data_52955 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52955 _Entry.Title ; Assembly and functional mechanisms of the Hsp70-Hsp40 chaperone machinery ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-03-09 _Entry.Accession_date 2025-03-09 _Entry.Last_release_date 2025-03-10 _Entry.Original_release_date 2025-03-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _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 Yajun Jiang . . . . 52955 2 Ziad Ibrahim . . . . 52955 3 Mary Clay . . . . 52955 4 Youlin Xia . . . . 52955 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . "Kalodimos group, St Jude Children's Research Hospital" . 52955 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52955 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 111 52955 '1H chemical shifts' 333 52955 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 . . 2025-10-20 . original BMRB . 52955 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52956 DnaKNBD 52955 BMRB 52957 K615MGGADP 52955 BMRB 52958 DnaKADP 52955 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52955 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41092901 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Mechanisms of assembly and function of the Hsp70-Hsp40 chaperone machinery ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 2025 _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 Yajun Jiang Y. . . . 52955 1 2 Ziad Ibrahim Z. . . . 52955 1 3 Youlin Xia Y. . . . 52955 1 4 Mary Clay M. . . . 52955 1 5 Alexander Myasnikov A. . . . 52955 1 6 Kalyan Immadisetty K. . . . 52955 1 7 Zhilian Xia Z. . . . 52955 1 8 Liang Tang L. . . . 52955 1 9 Paolo Rossi P. . . . 52955 1 10 Pritha Ganguly P. . . . 52955 1 11 Jiangshu Liu J. . . . 52955 1 12 Darcie Miller D. . . . 52955 1 13 Meixia Che M. . . . 52955 1 14 Santiago Palacios S. M. . . 52955 1 15 Gunter Kramer G. . . . 52955 1 16 Bernd Bukau B. . . . 52955 1 17 Charalampos Kalodimos C. G. . . 52955 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52955 _Assembly.ID 1 _Assembly.Name DnaJ _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _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 DnaJ 1 $entity_1 . . yes native no no . . . 52955 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52955 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAAKKDYYAILGVPRNATQE EIKRAYKRLARQYHPDVNKS PEAEEKFKEINEAYAVLSDP EKRRIYDTYGTTEAPPPPPP GGYDFSGFDVEDFSEFFQEL FGPGLFGGFGRRSRKGRDLR AELPLTLEEAFHGGERVVEV AGRRVSVRIPPGVREGSVIR VPGMGGQGNPPGDLLLVVRL LPHPVFRLEGQDLYATLDVP APIAVVGGKVRAMTLEGPVE VAVPPRTQAGRKLRLKGKGF PGPAGRGDLYLEVRITIPER LTPEEEALWKKLAEAYYARA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 280 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . MET . 52955 1 2 . ALA . 52955 1 3 . ALA . 52955 1 4 . LYS . 52955 1 5 . LYS . 52955 1 6 . ASP . 52955 1 7 . TYR . 52955 1 8 . TYR . 52955 1 9 . ALA . 52955 1 10 . ILE . 52955 1 11 . LEU . 52955 1 12 . GLY . 52955 1 13 . VAL . 52955 1 14 . PRO . 52955 1 15 . ARG . 52955 1 16 . ASN . 52955 1 17 . ALA . 52955 1 18 . THR . 52955 1 19 . GLN . 52955 1 20 . GLU . 52955 1 21 . GLU . 52955 1 22 . ILE . 52955 1 23 . LYS . 52955 1 24 . ARG . 52955 1 25 . ALA . 52955 1 26 . TYR . 52955 1 27 . LYS . 52955 1 28 . ARG . 52955 1 29 . LEU . 52955 1 30 . ALA . 52955 1 31 . ARG . 52955 1 32 . GLN . 52955 1 33 . TYR . 52955 1 34 . HIS . 52955 1 35 . PRO . 52955 1 36 . ASP . 52955 1 37 . VAL . 52955 1 38 . ASN . 52955 1 39 . LYS . 52955 1 40 . SER . 52955 1 41 . PRO . 52955 1 42 . GLU . 52955 1 43 . ALA . 52955 1 44 . GLU . 52955 1 45 . GLU . 52955 1 46 . LYS . 52955 1 47 . PHE . 52955 1 48 . LYS . 52955 1 49 . GLU . 52955 1 50 . ILE . 52955 1 51 . ASN . 52955 1 52 . GLU . 52955 1 53 . ALA . 52955 1 54 . TYR . 52955 1 55 . ALA . 52955 1 56 . VAL . 52955 1 57 . LEU . 52955 1 58 . SER . 52955 1 59 . ASP . 52955 1 60 . PRO . 52955 1 61 . GLU . 52955 1 62 . LYS . 52955 1 63 . ARG . 52955 1 64 . ARG . 52955 1 65 . ILE . 52955 1 66 . TYR . 52955 1 67 . ASP . 52955 1 68 . THR . 52955 1 69 . TYR . 52955 1 70 . GLY . 52955 1 71 . THR . 52955 1 72 . THR . 52955 1 73 . GLU . 52955 1 74 . ALA . 52955 1 75 . PRO . 52955 1 76 . PRO . 52955 1 77 . PRO . 52955 1 78 . PRO . 52955 1 79 . PRO . 52955 1 80 . PRO . 52955 1 81 . GLY . 52955 1 82 . GLY . 52955 1 83 . TYR . 52955 1 84 . ASP . 52955 1 85 . PHE . 52955 1 86 . SER . 52955 1 87 . GLY . 52955 1 88 . PHE . 52955 1 89 . ASP . 52955 1 90 . VAL . 52955 1 91 . GLU . 52955 1 92 . ASP . 52955 1 93 . PHE . 52955 1 94 . SER . 52955 1 95 . GLU . 52955 1 96 . PHE . 52955 1 97 . PHE . 52955 1 98 . GLN . 52955 1 99 . GLU . 52955 1 100 . LEU . 52955 1 101 . PHE . 52955 1 102 . GLY . 52955 1 103 . PRO . 52955 1 104 . GLY . 52955 1 105 . LEU . 52955 1 106 . PHE . 52955 1 107 . GLY . 52955 1 108 . GLY . 52955 1 109 . PHE . 52955 1 110 . GLY . 52955 1 111 . ARG . 52955 1 112 . ARG . 52955 1 113 . SER . 52955 1 114 . ARG . 52955 1 115 . LYS . 52955 1 116 . GLY . 52955 1 117 . ARG . 52955 1 118 . ASP . 52955 1 119 . LEU . 52955 1 120 . ARG . 52955 1 121 . ALA . 52955 1 122 . GLU . 52955 1 123 . LEU . 52955 1 124 . PRO . 52955 1 125 . LEU . 52955 1 126 . THR . 52955 1 127 . LEU . 52955 1 128 . GLU . 52955 1 129 . GLU . 52955 1 130 . ALA . 52955 1 131 . PHE . 52955 1 132 . HIS . 52955 1 133 . GLY . 52955 1 134 . GLY . 52955 1 135 . GLU . 52955 1 136 . ARG . 52955 1 137 . VAL . 52955 1 138 . VAL . 52955 1 139 . GLU . 52955 1 140 . VAL . 52955 1 141 . ALA . 52955 1 142 . GLY . 52955 1 143 . ARG . 52955 1 144 . ARG . 52955 1 145 . VAL . 52955 1 146 . SER . 52955 1 147 . VAL . 52955 1 148 . ARG . 52955 1 149 . ILE . 52955 1 150 . PRO . 52955 1 151 . PRO . 52955 1 152 . GLY . 52955 1 153 . VAL . 52955 1 154 . ARG . 52955 1 155 . GLU . 52955 1 156 . GLY . 52955 1 157 . SER . 52955 1 158 . VAL . 52955 1 159 . ILE . 52955 1 160 . ARG . 52955 1 161 . VAL . 52955 1 162 . PRO . 52955 1 163 . GLY . 52955 1 164 . MET . 52955 1 165 . GLY . 52955 1 166 . GLY . 52955 1 167 . GLN . 52955 1 168 . GLY . 52955 1 169 . ASN . 52955 1 170 . PRO . 52955 1 171 . PRO . 52955 1 172 . GLY . 52955 1 173 . ASP . 52955 1 174 . LEU . 52955 1 175 . LEU . 52955 1 176 . LEU . 52955 1 177 . VAL . 52955 1 178 . VAL . 52955 1 179 . ARG . 52955 1 180 . LEU . 52955 1 181 . LEU . 52955 1 182 . PRO . 52955 1 183 . HIS . 52955 1 184 . PRO . 52955 1 185 . VAL . 52955 1 186 . PHE . 52955 1 187 . ARG . 52955 1 188 . LEU . 52955 1 189 . GLU . 52955 1 190 . GLY . 52955 1 191 . GLN . 52955 1 192 . ASP . 52955 1 193 . LEU . 52955 1 194 . TYR . 