CE1 . 36799 1 816 . 1 . 1 160 160 TYR N N 15 124.3 . . 1 . . . . A 160 TYR N . 36799 1 817 . 1 . 1 161 161 ALA H H 1 9.25 . . 1 . . . . A 161 ALA H . 36799 1 818 . 1 . 1 161 161 ALA HB1 H 1 1.2 . . 1 . . . . A 161 ALA HB1 . 36799 1 819 . 1 . 1 161 161 ALA HB2 H 1 1.2 . . 1 . . . . A 161 ALA HB2 . 36799 1 820 . 1 . 1 161 161 ALA HB3 H 1 1.2 . . 1 . . . . A 161 ALA HB3 . 36799 1 821 . 1 . 1 161 161 ALA CA C 13 48.1 . . 1 . . . . A 161 ALA CA . 36799 1 822 . 1 . 1 161 161 ALA CB C 13 19.11 . . 1 . . . . A 161 ALA CB . 36799 1 823 . 1 . 1 161 161 ALA N N 15 119.5 . . 1 . . . . A 161 ALA N . 36799 1 824 . 1 . 1 162 162 TRP H H 1 10.29 . . 1 . . . . A 162 TRP H . 36799 1 825 . 1 . 1 162 162 TRP HZ2 H 1 7.38827 . . 1 . . . . A 162 TRP HZ2 . 36799 1 826 . 1 . 1 162 162 TRP CA C 13 52.84 . . 1 . . . . A 162 TRP CA . 36799 1 827 . 1 . 1 162 162 TRP CB C 13 32.88 . . 1 . . . . A 162 TRP CB . 36799 1 828 . 1 . 1 162 162 TRP CZ2 C 13 110.97706 . . 1 . . . . A 162 TRP CZ2 . 36799 1 829 . 1 . 1 162 162 TRP N N 15 129.93 . . 1 . . . . A 162 TRP N . 36799 1 830 . 1 . 1 163 163 GLU H H 1 8.57 . . 1 . . . . A 163 GLU H . 36799 1 831 . 1 . 1 163 163 GLU CA C 13 54 . . 1 . . . . A 163 GLU CA . 36799 1 832 . 1 . 1 163 163 GLU CB C 13 31.59 . . 1 . . . . A 163 GLU CB . 36799 1 833 . 1 . 1 163 163 GLU N N 15 126.16 . . 1 . . . . A 163 GLU N . 36799 1 834 . 1 . 1 164 164 SER H H 1 8.18 . . 1 . . . . A 164 SER H . 36799 1 835 . 1 . 1 164 164 SER CA C 13 57 . . 1 . . . . A 164 SER CA . 36799 1 836 . 1 . 1 164 164 SER CB C 13 63.81 . . 1 . . . . A 164 SER CB . 36799 1 837 . 1 . 1 164 164 SER N N 15 113.47 . . 1 . . . . A 164 SER N . 36799 1 838 . 1 . 1 165 165 SER CA C 13 55.77 . . 1 . . . . A 165 SER CA . 36799 1 839 . 1 . 1 165 165 SER CB C 13 60.35 . . 1 . . . . A 165 SER CB . 36799 1 840 . 1 . 1 166 166 ALA H H 1 9.04 . . 1 . . . . A 166 ALA H . 36799 1 841 . 1 . 1 166 166 ALA HB1 H 1 1.11 . . 1 . . . . A 166 ALA HB1 . 36799 1 842 . 1 . 1 166 166 ALA HB2 H 1 1.11 . . 1 . . . . A 166 ALA HB2 . 36799 1 843 . 1 . 1 166 166 ALA HB3 H 1 1.11 . . 1 . . . . A 166 ALA HB3 . 36799 1 844 . 1 . 1 166 166 ALA CA C 13 51.2 . . 1 . . . . A 166 ALA CA . 36799 1 845 . 1 . 1 166 166 ALA CB C 13 13.93 . . 1 . . . . A 166 ALA CB . 36799 1 846 . 1 . 1 166 166 ALA N N 15 119.67 . . 1 . . . . A 166 ALA N . 36799 1 847 . 1 . 1 167 167 GLY H H 1 8.4 . . 1 . . . . A 167 GLY H . 36799 1 848 . 1 . 1 167 167 GLY CA C 13 43.29 . . 1 . . . . A 167 GLY CA . 36799 1 849 . 1 . 1 167 167 GLY N N 15 106.62 . . 1 . . . . A 167 GLY N . 36799 1 850 . 1 . 1 168 168 GLY H H 1 8.43 . . 1 . . . . A 168 GLY H . 36799 1 851 . 1 . 1 168 168 GLY CA C 13 43.5 . . 1 . . . . A 168 GLY CA . 36799 1 852 . 1 . 1 168 168 GLY N N 15 106.4 . . 1 . . . . A 168 GLY N . 36799 1 853 . 1 . 1 169 169 SER H H 1 7.72 . . 1 . . . . A 169 SER H . 36799 1 854 . 1 . 1 169 169 SER CA C 13 54.63 . . 1 . . . . A 169 SER CA . 36799 1 855 . 1 . 1 169 169 SER CB C 13 64.59 . . 1 . . . . A 169 SER CB . 36799 1 856 . 1 . 1 169 169 SER N N 15 115.13 . . 1 . . . . A 169 SER N . 36799 1 857 . 1 . 1 170 170 PHE H H 1 8.74 . . 1 . . . . A 170 PHE H . 36799 1 858 . 1 . 1 170 170 PHE HD1 H 1 6.6785 . . . . . . . A 170 PHE HD1 . 36799 1 859 . 1 . 1 170 170 PHE HE1 H 1 6.684 . . . . . . . A 170 PHE HE1 . 36799 1 860 . 1 . 1 170 170 PHE CA C 13 52.74 . . 1 . . . . A 170 PHE CA . 36799 1 861 . 1 . 1 170 170 PHE CB C 13 39.14 . . 1 . . . . A 170 PHE CB . 36799 1 862 . 1 . 1 170 170 PHE CD1 C 13 129.47192 . . . . . . . A 170 PHE CD1 . 36799 1 863 . 1 . 1 170 170 PHE CE1 C 13 127.45962 . . . . . . . A 170 PHE CE1 . 36799 1 864 . 1 . 1 170 170 PHE N N 15 119.38 . . 