data_25383 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25383 _Entry.Title ; Backbone chemical shift assignment of human TRAP1-NTD (60-296) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-12-08 _Entry.Accession_date 2014-12-08 _Entry.Last_release_date 2015-01-06 _Entry.Original_release_date 2015-01-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Yunhuang Yang . . . 25383 2 Theresa Ramelot . A. . 25383 3 Lei Mao . . . 25383 4 Rong Xiao . . . 25383 5 John Everett . K. . 25383 6 Gaetano Montelione . T. . 25383 7 Michael Kennedy . A. . 25383 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25383 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 158 25383 '13C chemical shifts' 472 25383 '15N chemical shifts' 158 25383 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 . . 2015-01-06 2014-12-08 original author . 25383 stop_ save_ ############### # Citations # ############### save_Backbone_chemical_shift_assignment_of_human_TRAP1-NTD_(60-296) _Citation.Sf_category citations _Citation.Sf_framecode Backbone_chemical_shift_assignment_of_human_TRAP1-NTD_(60-296) _Citation.Entry_ID 25383 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Backbone chemical shift assignment of human TRAP1-NTD (60-296)' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 . _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.Entry_ID _Citation_author.Citation_ID 1 Yunhuang Yang . . . 25383 1 2 Theresa Ramelot . A. . 25383 1 3 Lei Mao . . . 25383 1 4 Rong Xiao . . . 25383 1 5 John Everett . K. . 25383 1 6 Gaetano Montelione . T. . 25383 1 7 Michael Kennedy . A. . 25383 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25383 _Assembly.ID 1 _Assembly.Name 'human TRAP1-NTD' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 . _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 'human TRAP1-NTD' 1 $human_TRAP1-NTD A . yes native no no . . . 25383 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_human_TRAP1-NTD _Entity.Sf_category entity _Entity.Sf_framecode human_TRAP1-NTD _Entity.Entry_ID 25383 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name human_TRAP1-NTD _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 ; MGHHHHHHSHSTQTAEDKEE PLHSIISSTESVQGSTSKHE FQAETKKLLDIVARSLYSEK EVFIRELISNASDALEKLRH KLVSDGQALPEMEIHLQTNA EKGTITIQDTGIGMTQEELV SNLGTIARSGSKAFLDALQN QAEASSKIIGQFGVGFYSAF MVADRVEVYSRSAAPGSLGY QWLSDGSGVFEIAEASGVRT GTKIIIHLKSDCKEFSSEAR VRDVVTKYSNFVSFPLYLNG RRMNTLQ ; _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 247 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 4Z1F . "Crystal Structure Of Human Trap1 With Pu-h71" . . . . . 95.95 502 100.00 100.00 1.47e-166 . . . . 25383 1 2 no PDB 4Z1G . "Crystal Structure Of Human Trap1 With Biib-021" . . . . . 95.95 502 100.00 100.00 1.47e-166 . . . . 25383 1 3 no PDB 4Z1H . "Crystal Structure Of Human Trap1 With Smtin-p01" . . . . . 95.95 502 100.00 100.00 1.47e-166 . . . . 25383 1 4 no PDB 4Z1I . "Crystal Structure Of Human Trap1 With Amppnp" . . . . . 95.95 502 100.00 100.00 1.47e-166 . . . . 25383 1 5 no DBJ BAD93042 . "TNF receptor-associated protein 1 variant [Homo sapiens]" . . . . . 95.95 703 100.00 100.00 3.83e-164 . . . . 25383 1 6 no DBJ BAD96769 . "TNF receptor-associated protein 1 variant [Homo sapiens]" . . . . . 95.95 704 100.00 100.00 6.64e-164 . . . . 25383 1 7 no DBJ BAD96796 . "TNF receptor-associated protein 1 variant, partial [Homo sapiens]" . . . . . 