52955 1 195 . ALA . 52955 1 196 . THR . 52955 1 197 . LEU . 52955 1 198 . ASP . 52955 1 199 . VAL . 52955 1 200 . PRO . 52955 1 201 . ALA . 52955 1 202 . PRO . 52955 1 203 . ILE . 52955 1 204 . ALA . 52955 1 205 . VAL . 52955 1 206 . VAL . 52955 1 207 . GLY . 52955 1 208 . GLY . 52955 1 209 . LYS . 52955 1 210 . VAL . 52955 1 211 . ARG . 52955 1 212 . ALA . 52955 1 213 . MET . 52955 1 214 . THR . 52955 1 215 . LEU . 52955 1 216 . GLU . 52955 1 217 . GLY . 52955 1 218 . PRO . 52955 1 219 . VAL . 52955 1 220 . GLU . 52955 1 221 . VAL . 52955 1 222 . ALA . 52955 1 223 . VAL . 52955 1 224 . PRO . 52955 1 225 . PRO . 52955 1 226 . ARG . 52955 1 227 . THR . 52955 1 228 . GLN . 52955 1 229 . ALA . 52955 1 230 . GLY . 52955 1 231 . ARG . 52955 1 232 . LYS . 52955 1 233 . LEU . 52955 1 234 . ARG . 52955 1 235 . LEU . 52955 1 236 . LYS . 52955 1 237 . GLY . 52955 1 238 . LYS . 52955 1 239 . GLY . 52955 1 240 . PHE . 52955 1 241 . PRO . 52955 1 242 . GLY . 52955 1 243 . PRO . 52955 1 244 . ALA . 52955 1 245 . GLY . 52955 1 246 . ARG . 52955 1 247 . GLY . 52955 1 248 . ASP . 52955 1 249 . LEU . 52955 1 250 . TYR . 52955 1 251 . LEU . 52955 1 252 . GLU . 52955 1 253 . VAL . 52955 1 254 . ARG . 52955 1 255 . ILE . 52955 1 256 . THR . 52955 1 257 . ILE . 52955 1 258 . PRO . 52955 1 259 . GLU . 52955 1 260 . ARG . 52955 1 261 . LEU . 52955 1 262 . THR . 52955 1 263 . PRO . 52955 1 264 . GLU . 52955 1 265 . GLU . 52955 1 266 . GLU . 52955 1 267 . ALA . 52955 1 268 . LEU . 52955 1 269 . TRP . 52955 1 270 . LYS . 52955 1 271 . LYS . 52955 1 272 . LEU . 52955 1 273 . ALA . 52955 1 274 . GLU . 52955 1 275 . ALA . 52955 1 276 . TYR . 52955 1 277 . TYR . 52955 1 278 . ALA . 52955 1 279 . ARG . 52955 1 280 . ALA . 52955 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 52955 1 . ALA 2 2 52955 1 . ALA 3 3 52955 1 . LYS 4 4 52955 1 . LYS 5 5 52955 1 . ASP 6 6 52955 1 . TYR 7 7 52955 1 . TYR 8 8 52955 1 . ALA 9 9 52955 1 . ILE 10 10 52955 1 . LEU 11 11 52955 1 . GLY 12 12 52955 1 . VAL 13 13 52955 1 . PRO 14 14 52955 1 . ARG 15 15 52955 1 . ASN 16 16 52955 1 . ALA 17 17 52955 1 . THR 18 18 52955 1 . GLN 19 19 52955 1 . GLU 20 20 52955 1 . GLU 21 21 52955 1 . ILE 22 22 52955 1 . LYS 23 23 52955 1 . ARG 24 24 52955 1 . ALA 25 25 52955 1 . TYR 26 26 52955 1 . LYS 27 27 52955 1 . ARG 28 28 52955 1 . LEU 29 29 52955 1 . ALA 30 30 52955 1 . ARG 31 31 52955 1 . GLN 32 32 52955 1 . TYR 33 33 52955 1 . HIS 34 34 52955 1 . PRO 35 35 52955 1 . ASP 36 36 52955 1 . VAL 37 37 52955 1 . ASN 38 38 52955 1 . LYS 39 39 52955 1 . SER 40 40 52955 1 . PRO 41 41 52955 1 . GLU 42 42 52955 1 . ALA 43 43 52955 1 . GLU 44 44 52955 1 . GLU 45 45 52955 1 . LYS 46 46 52955 1 . PHE 47 47 52955 1 . LYS 48 48 52955 1 . GLU 49 49 52955 1 . ILE 50 50 52955 1 . ASN 51 51 52955 1 . GLU 52 52 52955 1 . ALA 53 53 52955 1 . TYR 54 54 52955 1 . ALA 55 55 52955 1 . VAL 56 56 52955 1 . LEU 57 57 52955 1 . SER 58 58 52955 1 . ASP 59 59 52955 1 . PRO 60 60 52955 1 . GLU 61 61 52955 1 . LYS 62 62 52955 1 . ARG 63 63 52955 1 . ARG 64 64 52955 1 . ILE 65 65 52955 1 . TYR 66 66 52955 1 . ASP 67 67 52955 1 . THR 68 68 52955 1 . TYR 69 69 52955 1 . GLY 70 70 52955 1 . THR 71 71 52955 1 . THR 72 72 52955 1 . GLU 73 73 52955 1 . ALA 74 74 52955 1 . PRO 75 75 52955 1 . PRO 76 76 52955 1 . PRO 77 77 52955 1 . PRO 78 78 52955 1 . PRO 79 79 52955 1 . PRO 80 80 52955 1 . GLY 81 81 52955 1 . GLY 82 82 52955 1 . TYR 83 83 52955 1 . ASP 84 84 52955 1 . PHE 85 85 52955 1 . SER 86 86 52955 1 . GLY 87 87 52955 1 . PHE 88 88 52955 1 . ASP 89 89 52955 1 . VAL 90 90 52955 1 . GLU 91 91 52955 1 . ASP 92 92 52955 1 . PHE 93 93 52955 1 . SER 94 94 52955 1 . GLU 95 95 52955 1 . PHE 96 96 52955 1 . PHE 97 97 52955 1 . GLN 98 98 52955 1 . GLU 99 99 52955 1 . LEU 100 100 52955 1 . PHE 101 101 52955 1 . GLY 102 102 52955 1 . PRO 103 103 52955 1 . GLY 104 104 52955 1 . LEU 105 105 52955 1 . PHE 106 106 52955 1 . GLY 107 107 52955 1 . GLY 108 108 52955 1 . PHE 109 109 52955 1 . GLY 110 110 52955 1 . ARG 111 111 52955 1 . ARG 112 112 52955 1 . SER 113 113 52955 1 . ARG 114 114 52955 1 . LYS 115 115 52955 1 . GLY 116 116 52955 1 . ARG 117 117 52955 1 . ASP 118 118 52955 1 . LEU 119 119 52955 1 . ARG 120 120 52955 1 . ALA 121 121 52955 1 . GLU 122 122 52955 1 . LEU 123 123 52955 1 . PRO 124 124 52955 1 . LEU 125 125 52955 1 . THR 126 126 52955 1 . LEU 127 127 52955 1 . GLU 128 128 52955 1 . GLU 129 129 52955 1 . ALA 130 130 52955 1 . PHE 131 131 52955 1 . HIS 132 132 52955 1 . GLY 133 133 52955 1 . GLY 134 134 52955 1 . GLU 135 135 52955 1 . ARG 136 136 52955 1 . VAL 137 137 52955 1 . VAL 138 138 52955 1 . GLU 139 139 52955 1 . VAL 140 140 52955 1 . ALA 141 141 52955 1 . GLY 142 142 52955 1 . ARG 143 143 52955 1 . ARG 144 144 52955 1 . VAL 145 145 52955 1 . SER 146 146 52955 1 . VAL 147 147 52955 1 . ARG 148 148 52955 1 . ILE 149 149 52955 1 . PRO 150 150 52955 1 . PRO 151 151 52955 1 . GLY 152 152 52955 1 . VAL 153 153 52955 1 . ARG 154 154 52955 1 . GLU 155 155 52955 1 . GLY 156 156 52955 1 . SER 157 157 52955 1 . VAL 158 158 52955 1 . ILE 159 159 52955 1 . ARG 160 160 52955 1 . VAL 161 161 52955 1 . PRO 162 162 52955 1 . GLY 163 163 52955 1 . MET 164 164 52955 1 . GLY 165 165 52955 1 . GLY 166 166 52955 1 . GLN 167 167 52955 1 . GLY 168 168 52955 1 . ASN 169 169 52955 1 . PRO 170 170 52955 1 . PRO 171 171 52955 1 . GLY 172 172 52955 1 . ASP 173 173 52955 1 . LEU 174 174 52955 1 . LEU 175 175 52955 1 . LEU 176 176 52955 1 . VAL 177 177 52955 1 . VAL 178 178 52955 1 . ARG 179 179 52955 1 . LEU 180 180 52955 1 . LEU 181 181 52955 1 . PRO 182 182 52955 1 . HIS 183 183 52955 1 . PRO 184 184 52955 1 . VAL 185 185 52955 1 . PHE 186 186 52955 1 . ARG 187 187 52955 1 . LEU 188 188 52955 1 . GLU 189 189 52955 1 . GLY 190 190 52955 1 . GLN 191 191 52955 1 . ASP 192 192 52955 1 . LEU 193 193 52955 1 . TYR 194 194 52955 1 . ALA 195 195 52955 1 . THR 196 196 52955 1 . LEU 197 197 52955 1 . ASP 198 198 52955 1 . VAL 199 199 52955 1 . PRO 200 200 52955 1 . ALA 201 201 52955 1 . PRO 202 202 52955 1 . ILE 203 203 52955 1 . ALA 204 204 52955 1 . VAL 205 205 52955 1 . VAL 206 206 52955 1 . GLY 207 207 52955 1 . GLY 208 208 52955 1 . LYS 209 209 52955 1 . VAL 210 210 52955 1 . ARG 211 211 52955 1 . ALA 212 212 52955 1 . MET 213 213 52955 1 . THR 214 214 52955 1 . LEU 215 215 52955 1 . GLU 216 216 52955 1 . GLY 217 217 52955 1 . PRO 218 218 52955 1 . VAL 219 219 52955 1 . GLU 220 220 52955 1 . VAL 221 221 52955 1 . ALA 222 222 52955 1 . VAL 223 223 52955 1 . PRO 224 224 52955 1 . PRO 225 225 