1 . . . . A 170 PHE N . 36799 1 865 . 1 . 1 171 171 THR H H 1 8.7 . . 1 . . . . A 171 THR H . 36799 1 866 . 1 . 1 171 171 THR HG21 H 1 0.99 . . 1 . . . . A 171 THR HG21 . 36799 1 867 . 1 . 1 171 171 THR HG22 H 1 0.99 . . 1 . . . . A 171 THR HG22 . 36799 1 868 . 1 . 1 171 171 THR HG23 H 1 0.99 . . 1 . . . . A 171 THR HG23 . 36799 1 869 . 1 . 1 171 171 THR CA C 13 56.4 . . 1 . . . . A 171 THR CA . 36799 1 870 . 1 . 1 171 171 THR CB C 13 70.15 . . 1 . . . . A 171 THR CB . 36799 1 871 . 1 . 1 171 171 THR CG2 C 13 18.61 . . 1 . . . . A 171 THR CG2 . 36799 1 872 . 1 . 1 171 171 THR N N 15 109.2 . . 1 . . . . A 171 THR N . 36799 1 873 . 1 . 1 172 172 VAL H H 1 8.8 . . 1 . . . . A 172 VAL H . 36799 1 874 . 1 . 1 172 172 VAL HG11 H 1 0.9 . . . . . . . A 172 VAL HG11 . 36799 1 875 . 1 . 1 172 172 VAL HG12 H 1 0.9 . . . . . . . A 172 VAL HG12 . 36799 1 876 . 1 . 1 172 172 VAL HG13 H 1 0.9 . . . . . . . A 172 VAL HG13 . 36799 1 877 . 1 . 1 172 172 VAL HG21 H 1 1.13 . . . . . . . A 172 VAL HG21 . 36799 1 878 . 1 . 1 172 172 VAL HG22 H 1 1.13 . . . . . . . A 172 VAL HG22 . 36799 1 879 . 1 . 1 172 172 VAL HG23 H 1 1.13 . . . . . . . A 172 VAL HG23 . 36799 1 880 . 1 . 1 172 172 VAL CA C 13 59.2 . . 1 . . . . A 172 VAL CA . 36799 1 881 . 1 . 1 172 172 VAL CB C 13 33.32 . . 1 . . . . A 172 VAL CB . 36799 1 882 . 1 . 1 172 172 VAL CG1 C 13 19.46 . . . . . . . A 172 VAL CG1 . 36799 1 883 . 1 . 1 172 172 VAL CG2 C 13 20.33 . . . . . . . A 172 VAL CG2 . 36799 1 884 . 1 . 1 172 172 VAL N N 15 117.78 . . 1 . . . . A 172 VAL N . 36799 1 885 . 1 . 1 173 173 ARG H H 1 9.06 . . 1 . . . . A 173 ARG H . 36799 1 886 . 1 . 1 173 173 ARG CA C 13 51.54 . . 1 . . . . A 173 ARG CA . 36799 1 887 . 1 . 1 173 173 ARG CB C 13 31.4 . . 1 . . . . A 173 ARG CB . 36799 1 888 . 1 . 1 173 173 ARG N N 15 123.99 . . 1 . . . . A 173 ARG N . 36799 1 889 . 1 . 1 174 174 THR H H 1 9.03 . . 1 . . . . A 174 THR H . 36799 1 890 . 1 . 1 174 174 THR HG21 H 1 1.09 . . 1 . . . . A 174 THR HG21 . 36799 1 891 . 1 . 1 174 174 THR HG22 H 1 1.09 . . 1 . . . . A 174 THR HG22 . 36799 1 892 . 1 . 1 174 174 THR HG23 H 1 1.09 . . 1 . . . . A 174 THR HG23 . 36799 1 893 . 1 . 1 174 174 THR CA C 13 61.46 . . 1 . . . . A 174 THR CA . 36799 1 894 . 1 . 1 174 174 THR CB C 13 66.38 . . 1 . . . . A 174 THR CB . 36799 1 895 . 1 . 1 174 174 THR CG2 C 13 19.61 . . 1 . . . . A 174 THR CG2 . 36799 1 896 . 1 . 1 174 174 THR N N 15 118.18 . . 1 . . . . A 174 THR N . 36799 1 897 . 1 . 1 175 175 ASP H H 1 8.57 . . 1 . . . . A 175 ASP H . 36799 1 898 . 1 . 1 175 175 ASP CA C 13 52.23 . . 1 . . . . A 175 ASP CA . 36799 1 899 . 1 . 1 175 175 ASP CB C 13 41.29 . . 1 . . . . A 175 ASP CB . 36799 1 900 . 1 . 1 175 175 ASP N N 15 126.19 . . 1 . . . . A 175 ASP N . 36799 1 901 . 1 . 1 176 176 THR H H 1 8 . . 1 . . . . A 176 THR H . 36799 1 902 . 1 . 1 176 176 THR HG21 H 1 1.05 . . 1 . . . . A 176 THR HG21 . 36799 1 903 . 1 . 1 176 176 THR HG22 H 1 1.05 . . 1 . . . . A 176 THR HG22 . 36799 1 904 . 1 . 1 176 176 THR HG23 H 1 1.05 . . 1 . . . . A 176 THR HG23 . 36799 1 905 . 1 . 1 176 176 THR CA C 13 58.45 . . 1 . . . . A 176 THR CA . 36799 1 906 . 1 . 1 176 176 THR CB C 13 66.31 . . 1 . . . . A 176 THR CB . 36799 1 907 . 1 . 1 176 176 THR CG2 C 13 18.59 . . 1 . . . . A 176 THR CG2 . 36799 1 908 . 1 . 1 176 176 THR N N 15 115.66 . . 1 . . . . A 176 THR N . 36799 1 909 . 1 . 1 177 177 GLY H H 1 7.74 . . 1 . . . . A 177 GLY H . 36799 1 910 . 1 . 1 177 177 GLY CA C 13 41.71 . . 1 . . . . A 177 GLY CA . 36799 1 911 . 1 . 1 177 177 GLY N N 15 109.93 . . 1 . . . . A 177 GLY N . 36799 1 912 . 1 . 1 178 178 GLU H H 1 8.21 . . 