95.95 704 100.00 100.00 6.64e-164 . . . . 25383 1 8 no DBJ BAD96925 . "TNF receptor-associated protein 1 variant [Homo sapiens]" . . . . . 95.95 704 100.00 100.00 5.83e-164 . . . . 25383 1 9 no DBJ BAG61180 . "unnamed protein product [Homo sapiens]" . . . . . 86.64 651 100.00 100.00 1.13e-147 . . . . 25383 1 10 no EMBL CAH92662 . "hypothetical protein [Pongo abelii]" . . . . . 95.95 704 97.47 98.31 6.75e-158 . . . . 25383 1 11 no GB AAA87704 . "tumor necrosis factor type 1 receptor associated protein, partial [Homo sapiens]" . . . . . 95.95 661 100.00 100.00 1.47e-164 . . . . 25383 1 12 no GB AAC02679 . "heat shock protein 75 [Homo sapiens]" . . . . . 95.95 649 100.00 100.00 7.73e-165 . . . . 25383 1 13 no GB AAC24722 . "TRAP1 [Homo sapiens]" . . . . . 95.95 616 100.00 100.00 3.15e-165 . . . . 25383 1 14 no GB AAF15314 . "tumor necrosis factor type 1 receptor associated protein [Homo sapiens]" . . . . . 95.95 704 100.00 100.00 6.64e-164 . . . . 25383 1 15 no GB AAH01455 . "TRAP1 protein, partial [Homo sapiens]" . . . . . 95.95 699 100.00 100.00 6.10e-164 . . . . 25383 1 16 no PIR A55877 . "tumor necrosis factor type 1 receptor associated protein TRAP-1 - human" . . . . . 95.95 661 100.00 100.00 1.47e-164 . . . . 25383 1 17 no REF NP_001126557 . "heat shock protein 75 kDa, mitochondrial [Pongo abelii]" . . . . . 95.95 704 97.47 98.31 6.75e-158 . . . . 25383 1 18 no REF NP_001258978 . "heat shock protein 75 kDa, mitochondrial isoform 2 [Homo sapiens]" . . . . . 86.64 651 100.00 100.00 1.15e-147 . . . . 25383 1 19 no REF NP_001267429 . "heat shock protein 75 kDa, mitochondrial [Pan troglodytes]" . . . . . 95.95 732 99.16 99.58 2.57e-162 . . . . 25383 1 20 no REF NP_057376 . "heat shock protein 75 kDa, mitochondrial isoform 1 precursor [Homo sapiens]" . . . . . 95.95 704 100.00 100.00 4.59e-164 . . . . 25383 1 21 no REF XP_003269265 . "PREDICTED: heat shock protein 75 kDa, mitochondrial [Nomascus leucogenys]" . . . . . 95.95 704 97.89 99.58 6.32e-161 . . . . 25383 1 22 no SP Q12931 . "RecName: Full=Heat shock protein 75 kDa, mitochondrial; Short=HSP 75; AltName: Full=TNFR-associated protein 1; AltName: Full=Tu" . . . . . 95.95 704 100.00 100.00 4.59e-164 . . . . 25383 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 50 MET . 25383 1 2 51 GLY . 25383 1 3 52 HIS . 25383 1 4 53 HIS . 25383 1 5 54 HIS . 25383 1 6 55 HIS . 25383 1 7 56 HIS . 25383 1 8 57 HIS . 25383 1 9 58 SER . 25383 1 10 59 HIS . 25383 1 11 60 SER . 25383 1 12 61 THR . 25383 1 13 62 GLN . 25383 1 14 63 THR . 25383 1 15 64 ALA . 25383 1 16 65 GLU . 25383 1 17 66 ASP . 25383 1 18 67 LYS . 25383 1 19 68 GLU . 25383 1 20 69 GLU . 25383 1 21 70 PRO . 25383 1 22 71 LEU . 25383 1 23 72 HIS . 25383 1 24 73 SER . 25383 1 25 74 ILE . 25383 1 26 75 ILE . 25383 1 27 76 SER . 25383 1 28 77 SER . 25383 1 29 78 THR . 25383 1 30 79 GLU . 25383 1 31 80 SER . 25383 1 32 81 VAL . 25383 1 33 82 GLN . 25383 1 34 83 GLY . 25383 1 35 84 SER . 25383 1 36 85 THR . 25383 1 37 86 SER . 25383 1 38 87 LYS . 25383 1 39 88 HIS . 25383 1 40 89 GLU . 25383 1 41 90 PHE . 25383 1 42 91 GLN . 25383 1 43 92 ALA . 25383 1 44 93 GLU . 25383 1 45 94 THR . 25383 1 46 95 LYS . 25383 1 47 96 LYS . 25383 1 48 97 LEU . 25383 1 49 98 LEU . 25383 1 50 99 ASP . 25383 1 51 100 ILE . 25383 1 52 101 VAL . 25383 1 53 102 ALA . 25383 1 54 103 ARG . 25383 1 55 104 SER . 25383 1 56 105 LEU . 