52955 1 . ARG 226 226 52955 1 . THR 227 227 52955 1 . GLN 228 228 52955 1 . ALA 229 229 52955 1 . GLY 230 230 52955 1 . ARG 231 231 52955 1 . LYS 232 232 52955 1 . LEU 233 233 52955 1 . ARG 234 234 52955 1 . LEU 235 235 52955 1 . LYS 236 236 52955 1 . GLY 237 237 52955 1 . LYS 238 238 52955 1 . GLY 239 239 52955 1 . PHE 240 240 52955 1 . PRO 241 241 52955 1 . GLY 242 242 52955 1 . PRO 243 243 52955 1 . ALA 244 244 52955 1 . GLY 245 245 52955 1 . ARG 246 246 52955 1 . GLY 247 247 52955 1 . ASP 248 248 52955 1 . LEU 249 249 52955 1 . TYR 250 250 52955 1 . LEU 251 251 52955 1 . GLU 252 252 52955 1 . VAL 253 253 52955 1 . ARG 254 254 52955 1 . ILE 255 255 52955 1 . THR 256 256 52955 1 . ILE 257 257 52955 1 . PRO 258 258 52955 1 . GLU 259 259 52955 1 . ARG 260 260 52955 1 . LEU 261 261 52955 1 . THR 262 262 52955 1 . PRO 263 263 52955 1 . GLU 264 264 52955 1 . GLU 265 265 52955 1 . GLU 266 266 52955 1 . ALA 267 267 52955 1 . LEU 268 268 52955 1 . TRP 269 269 52955 1 . LYS 270 270 52955 1 . LYS 271 271 52955 1 . LEU 272 272 52955 1 . ALA 273 273 52955 1 . GLU 274 274 52955 1 . ALA 275 275 52955 1 . TYR 276 276 52955 1 . TYR 277 277 52955 1 . ALA 278 278 52955 1 . ARG 279 279 52955 1 . ALA 280 280 52955 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52955 _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 . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus . . . . . . . . . . . . . 52955 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52955 _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 . 'purified from the natural source' . . . . . . . . . . . . . . . . 52955 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52955 _Sample.ID 1 _Sample.Name DnaJ _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 DnaJ '[U-15N; U-2H; 99% 13CH3-Ile,Leu,Val, Met, Ala, The]' . . 1 $entity_1 . . 100 . . uM . . . . 52955 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 52955 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 52955 1 4 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 52955 1 5 'sodium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 52955 1 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 52955 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _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' 0.1 . M 52955 1 pH 7.0 . pH 52955 1 pressure 1 . atm 52955 1 temperature 315 . K 52955 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52955 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52955 1 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 52955 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52955 _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 HMQC' yes no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52955 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-13C HMQC' DNAJHMQC.zip . 'Time-domain (raw spectral data)' . . 52955 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 52955 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'IUPAC referencing' _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 0.00 na indirect 0.251449530 . . . . . 52955 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52955 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52955 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 52955 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Methyl assignment' _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 HMQC' . . . 52955 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52955 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 2 2 ALA HB1 H 1 1.418 0.000 . . . . . . . 2 ALA HB . 52955 1 2 . 1 . 1 2 2 ALA HB2 H 1 1.418 0.000 . . . . . . . 2 ALA HB . 52955 1 3 . 1 . 1 2 2 ALA HB3 H 1 1.418 0.000 . . . . . . . 2 ALA HB . 52955 1 4 . 1 . 1 2 2 ALA CB C 13 19.201 0.000 . . . . . . . 2 ALA CB . 52955 1 5 . 1 . 1 9 9 ALA HB1 H 1 1.438 0.000 . . . . . . . 9 ALA HB . 52955 1 6 . 1 . 1 9 9 ALA HB2 H 1 1.438 0.000 . . . . . . . 9 ALA HB . 52955 1 7 . 1 . 1 9 9 ALA HB3 H 1 1.438 0.000 . . . . . . . 9 ALA HB . 52955 1 8 . 1 . 1 9 9 ALA CB C 13 18.043 0.000 . . . . . . . 9 ALA CB . 52955 1 9 . 1 . 1 10 10 ILE HD11 H 1 0.852 0.000 . . . . . . . 10 ILE HD1 . 52955 1 10 . 1 . 1 10 10 ILE HD12 H 1 0.852 0.000 . . . . . . . 10 ILE HD1 . 52955 1 11 . 1 . 1 10 10 ILE HD13 H 1 0.852 0.000 . . . . . . . 10 ILE HD1 . 52955 1 12 . 1 . 1 10 10 ILE CD1 C 13 13.973 0.000 . . . . . . . 10 ILE CD1 . 52955 1 13 . 1 . 1 11 11 LEU HD11 H 1 0.902 0.000 . . . . . . . 11 LEU HD1 . 52955 1 14 . 1 . 1 11 11 LEU HD12 H 1 0.902 0.000 . . . . . . . 11 LEU HD1 . 52955 1 15 . 1 . 1 11 11 LEU HD13 H 1 0.902 0.000 . . . . . . . 11 LEU HD1 . 52955 1 16 . 1 . 1 11 11 LEU HD21 H 1 1.019 0.000 . . . . . . . 11 LEU HD2 . 52955 1 17 . 1 . 1 11 11 LEU HD22 H 1 1.019 0.000 . . . . . . . 11 LEU HD2 . 52955 1 18 . 1 . 1 11 11 LEU HD23 H 1 1.019 0.000 . . . . . . . 11 LEU HD2 . 52955 1 19 . 1 . 1 11 11 LEU CD1 C 13 26.792 0.000 . . . . . . . 11 LEU CD1 . 52955 1 20 . 1 . 1 11 11 LEU CD2 C 13 23.336 0.000 . . . . . . . 11 LEU CD2 . 52955 1 21 . 1 . 1 13 13 VAL HG11 H 1 0.843 0.000 . . . . . . . 13 VAL HG1 . 52955 1 22 . 1 . 1 13 13 VAL HG12 H 1 0.843 0.000 . . . . . . . 13 VAL HG1 . 52955 1 23 . 1 . 1 13 13 VAL HG13 H 1 0.843 0.000 . . . . . . . 13 VAL HG1 . 52955 1 24 . 1 . 1 13 13 VAL HG21 H 1 1.023 0.000 . . . . . . . 13 VAL HG2 . 52955 1 25 . 1 . 1 13 13 VAL HG22 H 1 1.023 0.000 . . . . . . . 13 VAL HG2 . 52955 1 26 . 1 . 1 13 13 VAL HG23 H 1 1.023 0.000 . . . . . . . 13 VAL HG2 . 52955 1 27 . 1 . 1 13 13 VAL CG1 C 13 22.206 0.000 . . . . . . . 13 VAL CG1 . 52955 1 28 . 1 . 1 13 13 VAL CG2 C 13 18.728 0.000 . . . . . . . 13 VAL CG2 . 52955 1 29 . 1 . 1 17 17 ALA HB1 H 1 1.576 0.000 . . . . . . . 17 ALA HB . 52955 1 30 . 1 . 1 17 17 ALA HB2 H 1 1.576 0.000 . . . . . . . 17 ALA HB . 52955 1 31 . 1 . 1 17 17 ALA HB3 H 1 1.576 0.000 . . . . . . . 17 ALA HB . 52955 1 32 . 1 . 1 17 17 ALA CB C 13 19.655 0.000 . . . . . . . 17 ALA CB . 52955 1 33 . 1 . 1 18 18 THR HG21 H 1 1.467 0.000 . . . . . . . 18 THR HG2 . 52955 1 34 . 1 . 1 18 18 THR HG22 H 1 1.467 0.000 . . . . . . . 18 THR HG2 . 52955 1 35 . 1 . 1 18 18 THR HG23 H 1 1.467 0.000 . . . . . . . 18 THR HG2 . 52955 1 36 . 1 . 1 18 18 THR CG2 C 13 21.858 0.000 . . . . . . . 18 THR CG2 . 52955 1 37 . 1 . 1 22 22 ILE HD11 H 1 0.815 0.000 . . . . . . . 22 ILE HD1 . 52955 1 38 . 1 . 1 22 22 ILE HD12 H 1 0.815 0.000 . . . . . . . 22 ILE HD1 . 52955 1 39 . 1 . 1 22 22 ILE HD13 H 1 0.815 0.000 . . . . . . . 22 ILE HD1 . 52955 1 40 . 1 . 