1 . . . . A 178 GLU H . 36799 1 913 . 1 . 1 178 178 GLU CB C 13 26.63 . . 1 . . . . A 178 GLU CB . 36799 1 914 . 1 . 1 178 178 GLU N N 15 120.78 . . 1 . . . . A 178 GLU N . 36799 1 915 . 1 . 1 179 179 PRO CA C 13 60.87 . . 1 . . . . A 179 PRO CA . 36799 1 916 . 1 . 1 179 179 PRO CB C 13 29.38 . . 1 . . . . A 179 PRO CB . 36799 1 917 . 1 . 1 180 180 MET H H 1 9.4 . . 1 . . . . A 180 MET H . 36799 1 918 . 1 . 1 180 180 MET HE1 H 1 1.71 . . 1 . . . . A 180 MET HE1 . 36799 1 919 . 1 . 1 180 180 MET HE2 H 1 1.71 . . 1 . . . . A 180 MET HE2 . 36799 1 920 . 1 . 1 180 180 MET HE3 H 1 1.71 . . 1 . . . . A 180 MET HE3 . 36799 1 921 . 1 . 1 180 180 MET CA C 13 52.61 . . 1 . . . . A 180 MET CA . 36799 1 922 . 1 . 1 180 180 MET CB C 13 32.03 . . 1 . . . . A 180 MET CB . 36799 1 923 . 1 . 1 180 180 MET CE C 13 13.93 . . 1 . . . . A 180 MET CE . 36799 1 924 . 1 . 1 180 180 MET N N 15 123.8 . . 1 . . . . A 180 MET N . 36799 1 925 . 1 . 1 181 181 GLY H H 1 8.57 . . 1 . . . . A 181 GLY H . 36799 1 926 . 1 . 1 181 181 GLY CA C 13 44.62 . . 1 . . . . A 181 GLY CA . 36799 1 927 . 1 . 1 181 181 GLY N N 15 111.28 . . 1 . . . . A 181 GLY N . 36799 1 928 . 1 . 1 182 182 ARG H H 1 7.4 . . 1 . . . . A 182 ARG H . 36799 1 929 . 1 . 1 182 182 ARG CA C 13 54.68 . . 1 . . . . A 182 ARG CA . 36799 1 930 . 1 . 1 182 182 ARG CB C 13 27.51 . . 1 . . . . A 182 ARG CB . 36799 1 931 . 1 . 1 182 182 ARG N N 15 120 . . 1 . . . . A 182 ARG N . 36799 1 932 . 1 . 1 183 183 GLY H H 1 9.12 . . 1 . . . . A 183 GLY H . 36799 1 933 . 1 . 1 183 183 GLY CA C 13 41.6 . . 1 . . . . A 183 GLY CA . 36799 1 934 . 1 . 1 183 183 GLY N N 15 115.31 . . 1 . . . . A 183 GLY N . 36799 1 935 . 1 . 1 184 184 THR H H 1 7.68 . . 1 . . . . A 184 THR H . 36799 1 936 . 1 . 1 184 184 THR HG21 H 1 0.93 . . 1 . . . . A 184 THR HG21 . 36799 1 937 . 1 . 1 184 184 THR HG22 H 1 0.93 . . 1 . . . . A 184 THR HG22 . 36799 1 938 . 1 . 1 184 184 THR HG23 H 1 0.93 . . 1 . . . . A 184 THR HG23 . 36799 1 939 . 1 . 1 184 184 THR CA C 13 59.99 . . 1 . . . . A 184 THR CA . 36799 1 940 . 1 . 1 184 184 THR CB C 13 70.04 . . 1 . . . . A 184 THR CB . 36799 1 941 . 1 . 1 184 184 THR CG2 C 13 20.17 . . 1 . . . . A 184 THR CG2 . 36799 1 942 . 1 . 1 184 184 THR N N 15 115.74 . . 1 . . . . A 184 THR N . 36799 1 943 . 1 . 1 185 185 LYS H H 1 9.98 . . 1 . . . . A 185 LYS H . 36799 1 944 . 1 . 1 185 185 LYS CA C 13 51.95 . . 1 . . . . A 185 LYS CA . 36799 1 945 . 1 . 1 185 185 LYS CB C 13 32.52 . . 1 . . . . A 185 LYS CB . 36799 1 946 . 1 . 1 185 185 LYS N N 15 128.19 . . 1 . . . . A 185 LYS N . 36799 1 947 . 1 . 1 186 186 VAL H H 1 9.13 . . 1 . . . . A 186 VAL H . 36799 1 948 . 1 . 1 186 186 VAL HG11 H 1 0.98 . . . . . . . A 186 VAL HG11 . 36799 1 949 . 1 . 1 186 186 VAL HG12 H 1 0.98 . . . . . . . A 186 VAL HG12 . 36799 1 950 . 1 . 1 186 186 VAL HG13 H 1 0.98 . . . . . . . A 186 VAL HG13 . 36799 1 951 . 1 . 1 186 186 VAL HG21 H 1 0.78 . . . . . . . A 186 VAL HG21 . 36799 1 952 . 1 . 1 186 186 VAL HG22 H 1 0.78 . . . . . . . A 186 VAL HG22 . 36799 1 953 . 1 . 1 186 186 VAL HG23 H 1 0.78 . . . . . . . A 186 VAL HG23 . 36799 1 954 . 1 . 1 186 186 VAL CA C 13 59.63 . . 1 . . . . A 186 VAL CA . 36799 1 955 . 1 . 1 186 186 VAL CB C 13 30.07 . . 1 . . . . A 186 VAL CB . 36799 1 956 . 1 . 1 186 186 VAL CG1 C 13 18.32 . . . . . . . A 186 VAL CG1 . 36799 1 957 . 1 . 1 186 186 VAL CG2 C 13 19.45 . . . . . . . A 186 VAL CG2 . 36799 1 958 . 1 . 1 186 186 VAL N N 15 126.28 . . 1 . . . . A 186 VAL N . 36799 1 959 . 1 . 1 187 187 ILE H H 1 9.9 . . 1 . . . . A 187 ILE H . 36799 1 960 . 1 . 1 187 187 ILE HD11 H 1 0.77 . . 1 . . . . A 187 ILE HD11 . 