25383 1 57 106 TYR . 25383 1 58 107 SER . 25383 1 59 108 GLU . 25383 1 60 109 LYS . 25383 1 61 110 GLU . 25383 1 62 111 VAL . 25383 1 63 112 PHE . 25383 1 64 113 ILE . 25383 1 65 114 ARG . 25383 1 66 115 GLU . 25383 1 67 116 LEU . 25383 1 68 117 ILE . 25383 1 69 118 SER . 25383 1 70 119 ASN . 25383 1 71 120 ALA . 25383 1 72 121 SER . 25383 1 73 122 ASP . 25383 1 74 123 ALA . 25383 1 75 124 LEU . 25383 1 76 125 GLU . 25383 1 77 126 LYS . 25383 1 78 127 LEU . 25383 1 79 128 ARG . 25383 1 80 129 HIS . 25383 1 81 130 LYS . 25383 1 82 131 LEU . 25383 1 83 132 VAL . 25383 1 84 133 SER . 25383 1 85 134 ASP . 25383 1 86 135 GLY . 25383 1 87 136 GLN . 25383 1 88 137 ALA . 25383 1 89 138 LEU . 25383 1 90 139 PRO . 25383 1 91 140 GLU . 25383 1 92 141 MET . 25383 1 93 142 GLU . 25383 1 94 143 ILE . 25383 1 95 144 HIS . 25383 1 96 145 LEU . 25383 1 97 146 GLN . 25383 1 98 147 THR . 25383 1 99 148 ASN . 25383 1 100 149 ALA . 25383 1 101 150 GLU . 25383 1 102 151 LYS . 25383 1 103 152 GLY . 25383 1 104 153 THR . 25383 1 105 154 ILE . 25383 1 106 155 THR . 25383 1 107 156 ILE . 25383 1 108 157 GLN . 25383 1 109 158 ASP . 25383 1 110 159 THR . 25383 1 111 160 GLY . 25383 1 112 161 ILE . 25383 1 113 162 GLY . 25383 1 114 163 MET . 25383 1 115 164 THR . 25383 1 116 165 GLN . 25383 1 117 166 GLU . 25383 1 118 167 GLU . 25383 1 119 168 LEU . 25383 1 120 169 VAL . 25383 1 121 170 SER . 25383 1 122 171 ASN . 25383 1 123 172 LEU . 25383 1 124 173 GLY . 25383 1 125 174 THR . 25383 1 126 175 ILE . 25383 1 127 176 ALA . 25383 1 128 177 ARG . 25383 1 129 178 SER . 25383 1 130 179 GLY . 25383 1 131 180 SER . 25383 1 132 181 LYS . 25383 1 133 182 ALA . 25383 1 134 183 PHE . 25383 1 135 184 LEU . 25383 1 136 185 ASP . 25383 1 137 186 ALA . 25383 1 138 187 LEU . 25383 1 139 188 GLN . 25383 1 140 189 ASN . 25383 1 141 190 GLN . 25383 1 142 191 ALA . 25383 1 143 192 GLU . 25383 1 144 193 ALA . 25383 1 145 194 SER . 25383 1 146 195 SER . 25383 1 147 196 LYS . 25383 1 148 197 ILE . 25383 1 149 198 ILE . 25383 1 150 199 GLY . 25383 1 151 200 GLN . 25383 1 152 201 PHE . 25383 1 153 202 GLY . 25383 1 154 203 VAL . 25383 1 155 204 GLY . 25383 1 156 205 PHE . 25383 1 157 206 TYR . 25383 1 158 207 SER . 25383 1 159 208 ALA . 25383 1 160 209 PHE . 25383 1 161 210 MET . 25383 1 162 211 VAL . 25383 1 163 212 ALA . 25383 1 164 213 ASP . 25383 1 165 214 ARG . 25383 1 166 215 VAL . 25383 1 167 216 GLU . 25383 1 168 217 VAL . 25383 1 169 218 TYR . 25383 1 170 219 SER . 25383 1 171 220 ARG . 25383 1 172 221 SER . 25383 1 173 222 ALA . 25383 1 174 223 ALA . 25383 1 175 224 PRO . 25383 1 176 225 GLY . 25383 1 177 226 SER . 25383 1 178 227 LEU . 25383 1 179 228 GLY . 25383 1 180 229 TYR . 25383 1 181 230 GLN . 25383 1 182 231 TRP . 25383 1 183 232 LEU . 25383 1 184 233 SER . 25383 1 185 234 ASP . 25383 1 186 235 GLY . 25383 1 187 236 SER . 25383 1 188 237 GLY . 25383 1 189 238 VAL . 25383 1 190 239 PHE . 25383 1 191 240 GLU . 25383 1 192 241 ILE . 25383 1 193 242 ALA . 25383 1 194 243 GLU . 25383 1 195 244 ALA . 25383 1 196 245 SER . 25383 1 197 246 GLY . 25383 1 198 247 VAL . 25383 1 199 248 ARG . 25383 1 200 249 THR . 25383 1 201 250 GLY . 25383 1 202 251 THR . 25383 1 203 252 LYS . 25383 1 204 253 ILE . 25383 1 205 254 ILE . 25383 1 206 255 ILE . 25383 1 207 256 HIS . 25383 1 208 257 LEU . 25383 1 209 258 LYS . 25383 1 210 259 SER . 25383 1 211 260 ASP . 25383 1 212 261 CYS . 