1 22 22 ILE CD1 C 13 13.740 0.000 . . . . . . . 22 ILE CD1 . 52955 1 41 . 1 . 1 25 25 ALA HB1 H 1 1.681 0.000 . . . . . . . 25 ALA HB . 52955 1 42 . 1 . 1 25 25 ALA HB2 H 1 1.681 0.000 . . . . . . . 25 ALA HB . 52955 1 43 . 1 . 1 25 25 ALA HB3 H 1 1.681 0.000 . . . . . . . 25 ALA HB . 52955 1 44 . 1 . 1 25 25 ALA CB C 13 18.936 0.000 . . . . . . . 25 ALA CB . 52955 1 45 . 1 . 1 29 29 LEU HD11 H 1 1.072 0.000 . . . . . . . 29 LEU HD1 . 52955 1 46 . 1 . 1 29 29 LEU HD12 H 1 1.072 0.000 . . . . . . . 29 LEU HD1 . 52955 1 47 . 1 . 1 29 29 LEU HD13 H 1 1.072 0.000 . . . . . . . 29 LEU HD1 . 52955 1 48 . 1 . 1 29 29 LEU HD21 H 1 1.046 0.000 . . . . . . . 29 LEU HD2 . 52955 1 49 . 1 . 1 29 29 LEU HD22 H 1 1.046 0.000 . . . . . . . 29 LEU HD2 . 52955 1 50 . 1 . 1 29 29 LEU HD23 H 1 1.046 0.000 . . . . . . . 29 LEU HD2 . 52955 1 51 . 1 . 1 29 29 LEU CD1 C 13 26.711 0.000 . . . . . . . 29 LEU CD1 . 52955 1 52 . 1 . 1 29 29 LEU CD2 C 13 22.873 0.000 . . . . . . . 29 LEU CD2 . 52955 1 53 . 1 . 1 30 30 ALA HB1 H 1 1.057 0.000 . . . . . . . 30 ALA HB . 52955 1 54 . 1 . 1 30 30 ALA HB2 H 1 1.057 0.000 . . . . . . . 30 ALA HB . 52955 1 55 . 1 . 1 30 30 ALA HB3 H 1 1.057 0.000 . . . . . . . 30 ALA HB . 52955 1 56 . 1 . 1 30 30 ALA CB C 13 16.967 0.000 . . . . . . . 30 ALA CB . 52955 1 57 . 1 . 1 37 37 VAL HG11 H 1 0.880 0.000 . . . . . . . 37 VAL HG1 . 52955 1 58 . 1 . 1 37 37 VAL HG12 H 1 0.880 0.000 . . . . . . . 37 VAL HG1 . 52955 1 59 . 1 . 1 37 37 VAL HG13 H 1 0.880 0.000 . . . . . . . 37 VAL HG1 . 52955 1 60 . 1 . 1 37 37 VAL HG21 H 1 0.874 0.000 . . . . . . . 37 VAL HG2 . 52955 1 61 . 1 . 1 37 37 VAL HG22 H 1 0.874 0.000 . . . . . . . 37 VAL HG2 . 52955 1 62 . 1 . 1 37 37 VAL HG23 H 1 0.874 0.000 . . . . . . . 37 VAL HG2 . 52955 1 63 . 1 . 1 37 37 VAL CG1 C 13 20.946 0.000 . . . . . . . 37 VAL CG1 . 52955 1 64 . 1 . 1 37 37 VAL CG2 C 13 20.100 0.000 . . . . . . . 37 VAL CG2 . 52955 1 65 . 1 . 1 43 43 ALA HB1 H 1 1.612 0.000 . . . . . . . 43 ALA HB . 52955 1 66 . 1 . 1 43 43 ALA HB2 H 1 1.612 0.000 . . . . . . . 43 ALA HB . 52955 1 67 . 1 . 1 43 43 ALA HB3 H 1 1.612 0.000 . . . . . . . 43 ALA HB . 52955 1 68 . 1 . 1 43 43 ALA CB C 13 18.181 0.000 . . . . . . . 43 ALA CB . 52955 1 69 . 1 . 1 50 50 ILE HD11 H 1 0.785 0.000 . . . . . . . 50 ILE HD1 . 52955 1 70 . 1 . 1 50 50 ILE HD12 H 1 0.785 0.000 . . . . . . . 50 ILE HD1 . 52955 1 71 . 1 . 1 50 50 ILE HD13 H 1 0.785 0.000 . . . . . . . 50 ILE HD1 . 52955 1 72 . 1 . 1 50 50 ILE CD1 C 13 15.516 0.000 . . . . . . . 50 ILE CD1 . 52955 1 73 . 1 . 1 55 55 ALA HB1 H 1 0.513 0.000 . . . . . . . 55 ALA HB . 52955 1 74 . 1 . 1 55 55 ALA HB2 H 1 0.513 0.000 . . . . . . . 55 ALA HB . 52955 1 75 . 1 . 1 55 55 ALA HB3 H 1 0.513 0.000 . . . . . . . 55 ALA HB . 52955 1 76 . 1 . 1 55 55 ALA CB C 13 16.672 0.000 . . . . . . . 55 ALA CB . 52955 1 77 . 1 . 1 56 56 VAL HG11 H 1 0.823 0.000 . . . . . . . 56 VAL HG1 . 52955 1 78 . 1 . 1 56 56 VAL HG12 H 1 0.823 0.000 . . . . . . . 56 VAL HG1 . 52955 1 79 . 1 . 1 56 56 VAL HG13 H 1 0.823 0.000 . . . . . . . 56 VAL HG1 . 52955 1 80 . 1 . 1 56 56 VAL HG21 H 1 0.719 0.000 . . . . . . . 56 VAL HG2 . 52955 1 81 . 1 . 1 56 56 VAL HG22 H 1 0.719 0.000 . . . . . . . 56 VAL HG2 . 52955 1 82 . 1 . 1 56 56 VAL HG23 H 1 0.719 0.000 . . . . . . . 56 VAL HG2 . 52955 1 83 . 1 . 1 56 56 VAL CG1 C 13 22.672 0.000 . . . . . . . 56 VAL CG1 . 52955 1 84 . 1 . 1 56 56 VAL CG2 C 13 21.577 0.000 . . . . . . . 56 VAL CG2 . 52955 1 85 . 1 . 1 57 57 LEU HD11 H 1 0.187 0.000 . . . . . . . 57 LEU HD1 . 52955 1 86 . 1 . 1 57 57 LEU HD12 H 1 0.187 0.000 . . . . . . . 57 LEU HD1 . 52955 1 87 . 1 . 1 57 57 LEU HD13 H 1 0.187 0.000 . . . . . . . 57 LEU HD1 . 52955 1 88 . 1 . 1 57 57 LEU HD21 H 1 0.459 0.000 . . . . . . . 57 LEU HD2 . 52955 1 89 . 1 . 1 57 57 LEU HD22 H 1 0.459 0.000 . . . . . . . 57 LEU HD2 . 52955 1 90 . 1 . 1 57 57 LEU HD23 H 1 0.459 0.000 . . . . . . . 57 LEU HD2 . 52955 1 91 . 1 . 1 57 57 LEU CD1 C 13 25.416 0.000 . . . . . . . 57 LEU CD1 . 52955 1 92 . 1 . 1 57 57 LEU CD2 C 13 23.048 0.000 . . . . . . . 57 LEU CD2 . 52955 1 93 . 1 . 1 65 65 ILE HD11 H 1 1.069 0.000 . . . . . . . 65 ILE HD1 . 52955 1 94 . 1 . 1 65 65 ILE HD12 H 1 1.069 0.000 . . . . . . . 65 ILE HD1 . 52955 1 95 . 1 . 1 65 65 ILE HD13 H 1 1.069 0.000 . . . . . . . 65 ILE HD1 . 52955 1 96 . 1 . 1 65 65 ILE CD1 C 13 13.357 0.000 . . . . . . . 65 ILE CD1 . 52955 1 97 . 1 . 1 68 68 THR HG21 H 1 1.197 0.000 . . . . . . . 68 THR HG2 . 52955 1 98 . 1 . 1 68 68 THR HG22 H 1 1.197 0.000 . . . . . . . 68 THR HG2 . 52955 1 99 . 1 . 1 68 68 THR HG23 H 1 1.197 0.000 . . . . . . . 68 THR HG2 . 52955 1 100 . 1 . 1 68 68 THR CG2 C 13 21.407 0.000 . . . . . . . 68 THR CG2 . 52955 1 101 . 1 . 1 71 71 THR HG21 H 1 1.225 0.000 . . . . . . . 71 THR HG2 . 52955 1 102 . 1 . 1 71 71 THR HG22 H 1 1.225 0.000 . . . . . . . 71 THR HG2 . 52955 1 103 . 1 . 1 71 71 THR HG23 H 1 1.225 0.000 . . . . . . . 71 THR HG2 . 52955 1 104 . 1 . 1 71 71 THR CG2 C 13 21.645 0.000 . . . . . . . 71 THR CG2 . 52955 1 105 . 1 . 1 74 74 ALA HB1 H 1 1.348 0.000 . . . . . . . 74 ALA HB . 52955 1 106 . 1 . 1 74 74 ALA HB2 H 1 1.348 0.000 . . . . . . . 74 ALA HB . 52955 1 107 . 1 . 1 74 74 ALA HB3 H 1 1.348 0.000 . . . . . . . 74 ALA HB . 52955 1 108 . 1 . 1 74 74 ALA CB C 13 18.935 0.000 . . . . . . . 74 ALA CB . 52955 1 109 . 1 . 1 90 90 VAL HG11 H 1 0.431 0.000 . . . . . . . 90 VAL HG1 . 52955 1 110 . 1 . 1 90 90 VAL HG12 H 1 0.431 0.000 . . . . . . . 90 VAL HG1 . 52955 1 111 . 1 . 1 90 90 VAL HG13 H 1 0.431 0.000 . . . . . . . 90 VAL HG1 . 52955 1 112 . 1 . 1 90 90 VAL HG21 H 1 0.745 0.000 . . . . . . . 90 VAL HG2 . 52955 1 113 . 1 . 1 90 90 VAL HG22 H 1 0.745 0.000 . . . . . . . 90 VAL HG2 . 52955 1 114 . 1 . 1 90 90 VAL HG23 H 1 0.745 0.000 . . . . . . . 90 VAL HG2 . 52955 1 115 . 1 . 1 90 90 VAL CG1 C 13 21.444 0.000 . . . . . . . 90 VAL CG1 . 52955 1 116 . 1 . 1 90 90 VAL CG2 C 13 18.402 0.000 . . . . . . . 90 VAL CG2 . 52955 1 117 . 1 . 1 100 100 LEU HD11 H 1 0.414 0.000 . . . . . . . 100 LEU HD1 . 52955 1 118 . 1 . 1 100 100 LEU HD12 H 1 0.414 0.000 . . . . . . . 100 LEU HD1 . 52955 1 119 . 1 . 1 100 100 LEU HD13 H 1 0.414 0.000 . . . . . . . 100 LEU HD1 . 52955 1 120 . 1 . 1 100 100 LEU HD21 H 1 0.103 0.000 . . . . . . . 100 LEU HD2 . 52955 1 121 . 1 . 1 100 100 LEU HD22 H 1 0.103 0.000 . . . . . . . 100 LEU HD2 . 52955 1 122 . 1 . 1 100 100 LEU HD23 H 1 0.103 0.000 . . . . . . . 100 LEU HD2 . 52955 1 123 . 1 . 1 100 100 LEU CD1 C 13 26.124 0.000 . . . . . . . 100 LEU CD1 . 52955 1 124 . 1 . 