36799 1 961 . 1 . 1 187 187 ILE HD12 H 1 0.77 . . 1 . . . . A 187 ILE HD12 . 36799 1 962 . 1 . 1 187 187 ILE HD13 H 1 0.77 . . 1 . . . . A 187 ILE HD13 . 36799 1 963 . 1 . 1 187 187 ILE CA C 13 59.04 . . 1 . . . . A 187 ILE CA . 36799 1 964 . 1 . 1 187 187 ILE CB C 13 36.34 . . 1 . . . . A 187 ILE CB . 36799 1 965 . 1 . 1 187 187 ILE CD1 C 13 11.64 . . 1 . . . . A 187 ILE CD1 . 36799 1 966 . 1 . 1 187 187 ILE N N 15 127.55 . . 1 . . . . A 187 ILE N . 36799 1 967 . 1 . 1 188 188 LEU H H 1 8.83 . . 1 . . . . A 188 LEU H . 36799 1 968 . 1 . 1 188 188 LEU HD11 H 1 0.45 . . . . . . . A 188 LEU HD11 . 36799 1 969 . 1 . 1 188 188 LEU HD12 H 1 0.45 . . . . . . . A 188 LEU HD12 . 36799 1 970 . 1 . 1 188 188 LEU HD13 H 1 0.45 . . . . . . . A 188 LEU HD13 . 36799 1 971 . 1 . 1 188 188 LEU HD21 H 1 0.67 . . . . . . . A 188 LEU HD21 . 36799 1 972 . 1 . 1 188 188 LEU HD22 H 1 0.67 . . . . . . . A 188 LEU HD22 . 36799 1 973 . 1 . 1 188 188 LEU HD23 H 1 0.67 . . . . . . . A 188 LEU HD23 . 36799 1 974 . 1 . 1 188 188 LEU CA C 13 51.63 . . 1 . . . . A 188 LEU CA . 36799 1 975 . 1 . 1 188 188 LEU CB C 13 39.08 . . 1 . . . . A 188 LEU CB . 36799 1 976 . 1 . 1 188 188 LEU CD1 C 13 24.02 . . . . . . . A 188 LEU CD1 . 36799 1 977 . 1 . 1 188 188 LEU CD2 C 13 24.01 . . . . . . . A 188 LEU CD2 . 36799 1 978 . 1 . 1 188 188 LEU N N 15 125.58 . . 1 . . . . A 188 LEU N . 36799 1 979 . 1 . 1 189 189 HIS H H 1 8.29 . . 1 . . . . A 189 HIS H . 36799 1 980 . 1 . 1 189 189 HIS HD2 H 1 7.61442 . . 1 . . . . A 189 HIS HD2 . 36799 1 981 . 1 . 1 189 189 HIS HE1 H 1 7.66539 . . 1 . . . . A 189 HIS HE1 . 36799 1 982 . 1 . 1 189 189 HIS CA C 13 53 . . 1 . . . . A 189 HIS CA . 36799 1 983 . 1 . 1 189 189 HIS CB C 13 25.38 . . 1 . . . . A 189 HIS CB . 36799 1 984 . 1 . 1 189 189 HIS CD2 C 13 121.98827 . . 1 . . . . A 189 HIS CD2 . 36799 1 985 . 1 . 1 189 189 HIS CE1 C 13 136.28758 . . 1 . . . . A 189 HIS CE1 . 36799 1 986 . 1 . 1 189 189 HIS N N 15 124.51 . . 1 . . . . A 189 HIS N . 36799 1 987 . 1 . 1 190 190 LEU H H 1 7.99 . . 1 . . . . A 190 LEU H . 36799 1 988 . 1 . 1 190 190 LEU HD11 H 1 0.49 . . . . . . . A 190 LEU HD11 . 36799 1 989 . 1 . 1 190 190 LEU HD12 H 1 0.49 . . . . . . . A 190 LEU HD12 . 36799 1 990 . 1 . 1 190 190 LEU HD13 H 1 0.49 . . . . . . . A 190 LEU HD13 . 36799 1 991 . 1 . 1 190 190 LEU HD21 H 1 0.7 . . . . . . . A 190 LEU HD21 . 36799 1 992 . 1 . 1 190 190 LEU HD22 H 1 0.7 . . . . . . . A 190 LEU HD22 . 36799 1 993 . 1 . 1 190 190 LEU HD23 H 1 0.7 . . . . . . . A 190 LEU HD23 . 36799 1 994 . 1 . 1 190 190 LEU CA C 13 53.69 . . 1 . . . . A 190 LEU CA . 36799 1 995 . 1 . 1 190 190 LEU CB C 13 38.83 . . 1 . . . . A 190 LEU CB . 36799 1 996 . 1 . 1 190 190 LEU CD1 C 13 20.08 . . . . . . . A 190 LEU CD1 . 36799 1 997 . 1 . 1 190 190 LEU CD2 C 13 23.89 . . . . . . . A 190 LEU CD2 . 36799 1 998 . 1 . 1 190 190 LEU N N 15 123.38 . . 1 . . . . A 190 LEU N . 36799 1 999 . 1 . 1 191 191 LYS H H 1 8.4 . . 1 . . . . A 191 LYS H . 36799 1 1000 . 1 . 1 191 191 LYS CA C 13 54.63 . . 1 . . . . A 191 LYS CA . 36799 1 1001 . 1 . 1 191 191 LYS CB C 13 31.18 . . 1 . . . . A 191 LYS CB . 36799 1 1002 . 1 . 1 191 191 LYS N N 15 120.24 . . 1 . . . . A 191 LYS N . 36799 1 1003 . 1 . 1 192 192 GLU H H 1 8.95 . . 1 . . . . A 192 GLU H . 36799 1 1004 . 1 . 1 192 192 GLU CA C 13 57.27 . . 1 . . . . A 192 GLU CA . 36799 1 1005 . 1 . 1 192 192 GLU CB C 13 26.82 . . 1 . . . . A 192 GLU CB . 36799 1 1006 . 1 . 1 192 192 GLU N N 15 120.41 . . 1 . . . . A 192 GLU N . 36799 1 1007 . 1 . 1 193 193 ASP H H 1 8.31 . . 1 . . . . A 193 ASP H . 36799 1 1008 . 1 . 1 193 193 ASP CA C 13 51 . . 