25383 1 213 262 LYS . 25383 1 214 263 GLU . 25383 1 215 264 PHE . 25383 1 216 265 SER . 25383 1 217 266 SER . 25383 1 218 267 GLU . 25383 1 219 268 ALA . 25383 1 220 269 ARG . 25383 1 221 270 VAL . 25383 1 222 271 ARG . 25383 1 223 272 ASP . 25383 1 224 273 VAL . 25383 1 225 274 VAL . 25383 1 226 275 THR . 25383 1 227 276 LYS . 25383 1 228 277 TYR . 25383 1 229 278 SER . 25383 1 230 279 ASN . 25383 1 231 280 PHE . 25383 1 232 281 VAL . 25383 1 233 282 SER . 25383 1 234 283 PHE . 25383 1 235 284 PRO . 25383 1 236 285 LEU . 25383 1 237 286 TYR . 25383 1 238 287 LEU . 25383 1 239 288 ASN . 25383 1 240 289 GLY . 25383 1 241 290 ARG . 25383 1 242 291 ARG . 25383 1 243 292 MET . 25383 1 244 293 ASN . 25383 1 245 294 THR . 25383 1 246 295 LEU . 25383 1 247 296 GLN . 25383 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 25383 1 . GLY 2 2 25383 1 . HIS 3 3 25383 1 . HIS 4 4 25383 1 . HIS 5 5 25383 1 . HIS 6 6 25383 1 . HIS 7 7 25383 1 . HIS 8 8 25383 1 . SER 9 9 25383 1 . HIS 10 10 25383 1 . SER 11 11 25383 1 . THR 12 12 25383 1 . GLN 13 13 25383 1 . THR 14 14 25383 1 . ALA 15 15 25383 1 . GLU 16 16 25383 1 . ASP 17 17 25383 1 . LYS 18 18 25383 1 . GLU 19 19 25383 1 . GLU 20 20 25383 1 . PRO 21 21 25383 1 . LEU 22 22 25383 1 . HIS 23 23 25383 1 . SER 24 24 25383 1 . ILE 25 25 25383 1 . ILE 26 26 25383 1 . SER 27 27 25383 1 . SER 28 28 25383 1 . THR 29 29 25383 1 . GLU 30 30 25383 1 . SER 31 31 25383 1 . VAL 32 32 25383 1 . GLN 33 33 25383 1 . GLY 34 34 25383 1 . SER 35 35 25383 1 . THR 36 36 25383 1 . SER 37 37 25383 1 . LYS 38 38 25383 1 . HIS 39 39 25383 1 . GLU 40 40 25383 1 . PHE 41 41 25383 1 . GLN 42 42 25383 1 . ALA 43 43 25383 1 . GLU 44 44 25383 1 . THR 45 45 25383 1 . LYS 46 46 25383 1 . LYS 47 47 25383 1 . LEU 48 48 25383 1 . LEU 49 49 25383 1 . ASP 50 50 25383 1 . ILE 51 51 25383 1 . VAL 52 52 25383 1 . ALA 53 53 25383 1 . ARG 54 54 25383 1 . SER 55 55 25383 1 . LEU 56 56 25383 1 . TYR 57 57 25383 1 . SER 58 58 25383 1 . GLU 59 59 25383 1 . LYS 60 60 25383 1 . GLU 61 61 25383 1 . VAL 62 62 25383 1 . PHE 63 63 25383 1 . ILE 64 64 25383 1 . ARG 65 65 25383 1 . GLU 66 66 25383 1 . LEU 67 67 25383 1 . ILE 68 68 25383 1 . SER 69 69 25383 1 . ASN 70 70 25383 1 . ALA 71 71 25383 1 . SER 72 72 25383 1 . ASP 73 73 25383 1 . ALA 74 74 25383 1 . LEU 75 75 25383 1 . GLU 76 76 25383 1 . LYS 77 77 25383 1 . LEU 78 78 25383 1 . ARG 79 79 25383 1 . HIS 80 80 25383 1 . LYS 81 81 25383 1 . LEU 82 82 25383 1 . VAL 83 83 25383 1 . SER 84 84 25383 1 . ASP 85 85 25383 1 . GLY 86 86 25383 1 . GLN 87 87 25383 1 . ALA 88 88 25383 1 . LEU 89 89 25383 1 . PRO 90 90 25383 1 . GLU 91 91 25383 1 . MET 92 92 25383 1 . GLU 93 93 25383 1 . ILE 94 94 25383 1 . HIS 95 95 25383 1 . LEU 96 96 25383 1 . GLN 97 97 25383 1 . THR 98 98 25383 1 . ASN 99 99 25383 1 . ALA 100 100 25383 1 . GLU 101 101 25383 1 . LYS 102 102 25383 1 . GLY 103 103 25383 1 . THR 104 104 25383 1 . ILE 105 105 25383 1 . THR 106 106 25383 1 . ILE 107 107 25383 1 . GLN 108 108 25383 1 . ASP 109 109 25383 1 . THR 110 110 25383 1 . GLY 111 111 25383 1 . ILE 112 112 25383 1 . GLY 113 113 25383 1 . MET 114 114 25383 1 . THR 115 115 25383 1 . GLN 116 116 25383 1 . GLU 117 117 25383 1 . GLU 118 118 25383 1 . LEU 119 119 25383 1 . VAL 120 120 25383 1 . SER 121 121 25383 1 . ASN 122 122 25383 1 . LEU 123 123 25383 1 . GLY 124 124 25383 1 . THR 125 125 25383 1 . ILE 126 126 25383 1 . ALA 127 127 25383 1 . ARG 128 128 25383 1 . SER 129 129 25383 1 . GLY 130 130 25383 1 . SER 131 131 25383 1 . LYS 132 132 25383 1 . ALA 133 133 25383 1 . PHE 134 134 25383 1 . LEU 135 135 25383 1 . ASP 136 136 25383 1 . ALA 137 137 25383 1 . LEU 138 138 25383 1 . GLN 139 139 25383 1 . ASN 140 140 25383 1 . GLN 141 141 25383 1 . ALA 142 142 25383 1 . GLU 143 143 25383 1 . ALA 144 144 25383 1 . SER 145 145 25383 1 . SER 146 146 25383 1 . LYS 147 147 25383 1 . ILE 148 148 25383 1 . ILE 149 149 25383 1 . GLY 150 150 25383 1 . GLN 151 151 25383 1 . PHE 152 152 25383 1 . GLY 153 153 25383 1 . VAL 154 154 25383 1 . GLY 155 155 25383 1 . PHE 156 156 25383 1 . TYR 157 157 25383 1 . SER 158 158 25383 1 . ALA 159 159 25383 1 . PHE 160 160 25383 1 . MET 161 161 25383 1 . VAL 162 162 25383 1 . ALA 163 163 25383 1 . ASP 164 164 25383 1 . ARG 165 165 25383 1 . VAL 166 166 25383 1 . GLU 167 167 25383 1 . VAL 168 168 25383 1 . TYR 169 169 25383 1 . SER 170 170 25383 1 . ARG 171 171 25383 1 . SER 172 172 25383 1 . ALA 173 173 25383 1 . ALA 174 174 25383 1 . PRO 175 175 25383 1 . GLY 176 176 25383 1 . SER 177 177 25383 1 . LEU 178 178 25383 1 . GLY 179 179 25383 1 . TYR 180 180 25383 1 . GLN 181 181 25383 1 . TRP 182 182 25383 1 . LEU 183 183 25383 1 . SER 184 184 25383 1 . ASP 185 185 25383 1 . GLY 186 186 25383 1 . SER 187 187 25383 1 . GLY 188 188 25383 1 . VAL 189 189 25383 1 . PHE 190 190 25383 1 . GLU 191 191 25383 1 . ILE 192 192 25383 1 . ALA 193 193 25383 1 . GLU 194 194 25383 1 . ALA 195 195 25383 1 . SER 196 196 25383 1 . GLY 197 197 25383 1 . VAL 198 198 25383 1 . ARG 199 199 25383 1 . THR 200 200 25383 1 . GLY 201 201 25383 1 . THR 202 202 25383 1 . LYS 203 203 25383 1 . ILE 204 204 25383 1 . ILE 205 205 25383 1 . ILE 206 206 25383 1 . HIS 207 207 25383 1 . LEU 208 208 25383 1 . LYS 209 209 25383 1 . SER 210 210 25383 1 . ASP 211 211 25383 1 . CYS 212 212 25383 1 . LYS 213 213 25383 1 . GLU 214 214 25383 1 . PHE 215 215 25383 1 . SER 216 216 25383 1 . SER 217 217 25383 1 . GLU 218 218 25383 1 . ALA 219 219 25383 1 . ARG 220 220 25383 1 . VAL 221 221 25383 1 . ARG 222 222 25383 1 . ASP 223 223 25383 1 . VAL 224 224 25383 1 . VAL 225 225 25383 1 . THR 226 226 25383 1 . LYS 227 227 25383 1 . TYR 228 228 25383 1 . SER 229 229 25383 1 . ASN 230 230 25383 1 . PHE 231 231 25383 1 . VAL 232 232 25383 1 . SER 233 233 25383 1 . PHE 234 234 25383 1 . PRO 235 235 25383 1 . LEU 236 236 25383 1 . TYR 237 237 25383 1 . LEU 238 238 25383 1 . ASN 239 239 25383 1 . GLY 240 240 25383 1 . ARG 241 241 25383 1 . ARG 242 242 25383 1 . MET 243 243 25383 1 . ASN 244 244 25383 1 . THR 245 245 25383 1 . LEU 246 246 25383 1 . GLN 247 247 25383 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 25383 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $human_TRAP1-NTD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25383 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 25383 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $human_TRAP1-NTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . HR3376E-15.1 . . . . . . 25383 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_sample _Sample.Entry_ID 25383 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'human TRAP1-NTD' '[U-100% 13C; U-100% 15N]' . . 1 $human_TRAP1-NTD . . 0.87 . . mM . . . . 25383 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25383 1 3 MgCl2 'natural abundance' . . . . . . 2 . . mM . . . . 