1 100 100 LEU CD2 C 13 22.259 0.000 . . . . . . . 100 LEU CD2 . 52955 1 125 . 1 . 1 105 105 LEU HD11 H 1 0.885 0.000 . . . . . . . 105 LEU HD1 . 52955 1 126 . 1 . 1 105 105 LEU HD12 H 1 0.885 0.000 . . . . . . . 105 LEU HD1 . 52955 1 127 . 1 . 1 105 105 LEU HD13 H 1 0.885 0.000 . . . . . . . 105 LEU HD1 . 52955 1 128 . 1 . 1 105 105 LEU HD21 H 1 0.992 0.000 . . . . . . . 105 LEU HD2 . 52955 1 129 . 1 . 1 105 105 LEU HD22 H 1 0.992 0.000 . . . . . . . 105 LEU HD2 . 52955 1 130 . 1 . 1 105 105 LEU HD23 H 1 0.992 0.000 . . . . . . . 105 LEU HD2 . 52955 1 131 . 1 . 1 105 105 LEU CD1 C 13 25.506 0.000 . . . . . . . 105 LEU CD1 . 52955 1 132 . 1 . 1 105 105 LEU CD2 C 13 23.587 0.000 . . . . . . . 105 LEU CD2 . 52955 1 133 . 1 . 1 119 119 LEU HD11 H 1 0.824 0.000 . . . . . . . 119 LEU HD1 . 52955 1 134 . 1 . 1 119 119 LEU HD12 H 1 0.824 0.000 . . . . . . . 119 LEU HD1 . 52955 1 135 . 1 . 1 119 119 LEU HD13 H 1 0.824 0.000 . . . . . . . 119 LEU HD1 . 52955 1 136 . 1 . 1 119 119 LEU HD21 H 1 0.852 0.000 . . . . . . . 119 LEU HD2 . 52955 1 137 . 1 . 1 119 119 LEU HD22 H 1 0.852 0.000 . . . . . . . 119 LEU HD2 . 52955 1 138 . 1 . 1 119 119 LEU HD23 H 1 0.852 0.000 . . . . . . . 119 LEU HD2 . 52955 1 139 . 1 . 1 119 119 LEU CD1 C 13 23.188 0.000 . . . . . . . 119 LEU CD1 . 52955 1 140 . 1 . 1 119 119 LEU CD2 C 13 24.601 0.000 . . . . . . . 119 LEU CD2 . 52955 1 141 . 1 . 1 121 121 ALA HB1 H 1 1.314 0.000 . . . . . . . 121 ALA HB . 52955 1 142 . 1 . 1 121 121 ALA HB2 H 1 1.314 0.000 . . . . . . . 121 ALA HB . 52955 1 143 . 1 . 1 121 121 ALA HB3 H 1 1.314 0.000 . . . . . . . 121 ALA HB . 52955 1 144 . 1 . 1 121 121 ALA CB C 13 22.396 0.000 . . . . . . . 121 ALA CB . 52955 1 145 . 1 . 1 123 123 LEU HD11 H 1 0.810 0.000 . . . . . . . 123 LEU HD1 . 52955 1 146 . 1 . 1 123 123 LEU HD12 H 1 0.810 0.000 . . . . . . . 123 LEU HD1 . 52955 1 147 . 1 . 1 123 123 LEU HD13 H 1 0.810 0.000 . . . . . . . 123 LEU HD1 . 52955 1 148 . 1 . 1 123 123 LEU HD21 H 1 0.730 0.000 . . . . . . . 123 LEU HD2 . 52955 1 149 . 1 . 1 123 123 LEU HD22 H 1 0.730 0.000 . . . . . . . 123 LEU HD2 . 52955 1 150 . 1 . 1 123 123 LEU HD23 H 1 0.730 0.000 . . . . . . . 123 LEU HD2 . 52955 1 151 . 1 . 1 123 123 LEU CD1 C 13 23.507 0.000 . . . . . . . 123 LEU CD1 . 52955 1 152 . 1 . 1 123 123 LEU CD2 C 13 26.558 0.000 . . . . . . . 123 LEU CD2 . 52955 1 153 . 1 . 1 125 125 LEU HD11 H 1 0.720 0.000 . . . . . . . 125 LEU HD1 . 52955 1 154 . 1 . 1 125 125 LEU HD12 H 1 0.720 0.000 . . . . . . . 125 LEU HD1 . 52955 1 155 . 1 . 1 125 125 LEU HD13 H 1 0.720 0.000 . . . . . . . 125 LEU HD1 . 52955 1 156 . 1 . 1 125 125 LEU HD21 H 1 0.758 0.000 . . . . . . . 125 LEU HD2 . 52955 1 157 . 1 . 1 125 125 LEU HD22 H 1 0.758 0.000 . . . . . . . 125 LEU HD2 . 52955 1 158 . 1 . 1 125 125 LEU HD23 H 1 0.758 0.000 . . . . . . . 125 LEU HD2 . 52955 1 159 . 1 . 1 125 125 LEU CD1 C 13 27.651 0.000 . . . . . . . 125 LEU CD1 . 52955 1 160 . 1 . 1 125 125 LEU CD2 C 13 23.117 0.000 . . . . . . . 125 LEU CD2 . 52955 1 161 . 1 . 1 126 126 THR HG21 H 1 1.454 0.000 . . . . . . . 126 THR HG2 . 52955 1 162 . 1 . 1 126 126 THR HG22 H 1 1.454 0.000 . . . . . . . 126 THR HG2 . 52955 1 163 . 1 . 1 126 126 THR HG23 H 1 1.454 0.000 . . . . . . . 126 THR HG2 . 52955 1 164 . 1 . 1 126 126 THR CG2 C 13 22.591 0.000 . . . . . . . 126 THR CG2 . 52955 1 165 . 1 . 1 127 127 LEU HD11 H 1 0.773 0.000 . . . . . . . 127 LEU HD1 . 52955 1 166 . 1 . 1 127 127 LEU HD12 H 1 0.773 0.000 . . . . . . . 127 LEU HD1 . 52955 1 167 . 1 . 1 127 127 LEU HD13 H 1 0.773 0.000 . . . . . . . 127 LEU HD1 . 52955 1 168 . 1 . 1 127 127 LEU HD21 H 1 0.845 0.000 . . . . . . . 127 LEU HD2 . 52955 1 169 . 1 . 1 127 127 LEU HD22 H 1 0.845 0.000 . . . . . . . 127 LEU HD2 . 52955 1 170 . 1 . 1 127 127 LEU HD23 H 1 0.845 0.000 . . . . . . . 127 LEU HD2 . 52955 1 171 . 1 . 1 127 127 LEU CD1 C 13 24.982 0.000 . . . . . . . 127 LEU CD1 . 52955 1 172 . 1 . 1 127 127 LEU CD2 C 13 25.607 0.000 . . . . . . . 127 LEU CD2 . 52955 1 173 . 1 . 1 130 130 ALA HB1 H 1 1.694 0.000 . . . . . . . 130 ALA HB . 52955 1 174 . 1 . 1 130 130 ALA HB2 H 1 1.694 0.000 . . . . . . . 130 ALA HB . 52955 1 175 . 1 . 1 130 130 ALA HB3 H 1 1.694 0.000 . . . . . . . 130 ALA HB . 52955 1 176 . 1 . 1 130 130 ALA CB C 13 18.702 0.000 . . . . . . . 130 ALA CB . 52955 1 177 . 1 . 1 137 137 VAL HG11 H 1 0.749 0.000 . . . . . . . 137 VAL HG1 . 52955 1 178 . 1 . 1 137 137 VAL HG12 H 1 0.749 0.000 . . . . . . . 137 VAL HG1 . 52955 1 179 . 1 . 1 137 137 VAL HG13 H 1 0.749 0.000 . . . . . . . 137 VAL HG1 . 52955 1 180 . 1 . 1 137 137 VAL CG1 C 13 21.117 0.000 . . . . . . . 137 VAL CG1 . 52955 1 181 . 1 . 1 138 138 VAL HG11 H 1 0.798 0.000 . . . . . . . 138 VAL HG1 . 52955 1 182 . 1 . 1 138 138 VAL HG12 H 1 0.798 0.000 . . . . . . . 138 VAL HG1 . 52955 1 183 . 1 . 1 138 138 VAL HG13 H 1 0.798 0.000 . . . . . . . 138 VAL HG1 . 52955 1 184 . 1 . 1 138 138 VAL CG1 C 13 20.139 0.000 . . . . . . . 138 VAL CG1 . 52955 1 185 . 1 . 1 140 140 VAL HG11 H 1 0.839 0.000 . . . . . . . 140 VAL HG1 . 52955 1 186 . 1 . 1 140 140 VAL HG12 H 1 0.839 0.000 . . . . . . . 140 VAL HG1 . 52955 1 187 . 1 . 1 140 140 VAL HG13 H 1 0.839 0.000 . . . . . . . 140 VAL HG1 . 52955 1 188 . 1 . 1 140 140 VAL CG1 C 13 21.066 0.000 . . . . . . . 140 VAL CG1 . 52955 1 189 . 1 . 1 141 141 ALA HB1 H 1 1.384 0.000 . . . . . . . 141 ALA HB . 52955 1 190 . 1 . 1 141 141 ALA HB2 H 1 1.384 0.000 . . . . . . . 141 ALA HB . 52955 1 191 . 1 . 1 141 141 ALA HB3 H 1 1.384 0.000 . . . . . . . 141 ALA HB . 52955 1 192 . 1 . 1 141 141 ALA CB C 13 17.315 0.000 . . . . . . . 141 ALA CB . 52955 1 193 . 1 . 1 147 147 VAL HG11 H 1 0.757 0.000 . . . . . . . 147 VAL HG1 . 52955 1 194 . 1 . 1 147 147 VAL HG12 H 1 0.757 0.000 . . . . . . . 147 VAL HG1 . 52955 1 195 . 1 . 1 147 147 VAL HG13 H 1 0.757 0.000 . . . . . . . 147 VAL HG1 . 52955 1 196 . 1 . 1 147 147 VAL CG1 C 13 21.340 0.000 . . . . . . . 147 VAL CG1 . 52955 1 197 . 1 . 1 149 149 ILE HD11 H 1 0.638 0.000 . . . . . . . 149 ILE HD1 . 52955 1 198 . 1 . 1 149 149 ILE HD12 H 1 0.638 0.000 . . . . . . . 149 ILE HD1 . 52955 1 199 . 1 . 1 149 149 ILE HD13 H 1 0.638 0.000 . . . . . . . 149 ILE HD1 . 52955 1 200 . 1 . 1 149 149 ILE CD1 C 13 13.350 0.000 . . . . . . . 149 ILE CD1 . 52955 1 201 . 1 . 1 153 153 VAL HG11 H 1 1.002 0.000 . . . . . . . 153 VAL HG1 . 52955 1 202 . 1 . 1 153 153 VAL HG12 H 1 1.002 0.000 . . . . . . . 153 VAL HG1 . 52955 1 203 . 1 . 1 153 153 VAL HG13 H 1 1.002 0.000 . . . . . . . 153 VAL HG1 . 52955 1 204 . 1 . 1 153 153 VAL CG1 C 13 19.585 0.000 . . . . . . . 