1 . . . . A 193 ASP CA . 36799 1 1009 . 1 . 1 193 193 ASP CB C 13 36.91 . . 1 . . . . A 193 ASP CB . 36799 1 1010 . 1 . 1 193 193 ASP N N 15 112.98 . . 1 . . . . A 193 ASP N . 36799 1 1011 . 1 . 1 194 194 GLN H H 1 7.81 . . 1 . . . . A 194 GLN H . 36799 1 1012 . 1 . 1 194 194 GLN CA C 13 51.55 . . 1 . . . . A 194 GLN CA . 36799 1 1013 . 1 . 1 194 194 GLN CB C 13 24.82 . . 1 . . . . A 194 GLN CB . 36799 1 1014 . 1 . 1 194 194 GLN N N 15 118.39 . . 1 . . . . A 194 GLN N . 36799 1 1015 . 1 . 1 195 195 THR H H 1 7.36 . . 1 . . . . A 195 THR H . 36799 1 1016 . 1 . 1 195 195 THR HG21 H 1 1.21 . . 1 . . . . A 195 THR HG21 . 36799 1 1017 . 1 . 1 195 195 THR HG22 H 1 1.21 . . 1 . . . . A 195 THR HG22 . 36799 1 1018 . 1 . 1 195 195 THR HG23 H 1 1.21 . . 1 . . . . A 195 THR HG23 . 36799 1 1019 . 1 . 1 195 195 THR CA C 13 62.1 . . 1 . . . . A 195 THR CA . 36799 1 1020 . 1 . 1 195 195 THR CB C 13 65.92 . . 1 . . . . A 195 THR CB . 36799 1 1021 . 1 . 1 195 195 THR CG2 C 13 19.28 . . 1 . . . . A 195 THR CG2 . 36799 1 1022 . 1 . 1 195 195 THR N N 15 106.31 . . 1 . . . . A 195 THR N . 36799 1 1023 . 1 . 1 196 196 GLU H H 1 8.81 . . 1 . . . . A 196 GLU H . 36799 1 1024 . 1 . 1 196 196 GLU CA C 13 56.32 . . 1 . . . . A 196 GLU CA . 36799 1 1025 . 1 . 1 196 196 GLU CB C 13 25.76 . . 1 . . . . A 196 GLU CB . 36799 1 1026 . 1 . 1 196 196 GLU N N 15 123.74 . . 1 . . . . A 196 GLU N . 36799 1 1027 . 1 . 1 197 197 TYR H H 1 6.58 . . 1 . . . . A 197 TYR H . 36799 1 1028 . 1 . 1 197 197 TYR HD1 H 1 7.06499 . . . . . . . A 197 TYR HD1 . 36799 1 1029 . 1 . 1 197 197 TYR HE1 H 1 6.84657 . . . . . . . A 197 TYR HE1 . 36799 1 1030 . 1 . 1 197 197 TYR CA C 13 57.46 . . 1 . . . . A 197 TYR CA . 36799 1 1031 . 1 . 1 197 197 TYR CB C 13 34.4 . . 1 . . . . A 197 TYR CB . 36799 1 1032 . 1 . 1 197 197 TYR CD1 C 13 130.20801 . . . . . . . A 197 TYR CD1 . 36799 1 1033 . 1 . 1 197 197 TYR CE1 C 13 116.00336 . . . . . . . A 197 TYR CE1 . 36799 1 1034 . 1 . 1 197 197 TYR N N 15 114.48 . . 1 . . . . A 197 TYR N . 36799 1 1035 . 1 . 1 198 198 LEU H H 1 7.23 . . 1 . . . . A 198 LEU H . 36799 1 1036 . 1 . 1 198 198 LEU HD11 H 1 0.87 . . . . . . . A 198 LEU HD11 . 36799 1 1037 . 1 . 1 198 198 LEU HD12 H 1 0.87 . . . . . . . A 198 LEU HD12 . 36799 1 1038 . 1 . 1 198 198 LEU HD13 H 1 0.87 . . . . . . . A 198 LEU HD13 . 36799 1 1039 . 1 . 1 198 198 LEU HD21 H 1 0.59 . . . . . . . A 198 LEU HD21 . 36799 1 1040 . 1 . 1 198 198 LEU HD22 H 1 0.59 . . . . . . . A 198 LEU HD22 . 36799 1 1041 . 1 . 1 198 198 LEU HD23 H 1 0.59 . . . . . . . A 198 LEU HD23 . 36799 1 1042 . 1 . 1 198 198 LEU CA C 13 51 . . 1 . . . . A 198 LEU CA . 36799 1 1043 . 1 . 1 198 198 LEU CB C 13 39.26 . . 1 . . . . A 198 LEU CB . 36799 1 1044 . 1 . 1 198 198 LEU CD1 C 13 24.21 . . . . . . . A 198 LEU CD1 . 36799 1 1045 . 1 . 1 198 198 LEU CD2 C 13 22.09 . . . . . . . A 198 LEU CD2 . 36799 1 1046 . 1 . 1 198 198 LEU N N 15 110.81 . . 1 . . . . A 198 LEU N . 36799 1 1047 . 1 . 1 199 199 GLU H H 1 7.25 . . 1 . . . . A 199 GLU H . 36799 1 1048 . 1 . 1 199 199 GLU CA C 13 52.58 . . 1 . . . . A 199 GLU CA . 36799 1 1049 . 1 . 1 199 199 GLU CB C 13 27.02 . . 1 . . . . A 199 GLU CB . 36799 1 1050 . 1 . 1 199 199 GLU N N 15 116.33 . . 1 . . . . A 199 GLU N . 36799 1 1051 . 1 . 1 200 200 GLU H H 1 9.06 . . 1 . . . . A 200 GLU H . 36799 1 1052 . 1 . 1 200 200 GLU CA C 13 58.1 . . 1 . . . . A 200 GLU CA . 36799 1 1053 . 1 . 1 200 200 GLU CB C 13 26.77 . . 1 . . . . A 200 GLU CB . 36799 1 1054 . 1 . 1 200 200 GLU N N 15 126.34 . . 1 . . . . A 200 GLU N . 36799 1 1055 . 1 . 1 201 201 ARG H H 1 8.84 . . 1 . . . . A 201 ARG H . 36799 1 1056 . 1 . 