25383 1 4 NaPi 'natural abundance' . . . . . . 20 . . mM . . . . 25383 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25383 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25383 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25383 1 stop_ save_ save_NCDILV _Sample.Sf_category sample _Sample.Sf_framecode NCDILV _Sample.Entry_ID 25383 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'human TRAP1-NTD' '[U-13C; U-15N; U-2H] ILV-Methylated' . . 1 $human_TRAP1-NTD . . 0.53 . . mM . . . . 25383 2 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25383 2 3 MgCl2 'natural abundance' . . . . . . 2 . . mM . . . . 25383 2 4 NaPi 'natural abundance' . . . . . . 20 . . mM . . . . 25383 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25383 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25383 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25383 2 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 25383 _Sample_condition_list.ID 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 temperature 293 . K 25383 1 pH 6.5 . pH 25383 1 pressure ambient . atm 25383 1 'ionic strength' 0.2 . M 25383 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25383 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25383 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25383 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25383 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25383 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25383 2 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 25383 _Software.ID 3 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 25383 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25383 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25383 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25383 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25383 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25383 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Varian INOVA . 600 . . . 25383 1 2 spectrometer_2 Bruker Avance . 600 . . . 25383 1 3 spectrometer_3 Bruker Avance . 850 . . . 25383 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25383 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $NCDILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25383 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $NCDILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25383 1 3 '3D HNCACB' no . . . . . . . . . . 2 $NCDILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25383 1 4 '3D HNCOCACB' no . . . . . . . . . . 2 $NCDILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25383 1 5 '3D HNCO' no . . . . . . . . . . 2 $NCDILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25383 1 6 '3D HN(CA)CO' no . . . . . . . . . . 2 $NCDILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25383 1 7 '3D HNCA' no . . . . . . . . . . 2 $NCDILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25383 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $NCDILV isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25383 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25383 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25383 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25383 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25383 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25383 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25383 _Assigned_chem_shift_list.ID 1 _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 $chemical_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-15N HSQC' . . . 