153 VAL CG1 . 52955 1 205 . 1 . 1 158 158 VAL HG11 H 1 0.972 0.000 . . . . . . . 158 VAL HG1 . 52955 1 206 . 1 . 1 158 158 VAL HG12 H 1 0.972 0.000 . . . . . . . 158 VAL HG1 . 52955 1 207 . 1 . 1 158 158 VAL HG13 H 1 0.972 0.000 . . . . . . . 158 VAL HG1 . 52955 1 208 . 1 . 1 158 158 VAL HG21 H 1 0.757 0.000 . . . . . . . 158 VAL HG2 . 52955 1 209 . 1 . 1 158 158 VAL HG22 H 1 0.757 0.000 . . . . . . . 158 VAL HG2 . 52955 1 210 . 1 . 1 158 158 VAL HG23 H 1 0.757 0.000 . . . . . . . 158 VAL HG2 . 52955 1 211 . 1 . 1 158 158 VAL CG1 C 13 21.463 0.000 . . . . . . . 158 VAL CG1 . 52955 1 212 . 1 . 1 158 158 VAL CG2 C 13 21.711 0.000 . . . . . . . 158 VAL CG2 . 52955 1 213 . 1 . 1 159 159 ILE HD11 H 1 0.785 0.000 . . . . . . . 159 ILE HD1 . 52955 1 214 . 1 . 1 159 159 ILE HD12 H 1 0.785 0.000 . . . . . . . 159 ILE HD1 . 52955 1 215 . 1 . 1 159 159 ILE HD13 H 1 0.785 0.000 . . . . . . . 159 ILE HD1 . 52955 1 216 . 1 . 1 159 159 ILE CD1 C 13 14.494 0.000 . . . . . . . 159 ILE CD1 . 52955 1 217 . 1 . 1 164 164 MET HE1 H 1 2.105 0.000 . . . . . . . 164 MET HE . 52955 1 218 . 1 . 1 164 164 MET HE2 H 1 2.105 0.000 . . . . . . . 164 MET HE . 52955 1 219 . 1 . 1 164 164 MET HE3 H 1 2.105 0.000 . . . . . . . 164 MET HE . 52955 1 220 . 1 . 1 164 164 MET CE C 13 17.849 0.000 . . . . . . . 164 MET CE . 52955 1 221 . 1 . 1 174 174 LEU HD11 H 1 0.742 0.000 . . . . . . . 174 LEU HD1 . 52955 1 222 . 1 . 1 174 174 LEU HD12 H 1 0.742 0.000 . . . . . . . 174 LEU HD1 . 52955 1 223 . 1 . 1 174 174 LEU HD13 H 1 0.742 0.000 . . . . . . . 174 LEU HD1 . 52955 1 224 . 1 . 1 174 174 LEU HD21 H 1 0.754 0.000 . . . . . . . 174 LEU HD2 . 52955 1 225 . 1 . 1 174 174 LEU HD22 H 1 0.754 0.000 . . . . . . . 174 LEU HD2 . 52955 1 226 . 1 . 1 174 174 LEU HD23 H 1 0.754 0.000 . . . . . . . 174 LEU HD2 . 52955 1 227 . 1 . 1 174 174 LEU CD1 C 13 26.389 0.000 . . . . . . . 174 LEU CD1 . 52955 1 228 . 1 . 1 174 174 LEU CD2 C 13 22.871 0.000 . . . . . . . 174 LEU CD2 . 52955 1 229 . 1 . 1 175 175 LEU HD11 H 1 0.737 0.000 . . . . . . . 175 LEU HD1 . 52955 1 230 . 1 . 1 175 175 LEU HD12 H 1 0.737 0.000 . . . . . . . 175 LEU HD1 . 52955 1 231 . 1 . 1 175 175 LEU HD13 H 1 0.737 0.000 . . . . . . . 175 LEU HD1 . 52955 1 232 . 1 . 1 175 175 LEU HD21 H 1 0.808 0.000 . . . . . . . 175 LEU HD2 . 52955 1 233 . 1 . 1 175 175 LEU HD22 H 1 0.808 0.000 . . . . . . . 175 LEU HD2 . 52955 1 234 . 1 . 1 175 175 LEU HD23 H 1 0.808 0.000 . . . . . . . 175 LEU HD2 . 52955 1 235 . 1 . 1 175 175 LEU CD1 C 13 23.631 0.000 . . . . . . . 175 LEU CD1 . 52955 1 236 . 1 . 1 175 175 LEU CD2 C 13 24.743 0.000 . . . . . . . 175 LEU CD2 . 52955 1 237 . 1 . 1 176 176 LEU HD11 H 1 0.790 0.000 . . . . . . . 176 LEU HD1 . 52955 1 238 . 1 . 1 176 176 LEU HD12 H 1 0.790 0.000 . . . . . . . 176 LEU HD1 . 52955 1 239 . 1 . 1 176 176 LEU HD13 H 1 0.790 0.000 . . . . . . . 176 LEU HD1 . 52955 1 240 . 1 . 1 176 176 LEU HD21 H 1 0.771 0.000 . . . . . . . 176 LEU HD2 . 52955 1 241 . 1 . 1 176 176 LEU HD22 H 1 0.771 0.000 . . . . . . . 176 LEU HD2 . 52955 1 242 . 1 . 1 176 176 LEU HD23 H 1 0.771 0.000 . . . . . . . 176 LEU HD2 . 52955 1 243 . 1 . 1 176 176 LEU CD1 C 13 27.095 0.000 . . . . . . . 176 LEU CD1 . 52955 1 244 . 1 . 1 176 176 LEU CD2 C 13 24.351 0.000 . . . . . . . 176 LEU CD2 . 52955 1 245 . 1 . 1 178 178 VAL HG21 H 1 0.676 0.000 . . . . . . . 178 VAL HG2 . 52955 1 246 . 1 . 1 178 178 VAL HG22 H 1 0.676 0.000 . . . . . . . 178 VAL HG2 . 52955 1 247 . 1 . 1 178 178 VAL HG23 H 1 0.676 0.000 . . . . . . . 178 VAL HG2 . 52955 1 248 . 1 . 1 178 178 VAL CG2 C 13 21.628 0.000 . . . . . . . 178 VAL CG2 . 52955 1 249 . 1 . 1 180 180 LEU HD11 H 1 0.834 0.000 . . . . . . . 180 LEU HD1 . 52955 1 250 . 1 . 1 180 180 LEU HD12 H 1 0.834 0.000 . . . . . . . 180 LEU HD1 . 52955 1 251 . 1 . 1 180 180 LEU HD13 H 1 0.834 0.000 . . . . . . . 180 LEU HD1 . 52955 1 252 . 1 . 1 180 180 LEU HD21 H 1 0.677 0.000 . . . . . . . 180 LEU HD2 . 52955 1 253 . 1 . 1 180 180 LEU HD22 H 1 0.677 0.000 . . . . . . . 180 LEU HD2 . 52955 1 254 . 1 . 1 180 180 LEU HD23 H 1 0.677 0.000 . . . . . . . 180 LEU HD2 . 52955 1 255 . 1 . 1 180 180 LEU CD1 C 13 25.823 0.000 . . . . . . . 180 LEU CD1 . 52955 1 256 . 1 . 1 180 180 LEU CD2 C 13 23.560 0.000 . . . . . . . 180 LEU CD2 . 52955 1 257 . 1 . 1 181 181 LEU HD11 H 1 0.942 0.000 . . . . . . . 181 LEU HD1 . 52955 1 258 . 1 . 1 181 181 LEU HD12 H 1 0.942 0.000 . . . . . . . 181 LEU HD1 . 52955 1 259 . 1 . 1 181 181 LEU HD13 H 1 0.942 0.000 . . . . . . . 181 LEU HD1 . 52955 1 260 . 1 . 1 181 181 LEU HD21 H 1 0.876 0.000 . . . . . . . 181 LEU HD2 . 52955 1 261 . 1 . 1 181 181 LEU HD22 H 1 0.876 0.000 . . . . . . . 181 LEU HD2 . 52955 1 262 . 1 . 1 181 181 LEU HD23 H 1 0.876 0.000 . . . . . . . 181 LEU HD2 . 52955 1 263 . 1 . 1 181 181 LEU CD1 C 13 22.456 0.000 . . . . . . . 181 LEU CD1 . 52955 1 264 . 1 . 1 181 181 LEU CD2 C 13 25.186 0.000 . . . . . . . 181 LEU CD2 . 52955 1 265 . 1 . 1 185 185 VAL HG21 H 1 0.152 0.000 . . . . . . . 185 VAL HG2 . 52955 1 266 . 1 . 1 185 185 VAL HG22 H 1 0.152 0.000 . . . . . . . 185 VAL HG2 . 52955 1 267 . 1 . 1 185 185 VAL HG23 H 1 0.152 0.000 . . . . . . . 185 VAL HG2 . 52955 1 268 . 1 . 1 185 185 VAL CG2 C 13 20.507 0.000 . . . . . . . 185 VAL CG2 . 52955 1 269 . 1 . 1 188 188 LEU HD11 H 1 0.191 0.000 . . . . . . . 188 LEU HD1 . 52955 1 270 . 1 . 1 188 188 LEU HD12 H 1 0.191 0.000 . . . . . . . 188 LEU HD1 . 52955 1 271 . 1 . 1 188 188 LEU HD13 H 1 0.191 0.000 . . . . . . . 188 LEU HD1 . 52955 1 272 . 1 . 1 188 188 LEU HD21 H 1 0.283 0.000 . . . . . . . 188 LEU HD2 . 52955 1 273 . 1 . 1 188 188 LEU HD22 H 1 0.283 0.000 . . . . . . . 188 LEU HD2 . 52955 1 274 . 1 . 1 188 188 LEU HD23 H 1 0.283 0.000 . . . . . . . 188 LEU HD2 . 52955 1 275 . 1 . 1 188 188 LEU CD1 C 13 25.590 0.000 . . . . . . . 188 LEU CD1 . 52955 1 276 . 1 . 1 188 188 LEU CD2 C 13 23.305 0.000 . . . . . . . 188 LEU CD2 . 52955 1 277 . 1 . 1 193 193 LEU HD11 H 1 0.640 0.000 . . . . . . . 193 LEU HD1 . 52955 1 278 . 1 . 1 193 193 LEU HD12 H 1 0.640 0.000 . . . . . . . 193 LEU HD1 . 52955 1 279 . 1 . 1 193 193 LEU HD13 H 1 0.640 0.000 . . . . . . . 193 LEU HD1 . 52955 1 280 . 1 . 1 193 193 LEU HD21 H 1 0.746 0.000 . . . . . . . 193 LEU HD2 . 52955 1 281 . 1 . 1 193 193 LEU HD22 H 1 0.746 0.000 . . . . . . . 193 LEU HD2 . 52955 1 282 . 1 . 1 193 193 LEU HD23 H 1 0.746 0.000 . . . . . . . 193 LEU HD2 . 52955 1 283 . 1 . 1 193 193 LEU CD1 C 13 25.845 0.000 . . . . . . . 193 LEU CD1 . 52955 1 284 . 1 . 1 193 193 LEU CD2 C 13 24.697 0.000 . . . . . . . 