1 201 201 ARG CA C 13 57.12 . . 1 . . . . A 201 ARG CA . 36799 1 1057 . 1 . 1 201 201 ARG CB C 13 26.67 . . 1 . . . . A 201 ARG CB . 36799 1 1058 . 1 . 1 201 201 ARG N N 15 116 . . 1 . . . . A 201 ARG N . 36799 1 1059 . 1 . 1 202 202 ARG H H 1 6.7 . . 1 . . . . A 202 ARG H . 36799 1 1060 . 1 . 1 202 202 ARG CA C 13 54.71 . . 1 . . . . A 202 ARG CA . 36799 1 1061 . 1 . 1 202 202 ARG CB C 13 27.52 . . 1 . . . . A 202 ARG CB . 36799 1 1062 . 1 . 1 202 202 ARG N N 15 119.2 . . 1 . . . . A 202 ARG N . 36799 1 1063 . 1 . 1 203 203 ILE H H 1 8.05 . . 1 . . . . A 203 ILE H . 36799 1 1064 . 1 . 1 203 203 ILE HD11 H 1 0.75 . . 1 . . . . A 203 ILE HD11 . 36799 1 1065 . 1 . 1 203 203 ILE HD12 H 1 0.75 . . 1 . . . . A 203 ILE HD12 . 36799 1 1066 . 1 . 1 203 203 ILE HD13 H 1 0.75 . . 1 . . . . A 203 ILE HD13 . 36799 1 1067 . 1 . 1 203 203 ILE CA C 13 63.41 . . 1 . . . . A 203 ILE CA . 36799 1 1068 . 1 . 1 203 203 ILE CB C 13 34.96 . . 1 . . . . A 203 ILE CB . 36799 1 1069 . 1 . 1 203 203 ILE CD1 C 13 10.78 . . 1 . . . . A 203 ILE CD1 . 36799 1 1070 . 1 . 1 203 203 ILE N N 15 117.42 . . 1 . . . . A 203 ILE N . 36799 1 1071 . 1 . 1 204 204 LYS H H 1 8.37 . . 1 . . . . A 204 LYS H . 36799 1 1072 . 1 . 1 204 204 LYS CA C 13 58.16 . . 1 . . . . A 204 LYS CA . 36799 1 1073 . 1 . 1 204 204 LYS CB C 13 29.48 . . 1 . . . . A 204 LYS CB . 36799 1 1074 . 1 . 1 204 204 LYS N N 15 116.53 . . 1 . . . . A 204 LYS N . 36799 1 1075 . 1 . 1 205 205 GLU H H 1 7.64 . . 1 . . . . A 205 GLU H . 36799 1 1076 . 1 . 1 205 205 GLU CA C 13 56.69 . . 1 . . . . A 205 GLU CA . 36799 1 1077 . 1 . 1 205 205 GLU CB C 13 26.42 . . 1 . . . . A 205 GLU CB . 36799 1 1078 . 1 . 1 205 205 GLU N N 15 118.35 . . 1 . . . . A 205 GLU N . 36799 1 1079 . 1 . 1 206 206 ILE H H 1 7.81 . . 1 . . . . A 206 ILE H . 36799 1 1080 . 1 . 1 206 206 ILE HD11 H 1 0.95 . . 1 . . . . A 206 ILE HD11 . 36799 1 1081 . 1 . 1 206 206 ILE HD12 H 1 0.95 . . 1 . . . . A 206 ILE HD12 . 36799 1 1082 . 1 . 1 206 206 ILE HD13 H 1 0.95 . . 1 . . . . A 206 ILE HD13 . 36799 1 1083 . 1 . 1 206 206 ILE CA C 13 63.2 . . 1 . . . . A 206 ILE CA . 36799 1 1084 . 1 . 1 206 206 ILE CB C 13 35.26 . . 1 . . . . A 206 ILE CB . 36799 1 1085 . 1 . 1 206 206 ILE CD1 C 13 12.81 . . 1 . . . . A 206 ILE CD1 . 36799 1 1086 . 1 . 1 206 206 ILE N N 15 120.8 . . 1 . . . . A 206 ILE N . 36799 1 1087 . 1 . 1 207 207 VAL H H 1 8.34 . . 1 . . . . A 207 VAL H . 36799 1 1088 . 1 . 1 207 207 VAL HG11 H 1 0.79 . . . . . . . A 207 VAL HG11 . 36799 1 1089 . 1 . 1 207 207 VAL HG12 H 1 0.79 . . . . . . . A 207 VAL HG12 . 36799 1 1090 . 1 . 1 207 207 VAL HG13 H 1 0.79 . . . . . . . A 207 VAL HG13 . 36799 1 1091 . 1 . 1 207 207 VAL HG21 H 1 0.75 . . . . . . . A 207 VAL HG21 . 36799 1 1092 . 1 . 1 207 207 VAL HG22 H 1 0.75 . . . . . . . A 207 VAL HG22 . 36799 1 1093 . 1 . 1 207 207 VAL HG23 H 1 0.75 . . . . . . . A 207 VAL HG23 . 36799 1 1094 . 1 . 1 207 207 VAL CA C 13 64.43 . . 1 . . . . A 207 VAL CA . 36799 1 1095 . 1 . 1 207 207 VAL CB C 13 28.82 . . 1 . . . . A 207 VAL CB . 36799 1 1096 . 1 . 1 207 207 VAL CG1 C 13 20.55 . . . . . . . A 207 VAL CG1 . 36799 1 1097 . 1 . 1 207 207 VAL CG2 C 13 18.96 . . . . . . . A 207 VAL CG2 . 36799 1 1098 . 1 . 1 207 207 VAL N N 15 120.4 . . 1 . . . . A 207 VAL N . 36799 1 1099 . 1 . 1 208 208 LYS H H 1 7.86 . . 1 . . . . A 208 LYS H . 36799 1 1100 . 1 . 1 208 208 LYS CA C 13 56.5 . . 1 . . . . A 208 LYS CA . 36799 1 1101 . 1 . 1 208 208 LYS CB C 13 29.25 . . 1 . . . . A 208 LYS CB . 36799 1 1102 . 1 . 1 208 208 LYS N N 15 118.63 . . 1 . . . . A 208 LYS N . 36799 1 1103 . 1 . 1 209 209 LYS H H 1 7.44 . . 1 . . . . A 209 LYS H . 