25383 1 2 '2D 1H-13C HSQC' . . . 25383 1 3 '3D HNCACB' . . . 25383 1 4 '3D HNCOCACB' . . . 25383 1 5 '3D HNCO' . . . 25383 1 6 '3D HN(CA)CO' . . . 25383 1 7 '3D HNCA' . . . 25383 1 8 '3D HN(CO)CA' . . . 25383 1 9 '3D 1H-15N NOESY' . . . 25383 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 11 11 SER H H 1 8.41 0.02 . 1 . . . . 60 SER H . 25383 1 2 . 1 1 11 11 SER C C 13 174.8 0.2 . 1 . . . . 60 SER C . 25383 1 3 . 1 1 11 11 SER CA C 13 58 0.2 . 1 . . . . 60 SER CA . 25383 1 4 . 1 1 11 11 SER CB C 13 63.2 0.2 . 1 . . . . 60 SER CB . 25383 1 5 . 1 1 11 11 SER N N 15 117 0.2 . 1 . . . . 60 SER N . 25383 1 6 . 1 1 12 12 THR H H 1 8.19 0.02 . 1 . . . . 61 THR H . 25383 1 7 . 1 1 12 12 THR C C 13 174.5 0.2 . 1 . . . . 61 THR C . 25383 1 8 . 1 1 12 12 THR CA C 13 61.5 0.2 . 1 . . . . 61 THR CA . 25383 1 9 . 1 1 12 12 THR CB C 13 69.2 0.2 . 1 . . . . 61 THR CB . 25383 1 10 . 1 1 12 12 THR N N 15 115.4 0.2 . 1 . . . . 61 THR N . 25383 1 11 . 1 1 13 13 GLN H H 1 8.38 0.02 . 1 . . . . 62 GLN H . 25383 1 12 . 1 1 13 13 GLN C C 13 176 0.2 . 1 . . . . 62 GLN C . 25383 1 13 . 1 1 13 13 GLN CA C 13 55.5 0.2 . 1 . . . . 62 GLN CA . 25383 1 14 . 1 1 13 13 GLN CB C 13 28.7 0.2 . 1 . . . . 62 GLN CB . 25383 1 15 . 1 1 13 13 GLN N N 15 122.4 0.2 . 1 . . . . 62 GLN N . 25383 1 16 . 1 1 14 14 THR H H 1 8.28 0.02 . 1 . . . . 63 THR H . 25383 1 17 . 1 1 14 14 THR C C 13 174.4 0.2 . 1 . . . . 63 THR C . 25383 1 18 . 1 1 14 14 THR CA C 13 61.3 0.2 . 1 . . . . 63 THR CA . 25383 1 19 . 1 1 14 14 THR CB C 13 69.7 0.2 . 1 . . . . 63 THR CB . 25383 1 20 . 1 1 14 14 THR N N 15 115.7 0.2 . 1 . . . . 63 THR N . 25383 1 21 . 1 1 15 15 ALA H H 1 8.4 0.02 . 1 . . . . 64 ALA H . 25383 1 22 . 1 1 15 15 ALA C C 13 177.8 0.2 . 1 . . . . 64 ALA C . 25383 1 23 . 1 1 15 15 ALA CA C 13 52.3 0.2 . 1 . . . . 64 ALA CA . 25383 1 24 . 1 1 15 15 ALA CB C 13 18.3 0.2 . 1 . . . . 64 ALA CB . 25383 1 25 . 1 1 15 15 ALA N N 15 125.9 0.2 . 1 . . . . 64 ALA N . 25383 1 26 . 1 1 16 16 GLU H H 1 8.38 0.02 . 1 . . . . 65 GLU H . 25383 1 27 . 1 1 16 16 GLU C C 13 176.3 0.2 . 1 . . . . 65 GLU C . 25383 1 28 . 1 1 16 16 GLU CA C 13 56.3 0.2 . 1 . . . . 65 GLU CA . 25383 1 29 . 1 1 16 16 GLU CB C 13 29.3 0.2 . 1 . . . . 65 GLU CB . 25383 1 30 . 1 1 16 16 GLU N N 15 119.7 0.2 . 1 . . . . 65 GLU N . 25383 1 31 . 1 1 17 17 ASP H H 1 8.31 0.02 . 1 . . . . 66 ASP H . 25383 1 32 . 1 1 17 17 ASP C C 13 176.1 0.2 . 1 . . . . 66 ASP C . 25383 1 33 . 1 1 17 17 ASP CA C 13 54.1 0.2 . 1 . . . . 66 ASP CA . 25383 1 34 . 1 1 17 17 ASP CB C 13 40.4 0.2 . 1 . . . . 66 ASP CB . 25383 1 35 . 1 1 17 17 ASP N N 15 121.2 0.2 . 1 . . . . 66 ASP N . 25383 1 36 . 1 1 18 18 LYS H H 1 8.18 0.02 . 1 . . . . 67 LYS H . 25383 1 37 . 1 1 18 18 LYS C C 13 176.3 0.2 . 1 . . . . 67 LYS C . 25383 1 38 . 1 1 18 18 LYS CA C 13 55.6 0.2 . 1 . . . . 67 LYS CA . 25383 1 39 . 1 1 18 18 LYS CB C 13 32.1 0.2 . 1 . . . . 67 LYS CB . 25383 1 40 . 1 1 18 18 LYS N N 15 121.1 0.2 . 1 . . . . 67 LYS N . 25383 1 41 . 1 1 19 19 GLU H H 1 8.33 0.02 . 1 . . . . 68 GLU H . 25383 1 42 . 1 1 19 19 GLU C C 13 176.2 0.2 . 1 . . . . 68 GLU C . 25383 1 43 . 1 1 19 19 GLU CA C 13 55.2 0.2 . 1 . . . . 68 GLU CA . 25383 1 44 . 1 1 19 19 GLU CB C 13 29.5 0.2 . 1 . . . . 