193 LEU CD2 . 52955 1 285 . 1 . 1 195 195 ALA HB1 H 1 1.269 0.000 . . . . . . . 195 ALA HB . 52955 1 286 . 1 . 1 195 195 ALA HB2 H 1 1.269 0.000 . . . . . . . 195 ALA HB . 52955 1 287 . 1 . 1 195 195 ALA HB3 H 1 1.269 0.000 . . . . . . . 195 ALA HB . 52955 1 288 . 1 . 1 195 195 ALA CB C 13 24.012 0.000 . . . . . . . 195 ALA CB . 52955 1 289 . 1 . 1 197 197 LEU HD11 H 1 0.583 0.000 . . . . . . . 197 LEU HD1 . 52955 1 290 . 1 . 1 197 197 LEU HD12 H 1 0.583 0.000 . . . . . . . 197 LEU HD1 . 52955 1 291 . 1 . 1 197 197 LEU HD13 H 1 0.583 0.000 . . . . . . . 197 LEU HD1 . 52955 1 292 . 1 . 1 197 197 LEU HD21 H 1 0.962 0.000 . . . . . . . 197 LEU HD2 . 52955 1 293 . 1 . 1 197 197 LEU HD22 H 1 0.962 0.000 . . . . . . . 197 LEU HD2 . 52955 1 294 . 1 . 1 197 197 LEU HD23 H 1 0.962 0.000 . . . . . . . 197 LEU HD2 . 52955 1 295 . 1 . 1 197 197 LEU CD1 C 13 26.088 0.000 . . . . . . . 197 LEU CD1 . 52955 1 296 . 1 . 1 197 197 LEU CD2 C 13 23.473 0.000 . . . . . . . 197 LEU CD2 . 52955 1 297 . 1 . 1 201 201 ALA HB1 H 1 1.608 0.000 . . . . . . . 201 ALA HB . 52955 1 298 . 1 . 1 201 201 ALA HB2 H 1 1.608 0.000 . . . . . . . 201 ALA HB . 52955 1 299 . 1 . 1 201 201 ALA HB3 H 1 1.608 0.000 . . . . . . . 201 ALA HB . 52955 1 300 . 1 . 1 201 201 ALA CB C 13 17.117 0.000 . . . . . . . 201 ALA CB . 52955 1 301 . 1 . 1 203 203 ILE HD11 H 1 0.727 0.000 . . . . . . . 203 ILE HD1 . 52955 1 302 . 1 . 1 203 203 ILE HD12 H 1 0.727 0.000 . . . . . . . 203 ILE HD1 . 52955 1 303 . 1 . 1 203 203 ILE HD13 H 1 0.727 0.000 . . . . . . . 203 ILE HD1 . 52955 1 304 . 1 . 1 203 203 ILE CD1 C 13 11.828 0.000 . . . . . . . 203 ILE CD1 . 52955 1 305 . 1 . 1 204 204 ALA HB1 H 1 1.468 0.000 . . . . . . . 204 ALA HB . 52955 1 306 . 1 . 1 204 204 ALA HB2 H 1 1.468 0.000 . . . . . . . 204 ALA HB . 52955 1 307 . 1 . 1 204 204 ALA HB3 H 1 1.468 0.000 . . . . . . . 204 ALA HB . 52955 1 308 . 1 . 1 204 204 ALA CB C 13 17.471 0.000 . . . . . . . 204 ALA CB . 52955 1 309 . 1 . 1 205 205 VAL HG11 H 1 0.062 0.000 . . . . . . . 205 VAL HG1 . 52955 1 310 . 1 . 1 205 205 VAL HG12 H 1 0.062 0.000 . . . . . . . 205 VAL HG1 . 52955 1 311 . 1 . 1 205 205 VAL HG13 H 1 0.062 0.000 . . . . . . . 205 VAL HG1 . 52955 1 312 . 1 . 1 205 205 VAL HG21 H 1 -0.373 0.000 . . . . . . . 205 VAL HG2 . 52955 1 313 . 1 . 1 205 205 VAL HG22 H 1 -0.373 0.000 . . . . . . . 205 VAL HG2 . 52955 1 314 . 1 . 1 205 205 VAL HG23 H 1 -0.373 0.000 . . . . . . . 205 VAL HG2 . 52955 1 315 . 1 . 1 205 205 VAL CG1 C 13 21.297 0.000 . . . . . . . 205 VAL CG1 . 52955 1 316 . 1 . 1 205 205 VAL CG2 C 13 21.239 0.000 . . . . . . . 205 VAL CG2 . 52955 1 317 . 1 . 1 206 206 VAL HG11 H 1 0.708 0.000 . . . . . . . 206 VAL HG1 . 52955 1 318 . 1 . 1 206 206 VAL HG12 H 1 0.708 0.000 . . . . . . . 206 VAL HG1 . 52955 1 319 . 1 . 1 206 206 VAL HG13 H 1 0.708 0.000 . . . . . . . 206 VAL HG1 . 52955 1 320 . 1 . 1 206 206 VAL HG21 H 1 1.070 0.000 . . . . . . . 206 VAL HG2 . 52955 1 321 . 1 . 1 206 206 VAL HG22 H 1 1.070 0.000 . . . . . . . 206 VAL HG2 . 52955 1 322 . 1 . 1 206 206 VAL HG23 H 1 1.070 0.000 . . . . . . . 206 VAL HG2 . 52955 1 323 . 1 . 1 206 206 VAL CG1 C 13 20.697 0.000 . . . . . . . 206 VAL CG1 . 52955 1 324 . 1 . 1 206 206 VAL CG2 C 13 21.695 0.000 . . . . . . . 206 VAL CG2 . 52955 1 325 . 1 . 1 210 210 VAL HG21 H 1 1.038 0.000 . . . . . . . 210 VAL HG2 . 52955 1 326 . 1 . 1 210 210 VAL HG22 H 1 1.038 0.000 . . . . . . . 210 VAL HG2 . 52955 1 327 . 1 . 1 210 210 VAL HG23 H 1 1.038 0.000 . . . . . . . 210 VAL HG2 . 52955 1 328 . 1 . 1 210 210 VAL CG2 C 13 22.149 0.000 . . . . . . . 210 VAL CG2 . 52955 1 329 . 1 . 1 212 212 ALA HB1 H 1 1.217 0.000 . . . . . . . 212 ALA HB . 52955 1 330 . 1 . 1 212 212 ALA HB2 H 1 1.217 0.000 . . . . . . . 212 ALA HB . 52955 1 331 . 1 . 1 212 212 ALA HB3 H 1 1.217 0.000 . . . . . . . 212 ALA HB . 52955 1 332 . 1 . 1 212 212 ALA CB C 13 22.833 0.000 . . . . . . . 212 ALA CB . 52955 1 333 . 1 . 1 213 213 MET HE1 H 1 2.155 0.000 . . . . . . . 213 MET HE . 52955 1 334 . 1 . 1 213 213 MET HE2 H 1 2.155 0.000 . . . . . . . 213 MET HE . 52955 1 335 . 1 . 1 213 213 MET HE3 H 1 2.155 0.000 . . . . . . . 213 MET HE . 52955 1 336 . 1 . 1 213 213 MET CE C 13 16.510 0.000 . . . . . . . 213 MET CE . 52955 1 337 . 1 . 1 214 214 THR HG21 H 1 1.064 0.000 . . . . . . . 214 THR HG2 . 52955 1 338 . 1 . 1 214 214 THR HG22 H 1 1.064 0.000 . . . . . . . 214 THR HG2 . 52955 1 339 . 1 . 1 214 214 THR HG23 H 1 1.064 0.000 . . . . . . . 214 THR HG2 . 52955 1 340 . 1 . 1 214 214 THR CG2 C 13 21.496 0.000 . . . . . . . 214 THR CG2 . 52955 1 341 . 1 . 1 215 215 LEU HD11 H 1 0.221 0.000 . . . . . . . 215 LEU HD1 . 52955 1 342 . 1 . 1 215 215 LEU HD12 H 1 0.221 0.000 . . . . . . . 215 LEU HD1 . 52955 1 343 . 1 . 1 215 215 LEU HD13 H 1 0.221 0.000 . . . . . . . 215 LEU HD1 . 52955 1 344 . 1 . 1 215 215 LEU HD21 H 1 0.362 0.000 . . . . . . . 215 LEU HD2 . 52955 1 345 . 1 . 1 215 215 LEU HD22 H 1 0.362 0.000 . . . . . . . 215 LEU HD2 . 52955 1 346 . 1 . 1 215 215 LEU HD23 H 1 0.362 0.000 . . . . . . . 215 LEU HD2 . 52955 1 347 . 1 . 1 215 215 LEU CD1 C 13 25.864 0.000 . . . . . . . 215 LEU CD1 . 52955 1 348 . 1 . 1 215 215 LEU CD2 C 13 23.457 0.000 . . . . . . . 215 LEU CD2 . 52955 1 349 . 1 . 1 219 219 VAL HG11 H 1 0.742 0.000 . . . . . . . 219 VAL HG1 . 52955 1 350 . 1 . 1 219 219 VAL HG12 H 1 0.742 0.000 . . . . . . . 219 VAL HG1 . 52955 1 351 . 1 . 1 219 219 VAL HG13 H 1 0.742 0.000 . . . . . . . 219 VAL HG1 . 52955 1 352 . 1 . 1 219 219 VAL HG21 H 1 0.791 0.000 . . . . . . . 219 VAL HG2 . 52955 1 353 . 1 . 1 219 219 VAL HG22 H 1 0.791 0.000 . . . . . . . 219 VAL HG2 . 52955 1 354 . 1 . 1 219 219 VAL HG23 H 1 0.791 0.000 . . . . . . . 219 VAL HG2 . 52955 1 355 . 1 . 1 219 219 VAL CG1 C 13 20.093 0.000 . . . . . . . 219 VAL CG1 . 52955 1 356 . 1 . 1 219 219 VAL CG2 C 13 21.272 0.000 . . . . . . . 219 VAL CG2 . 52955 1 357 . 1 . 1 221 221 VAL HG11 H 1 0.699 0.000 . . . . . . . 221 VAL HG1 . 52955 1 358 . 1 . 1 221 221 VAL HG12 H 1 0.699 0.000 . . . . . . . 221 VAL HG1 . 52955 1 359 . 1 . 1 221 221 VAL HG13 H 1 0.699 0.000 . . . . . . . 221 VAL HG1 . 52955 1 360 . 1 . 1 221 221 VAL HG21 H 1 0.755 0.000 . . . . . . . 221 VAL HG2 . 52955 1 361 . 1 . 1 221 221 VAL HG22 H 1 0.755 0.000 . . . . . . . 221 VAL HG2 . 52955 1 362 . 1 . 1 221 221 VAL HG23 H 1 0.755 0.000 . . . . . . . 221 VAL HG2 . 52955 1 363 . 1 . 1 221 221 VAL CG1 C 13 20.971 0.000 . . . . . . . 221 VAL CG1 . 52955 1 364 . 1 . 1 221 221 VAL CG2 C 13 21.861 0.000 . . . . . . . 221 VAL CG2 . 