36799 1 1104 . 1 . 1 209 209 LYS CA C 13 56.38 . . 1 . . . . A 209 LYS CA . 36799 1 1105 . 1 . 1 209 209 LYS CB C 13 30.41 . . 1 . . . . A 209 LYS CB . 36799 1 1106 . 1 . 1 209 209 LYS N N 15 116.17 . . 1 . . . . A 209 LYS N . 36799 1 1107 . 1 . 1 210 210 HIS H H 1 7.76 . . 1 . . . . A 210 HIS H . 36799 1 1108 . 1 . 1 210 210 HIS HD2 H 1 7.62984 . . 1 . . . . A 210 HIS HD2 . 36799 1 1109 . 1 . 1 210 210 HIS HE1 H 1 7.8521 . . 1 . . . . A 210 HIS HE1 . 36799 1 1110 . 1 . 1 210 210 HIS CA C 13 54.92 . . 1 . . . . A 210 HIS CA . 36799 1 1111 . 1 . 1 210 210 HIS CB C 13 30.92 . . 1 . . . . A 210 HIS CB . 36799 1 1112 . 1 . 1 210 210 HIS CD2 C 13 121.98827 . . 1 . . . . A 210 HIS CD2 . 36799 1 1113 . 1 . 1 210 210 HIS CE1 C 13 134.87146 . . 1 . . . . A 210 HIS CE1 . 36799 1 1114 . 1 . 1 210 210 HIS N N 15 113.16 . . 1 . . . . A 210 HIS N . 36799 1 1115 . 1 . 1 211 211 SER H H 1 8.1 . . 1 . . . . A 211 SER H . 36799 1 1116 . 1 . 1 211 211 SER CA C 13 56.74 . . 1 . . . . A 211 SER CA . 36799 1 1117 . 1 . 1 211 211 SER CB C 13 60.91 . . 1 . . . . A 211 SER CB . 36799 1 1118 . 1 . 1 211 211 SER N N 15 115.16 . . 1 . . . . A 211 SER N . 36799 1 1119 . 1 . 1 212 212 GLN H H 1 8.08 . . 1 . . . . A 212 GLN H . 36799 1 1120 . 1 . 1 212 212 GLN CA C 13 55.4 . . 1 . . . . A 212 GLN CA . 36799 1 1121 . 1 . 1 212 212 GLN CB C 13 25.38 . . 1 . . . . A 212 GLN CB . 36799 1 1122 . 1 . 1 212 212 GLN N N 15 119.83 . . 1 . . . . A 212 GLN N . 36799 1 1123 . 1 . 1 213 213 PHE H H 1 8.05 . . 1 . . . . A 213 PHE H . 36799 1 1124 . 1 . 1 213 213 PHE HD1 H 1 6.67184 . . . . . . . A 213 PHE HD1 . 36799 1 1125 . 1 . 1 213 213 PHE HE1 H 1 7.2705 . . . . . . . A 213 PHE HE1 . 36799 1 1126 . 1 . 1 213 213 PHE CA C 13 54.6 . . 1 . . . . A 213 PHE CA . 36799 1 1127 . 1 . 1 213 213 PHE CB C 13 35.35 . . 1 . . . . A 213 PHE CB . 36799 1 1128 . 1 . 1 213 213 PHE CD1 C 13 129.47192 . . . . . . . A 213 PHE CD1 . 36799 1 1129 . 1 . 1 213 213 PHE CE1 C 13 128.73615 . . . . . . . A 213 PHE CE1 . 36799 1 1130 . 1 . 1 213 213 PHE N N 15 115.33 . . 1 . . . . A 213 PHE N . 36799 1 1131 . 1 . 1 214 214 ILE H H 1 7.08 . . 1 . . . . A 214 ILE H . 36799 1 1132 . 1 . 1 214 214 ILE HD11 H 1 0.74 . . 1 . . . . A 214 ILE HD11 . 36799 1 1133 . 1 . 1 214 214 ILE HD12 H 1 0.74 . . 1 . . . . A 214 ILE HD12 . 36799 1 1134 . 1 . 1 214 214 ILE HD13 H 1 0.74 . . 1 . . . . A 214 ILE HD13 . 36799 1 1135 . 1 . 1 214 214 ILE CA C 13 56.88 . . 1 . . . . A 214 ILE CA . 36799 1 1136 . 1 . 1 214 214 ILE CB C 13 33.55 . . 1 . . . . A 214 ILE CB . 36799 1 1137 . 1 . 1 214 214 ILE CD1 C 13 7.28 . . 1 . . . . A 214 ILE CD1 . 36799 1 1138 . 1 . 1 214 214 ILE N N 15 121.43 . . 1 . . . . A 214 ILE N . 36799 1 1139 . 1 . 1 215 215 GLY H H 1 9.12 . . 1 . . . . A 215 GLY H . 36799 1 1140 . 1 . 1 215 215 GLY CA C 13 43.42 . . 1 . . . . A 215 GLY CA . 36799 1 1141 . 1 . 1 215 215 GLY N N 15 115.22 . . 1 . . . . A 215 GLY N . 36799 1 1142 . 1 . 1 216 216 TYR H H 1 6.68 . . 1 . . . . A 216 TYR H . 36799 1 1143 . 1 . 1 216 216 TYR HD1 H 1 6.66852 . . . . . . . A 216 TYR HD1 . 36799 1 1144 . 1 . 1 216 216 TYR HE1 H 1 6.77592 . . . . . . . A 216 TYR HE1 . 36799 1 1145 . 1 . 1 216 216 TYR CA C 13 53.53 . . 1 . . . . A 216 TYR CA . 36799 1 1146 . 1 . 1 216 216 TYR CB C 13 38.06 . . 1 . . . . A 216 TYR CB . 36799 1 1147 . 1 . 1 216 216 TYR CD1 C 13 129.47192 . . . . . . . A 216 TYR CD1 . 36799 1 1148 . 1 . 1 216 216 TYR CE1 C 13 118.66386 . . . . . . . A 216 TYR CE1 . 36799 1 1149 . 1 . 1 216 216 TYR N N 15 117.5 . . 1 . . . . A 216 TYR N . 36799 1 1150 . 1 . 1 217 217 PRO CA C 13 61.05 . . 1 . . . . A 217 PRO CA . 36799 1 1151 . 