52955 1 365 . 1 . 1 222 222 ALA HB1 H 1 1.276 0.000 . . . . . . . 222 ALA HB . 52955 1 366 . 1 . 1 222 222 ALA HB2 H 1 1.276 0.000 . . . . . . . 222 ALA HB . 52955 1 367 . 1 . 1 222 222 ALA HB3 H 1 1.276 0.000 . . . . . . . 222 ALA HB . 52955 1 368 . 1 . 1 222 222 ALA CB C 13 18.335 0.000 . . . . . . . 222 ALA CB . 52955 1 369 . 1 . 1 227 227 THR HG21 H 1 1.105 0.000 . . . . . . . 227 THR HG2 . 52955 1 370 . 1 . 1 227 227 THR HG22 H 1 1.105 0.000 . . . . . . . 227 THR HG2 . 52955 1 371 . 1 . 1 227 227 THR HG23 H 1 1.105 0.000 . . . . . . . 227 THR HG2 . 52955 1 372 . 1 . 1 227 227 THR CG2 C 13 22.951 0.000 . . . . . . . 227 THR CG2 . 52955 1 373 . 1 . 1 229 229 ALA HB1 H 1 1.514 0.000 . . . . . . . 229 ALA HB . 52955 1 374 . 1 . 1 229 229 ALA HB2 H 1 1.514 0.000 . . . . . . . 229 ALA HB . 52955 1 375 . 1 . 1 229 229 ALA HB3 H 1 1.514 0.000 . . . . . . . 229 ALA HB . 52955 1 376 . 1 . 1 229 229 ALA CB C 13 18.195 0.000 . . . . . . . 229 ALA CB . 52955 1 377 . 1 . 1 233 233 LEU HD11 H 1 0.757 0.000 . . . . . . . 233 LEU HD1 . 52955 1 378 . 1 . 1 233 233 LEU HD12 H 1 0.757 0.000 . . . . . . . 233 LEU HD1 . 52955 1 379 . 1 . 1 233 233 LEU HD13 H 1 0.757 0.000 . . . . . . . 233 LEU HD1 . 52955 1 380 . 1 . 1 233 233 LEU CD1 C 13 25.716 0.000 . . . . . . . 233 LEU CD1 . 52955 1 381 . 1 . 1 235 235 LEU HD11 H 1 0.793 0.000 . . . . . . . 235 LEU HD1 . 52955 1 382 . 1 . 1 235 235 LEU HD12 H 1 0.793 0.000 . . . . . . . 235 LEU HD1 . 52955 1 383 . 1 . 1 235 235 LEU HD13 H 1 0.793 0.000 . . . . . . . 235 LEU HD1 . 52955 1 384 . 1 . 1 235 235 LEU HD21 H 1 0.733 0.000 . . . . . . . 235 LEU HD2 . 52955 1 385 . 1 . 1 235 235 LEU HD22 H 1 0.733 0.000 . . . . . . . 235 LEU HD2 . 52955 1 386 . 1 . 1 235 235 LEU HD23 H 1 0.733 0.000 . . . . . . . 235 LEU HD2 . 52955 1 387 . 1 . 1 235 235 LEU CD1 C 13 24.219 0.000 . . . . . . . 235 LEU CD1 . 52955 1 388 . 1 . 1 235 235 LEU CD2 C 13 24.865 0.000 . . . . . . . 235 LEU CD2 . 52955 1 389 . 1 . 1 244 244 ALA HB1 H 1 1.334 0.000 . . . . . . . 244 ALA HB . 52955 1 390 . 1 . 1 244 244 ALA HB2 H 1 1.334 0.000 . . . . . . . 244 ALA HB . 52955 1 391 . 1 . 1 244 244 ALA HB3 H 1 1.334 0.000 . . . . . . . 244 ALA HB . 52955 1 392 . 1 . 1 244 244 ALA CB C 13 18.507 0.000 . . . . . . . 244 ALA CB . 52955 1 393 . 1 . 1 249 249 LEU HD11 H 1 0.864 0.000 . . . . . . . 249 LEU HD1 . 52955 1 394 . 1 . 1 249 249 LEU HD12 H 1 0.864 0.000 . . . . . . . 249 LEU HD1 . 52955 1 395 . 1 . 1 249 249 LEU HD13 H 1 0.864 0.000 . . . . . . . 249 LEU HD1 . 52955 1 396 . 1 . 1 249 249 LEU HD21 H 1 0.839 0.000 . . . . . . . 249 LEU HD2 . 52955 1 397 . 1 . 1 249 249 LEU HD22 H 1 0.839 0.000 . . . . . . . 249 LEU HD2 . 52955 1 398 . 1 . 1 249 249 LEU HD23 H 1 0.839 0.000 . . . . . . . 249 LEU HD2 . 52955 1 399 . 1 . 1 249 249 LEU CD1 C 13 26.587 0.000 . . . . . . . 249 LEU CD1 . 52955 1 400 . 1 . 1 249 249 LEU CD2 C 13 24.013 0.000 . . . . . . . 249 LEU CD2 . 52955 1 401 . 1 . 1 251 251 LEU HD11 H 1 0.818 0.000 . . . . . . . 251 LEU HD1 . 52955 1 402 . 1 . 1 251 251 LEU HD12 H 1 0.818 0.000 . . . . . . . 251 LEU HD1 . 52955 1 403 . 1 . 1 251 251 LEU HD13 H 1 0.818 0.000 . . . . . . . 251 LEU HD1 . 52955 1 404 . 1 . 1 251 251 LEU HD21 H 1 0.767 0.000 . . . . . . . 251 LEU HD2 . 52955 1 405 . 1 . 1 251 251 LEU HD22 H 1 0.767 0.000 . . . . . . . 251 LEU HD2 . 52955 1 406 . 1 . 1 251 251 LEU HD23 H 1 0.767 0.000 . . . . . . . 251 LEU HD2 . 52955 1 407 . 1 . 1 251 251 LEU CD1 C 13 23.892 0.000 . . . . . . . 251 LEU CD1 . 52955 1 408 . 1 . 1 251 251 LEU CD2 C 13 27.136 0.000 . . . . . . . 251 LEU CD2 . 52955 1 409 . 1 . 1 253 253 VAL HG21 H 1 0.993 0.000 . . . . . . . 253 VAL HG2 . 52955 1 410 . 1 . 1 253 253 VAL HG22 H 1 0.993 0.000 . . . . . . . 253 VAL HG2 . 52955 1 411 . 1 . 1 253 253 VAL HG23 H 1 0.993 0.000 . . . . . . . 253 VAL HG2 . 52955 1 412 . 1 . 1 253 253 VAL CG2 C 13 21.988 0.000 . . . . . . . 253 VAL CG2 . 52955 1 413 . 1 . 1 255 255 ILE HD11 H 1 0.724 0.000 . . . . . . . 255 ILE HD1 . 52955 1 414 . 1 . 1 255 255 ILE HD12 H 1 0.724 0.000 . . . . . . . 255 ILE HD1 . 52955 1 415 . 1 . 1 255 255 ILE HD13 H 1 0.724 0.000 . . . . . . . 255 ILE HD1 . 52955 1 416 . 1 . 1 255 255 ILE CD1 C 13 11.377 0.000 . . . . . . . 255 ILE CD1 . 52955 1 417 . 1 . 1 256 256 THR HG21 H 1 1.018 0.073 . . . . . . . 256 THR HG2 . 52955 1 418 . 1 . 1 256 256 THR HG22 H 1 1.018 0.073 . . . . . . . 256 THR HG2 . 52955 1 419 . 1 . 1 256 256 THR HG23 H 1 1.018 0.073 . . . . . . . 256 THR HG2 . 52955 1 420 . 1 . 1 256 256 THR CG2 C 13 21.122 0.836 . . . . . . . 256 THR CG2 . 52955 1 421 . 1 . 1 257 257 ILE HD11 H 1 0.264 0.000 . . . . . . . 257 ILE HD1 . 52955 1 422 . 1 . 1 257 257 ILE HD12 H 1 0.264 0.000 . . . . . . . 257 ILE HD1 . 52955 1 423 . 1 . 1 257 257 ILE HD13 H 1 0.264 0.000 . . . . . . . 257 ILE HD1 . 52955 1 424 . 1 . 1 257 257 ILE CD1 C 13 14.131 0.000 . . . . . . . 257 ILE CD1 . 52955 1 425 . 1 . 1 261 261 LEU HD11 H 1 0.582 0.000 . . . . . . . 261 LEU HD1 . 52955 1 426 . 1 . 1 261 261 LEU HD12 H 1 0.582 0.000 . . . . . . . 261 LEU HD1 . 52955 1 427 . 1 . 1 261 261 LEU HD13 H 1 0.582 0.000 . . . . . . . 261 LEU HD1 . 52955 1 428 . 1 . 1 261 261 LEU HD21 H 1 0.709 0.000 . . . . . . . 261 LEU HD2 . 52955 1 429 . 1 . 1 261 261 LEU HD22 H 1 0.709 0.000 . . . . . . . 261 LEU HD2 . 52955 1 430 . 1 . 1 261 261 LEU HD23 H 1 0.709 0.000 . . . . . . . 261 LEU HD2 . 52955 1 431 . 1 . 1 261 261 LEU CD1 C 13 25.762 0.000 . . . . . . . 261 LEU CD1 . 52955 1 432 . 1 . 1 261 261 LEU CD2 C 13 25.364 0.000 . . . . . . . 261 LEU CD2 . 52955 1 433 . 1 . 1 262 262 THR HG21 H 1 1.429 0.000 . . . . . . . 262 THR HG2 . 52955 1 434 . 1 . 1 262 262 THR HG22 H 1 1.429 0.000 . . . . . . . 262 THR HG2 . 52955 1 435 . 1 . 1 262 262 THR HG23 H 1 1.429 0.000 . . . . . . . 262 THR HG2 . 52955 1 436 . 1 . 1 262 262 THR CG2 C 13 21.995 0.000 . . . . . . . 262 THR CG2 . 52955 1 437 . 1 . 1 272 272 LEU HD11 H 1 0.276 0.000 . . . . . . . 272 LEU HD1 . 52955 1 438 . 1 . 1 272 272 LEU HD12 H 1 0.276 0.000 . . . . . . . 272 LEU HD1 . 52955 1 439 . 1 . 1 272 272 LEU HD13 H 1 0.276 0.000 . . . . . . . 272 LEU HD1 . 52955 1 440 . 1 . 1 272 272 LEU HD21 H 1 -0.575 0.000 . . . . . . . 272 LEU HD2 . 52955 1 441 . 1 . 1 272 272 LEU HD22 H 1 -0.575 0.000 . . . . . . . 272 LEU HD2 . 52955 1 442 . 1 . 1 272 272 LEU HD23 H 1 -0.575 0.000 . . . . . . . 272 LEU HD2 . 52955 1 443 . 1 . 1 272 272 LEU CD1 C 13 23.820 0.000 . . . . . . . 272 LEU CD1 . 52955 1 444 . 1 . 1 272 272 LEU CD2 C 13 23.984 0.000 . . . . . . . 272 LEU CD2 . 52955 1 stop_ save_