1 . 1 217 217 PRO CB C 13 29.23 . . 1 . . . . A 217 PRO CB . 36799 1 1152 . 1 . 1 218 218 ILE H H 1 8.01 . . 1 . . . . A 218 ILE H . 36799 1 1153 . 1 . 1 218 218 ILE HD11 H 1 0.79 . . 1 . . . . A 218 ILE HD11 . 36799 1 1154 . 1 . 1 218 218 ILE HD12 H 1 0.79 . . 1 . . . . A 218 ILE HD12 . 36799 1 1155 . 1 . 1 218 218 ILE HD13 H 1 0.79 . . 1 . . . . A 218 ILE HD13 . 36799 1 1156 . 1 . 1 218 218 ILE CA C 13 57.81 . . 1 . . . . A 218 ILE CA . 36799 1 1157 . 1 . 1 218 218 ILE CB C 13 37.01 . . 1 . . . . A 218 ILE CB . 36799 1 1158 . 1 . 1 218 218 ILE CD1 C 13 11.9 . . 1 . . . . A 218 ILE CD1 . 36799 1 1159 . 1 . 1 218 218 ILE N N 15 123.29 . . 1 . . . . A 218 ILE N . 36799 1 1160 . 1 . 1 219 219 THR H H 1 8.67 . . 1 . . . . A 219 THR H . 36799 1 1161 . 1 . 1 219 219 THR HG21 H 1 0.85 . . 1 . . . . A 219 THR HG21 . 36799 1 1162 . 1 . 1 219 219 THR HG22 H 1 0.85 . . 1 . . . . A 219 THR HG22 . 36799 1 1163 . 1 . 1 219 219 THR HG23 H 1 0.85 . . 1 . . . . A 219 THR HG23 . 36799 1 1164 . 1 . 1 219 219 THR CA C 13 58.8 . . 1 . . . . A 219 THR CA . 36799 1 1165 . 1 . 1 219 219 THR CB C 13 67.97 . . 1 . . . . A 219 THR CB . 36799 1 1166 . 1 . 1 219 219 THR CG2 C 13 19.01 . . 1 . . . . A 219 THR CG2 . 36799 1 1167 . 1 . 1 219 219 THR N N 15 122.54 . . 1 . . . . A 219 THR N . 36799 1 1168 . 1 . 1 220 220 LEU H H 1 8.65 . . 1 . . . . A 220 LEU H . 36799 1 1169 . 1 . 1 220 220 LEU HD11 H 1 0.79 . . . . . . . A 220 LEU HD11 . 36799 1 1170 . 1 . 1 220 220 LEU HD12 H 1 0.79 . . . . . . . A 220 LEU HD12 . 36799 1 1171 . 1 . 1 220 220 LEU HD13 H 1 0.79 . . . . . . . A 220 LEU HD13 . 36799 1 1172 . 1 . 1 220 220 LEU HD21 H 1 0.8 . . . . . . . A 220 LEU HD21 . 36799 1 1173 . 1 . 1 220 220 LEU HD22 H 1 0.8 . . . . . . . A 220 LEU HD22 . 36799 1 1174 . 1 . 1 220 220 LEU HD23 H 1 0.8 . . . . . . . A 220 LEU HD23 . 36799 1 1175 . 1 . 1 220 220 LEU CA C 13 51.6 . . 1 . . . . A 220 LEU CA . 36799 1 1176 . 1 . 1 220 220 LEU CB C 13 40.59 . . 1 . . . . A 220 LEU CB . 36799 1 1177 . 1 . 1 220 220 LEU CD1 C 13 24.05 . . . . . . . A 220 LEU CD1 . 36799 1 1178 . 1 . 1 220 220 LEU CD2 C 13 21.95 . . . . . . . A 220 LEU CD2 . 36799 1 1179 . 1 . 1 220 220 LEU N N 15 127.49 . . 1 . . . . A 220 LEU N . 36799 1 1180 . 1 . 1 221 221 PHE H H 1 8.76 . . 1 . . . . A 221 PHE H . 36799 1 1181 . 1 . 1 221 221 PHE HD1 H 1 7.13463 . . . . . . . A 221 PHE HD1 . 36799 1 1182 . 1 . 1 221 221 PHE HE1 H 1 7.14942 . . . . . . . A 221 PHE HE1 . 36799 1 1183 . 1 . 1 221 221 PHE CA C 13 55.04 . . 1 . . . . A 221 PHE CA . 36799 1 1184 . 1 . 1 221 221 PHE CB C 13 36.99 . . 1 . . . . A 221 PHE CB . 36799 1 1185 . 1 . 1 221 221 PHE N N 15 127.05 . . 1 . . . . A 221 PHE N . 36799 1 1186 . 1 . 1 222 222 VAL H H 1 7.85 . . 1 . . . . A 222 VAL H . 36799 1 1187 . 1 . 1 222 222 VAL HG11 H 1 0.77 . . . . . . . A 222 VAL HG11 . 36799 1 1188 . 1 . 1 222 222 VAL HG12 H 1 0.77 . . . . . . . A 222 VAL HG12 . 36799 1 1189 . 1 . 1 222 222 VAL HG13 H 1 0.77 . . . . . . . A 222 VAL HG13 . 36799 1 1190 . 1 . 1 222 222 VAL HG21 H 1 0.83 . . . . . . . A 222 VAL HG21 . 36799 1 1191 . 1 . 1 222 222 VAL HG22 H 1 0.83 . . . . . . . A 222 VAL HG22 . 36799 1 1192 . 1 . 1 222 222 VAL HG23 H 1 0.83 . . . . . . . A 222 VAL HG23 . 36799 1 1193 . 1 . 1 222 222 VAL CA C 13 58.56 . . 1 . . . . A 222 VAL CA . 36799 1 1194 . 1 . 1 222 222 VAL CB C 13 30.68 . . 1 . . . . A 222 VAL CB . 36799 1 1195 . 1 . 1 222 222 VAL CG1 C 13 18.58 . . . . . . . A 222 VAL CG1 . 36799 1 1196 . 1 . 1 222 222 VAL CG2 C 13 17.39 . . . . . . . A 222 VAL CG2 . 36799 1 1197 . 1 . 1 222 222 VAL N N 15 121.35 . . 1 . . . . A 222 VAL N . 36799 1 stop_ save_