68 GLU CB . 25383 1 45 . 1 1 19 19 GLU N N 15 121.8 0.2 . 1 . . . . 68 GLU N . 25383 1 46 . 1 1 20 20 GLU H H 1 7.37 0.02 . 1 . . . . 69 GLU H . 25383 1 47 . 1 1 20 20 GLU C C 13 173.7 0.2 . 1 . . . . 69 GLU C . 25383 1 48 . 1 1 20 20 GLU CA C 13 55.6 0.2 . 1 . . . . 69 GLU CA . 25383 1 49 . 1 1 20 20 GLU CB C 13 29.7 0.2 . 1 . . . . 69 GLU CB . 25383 1 50 . 1 1 20 20 GLU N N 15 113 0.2 . 1 . . . . 69 GLU N . 25383 1 51 . 1 1 21 21 PRO C C 13 176.9 0.2 . 1 . . . . 70 PRO C . 25383 1 52 . 1 1 21 21 PRO CA C 13 62.4 0.2 . 1 . . . . 70 PRO CA . 25383 1 53 . 1 1 21 21 PRO CB C 13 30.9 0.2 . 1 . . . . 70 PRO CB . 25383 1 54 . 1 1 22 22 LEU H H 1 8.43 0.02 . 1 . . . . 71 LEU H . 25383 1 55 . 1 1 22 22 LEU C C 13 177.4 0.2 . 1 . . . . 71 LEU C . 25383 1 56 . 1 1 22 22 LEU CA C 13 54.9 0.2 . 1 . . . . 71 LEU CA . 25383 1 57 . 1 1 22 22 LEU CB C 13 42 0.2 . 1 . . . . 71 LEU CB . 25383 1 58 . 1 1 22 22 LEU N N 15 122.4 0.2 . 1 . . . . 71 LEU N . 25383 1 59 . 1 1 23 23 HIS H H 1 9.28 0.02 . 1 . . . . 72 HIS H . 25383 1 60 . 1 1 23 23 HIS C C 13 171.2 0.2 . 1 . . . . 72 HIS C . 25383 1 61 . 1 1 23 23 HIS CA C 13 54.1 0.2 . 1 . . . . 72 HIS CA . 25383 1 62 . 1 1 23 23 HIS CB C 13 28.9 0.2 . 1 . . . . 72 HIS CB . 25383 1 63 . 1 1 23 23 HIS N N 15 123.1 0.2 . 1 . . . . 72 HIS N . 25383 1 64 . 1 1 24 24 SER H H 1 8.22 0.02 . 1 . . . . 73 SER H . 25383 1 65 . 1 1 24 24 SER C C 13 174.4 0.2 . 1 . . . . 73 SER C . 25383 1 66 . 1 1 24 24 SER CA C 13 55.7 0.2 . 1 . . . . 73 SER CA . 25383 1 67 . 1 1 24 24 SER CB C 13 63.9 0.2 . 1 . . . . 73 SER CB . 25383 1 68 . 1 1 24 24 SER N N 15 117.3 0.2 . 1 . . . . 73 SER N . 25383 1 69 . 1 1 27 27 SER H H 1 9.09 0.02 . 1 . . . . 76 SER H . 25383 1 70 . 1 1 27 27 SER C C 13 173.4 0.2 . 1 . . . . 76 SER C . 25383 1 71 . 1 1 27 27 SER CA C 13 57.1 0.2 . 1 . . . . 76 SER CA . 25383 1 72 . 1 1 27 27 SER CB C 13 64.3 0.2 . 1 . . . . 76 SER CB . 25383 1 73 . 1 1 27 27 SER N N 15 124.1 0.2 . 1 . . . . 76 SER N . 25383 1 74 . 1 1 28 28 SER H H 1 8.48 0.02 . 1 . . . . 77 SER H . 25383 1 75 . 1 1 28 28 SER C C 13 174.9 0.2 . 1 . . . . 77 SER C . 25383 1 76 . 1 1 28 28 SER CA C 13 56.5 0.2 . 1 . . . . 77 SER CA . 25383 1 77 . 1 1 28 28 SER CB C 13 61.2 0.2 . 1 . . . . 77 SER CB . 25383 1 78 . 1 1 28 28 SER N N 15 117.8 0.2 . 1 . . . . 77 SER N . 25383 1 79 . 1 1 29 29 THR H H 1 7.59 0.02 . 1 . . . . 78 THR H . 25383 1 80 . 1 1 29 29 THR C C 13 175.3 0.2 . 1 . . . . 78 THR C . 25383 1 81 . 1 1 29 29 THR CA C 13 61.2 0.2 . 1 . . . . 78 THR CA . 25383 1 82 . 1 1 29 29 THR CB C 13 69.2 0.2 . 1 . . . . 78 THR CB . 25383 1 83 . 1 1 29 29 THR N N 15 115.2 0.2 . 1 . . . . 78 THR N . 25383 1 84 . 1 1 30 30 GLU H H 1 8.9 0.02 . 1 . . . . 79 GLU H . 25383 1 85 . 1 1 30 30 GLU C C 13 177.3 0.2 . 1 . . . . 79 GLU C . 25383 1 86 . 1 1 30 30 GLU CA C 13 56.8 0.2 . 1 . . . . 79 GLU CA . 25383 1 87 . 1 1 30 30 GLU CB C 13 28 0.2 . 1 . . . . 79 GLU CB . 25383 1 88 . 1 1 30 30 GLU N N 15 123.6 0.2 . 1 . . . . 79 GLU N . 25383 1 89 . 1 1 31 31 SER H H 1 8.17 0.02 . 1 . . . . 80 SER H . 25383 1 90 . 1 1 31 31 SER C C 13 173.2 0.2 . 1 . . . . 80 SER C . 25383 1 91 . 1 1 31 31 SER CA C 13 56.9 0.2 . 1 . . . . 80 SER CA . 25383 1 92 . 1 1 31 31 SER CB C 13 64.6 0.2 . 1 . . . . 80 SER CB . 25383 1 93 . 1 1 31 31 SER N N 15 114.8 0.2 . 1 . . . . 80 SER N . 25383 1 94 . 1 1 32 32 VAL H H 1 8.74 0.02 . 1 . . . . 81 VAL H . 25383 1 95 . 1 1 32 32 VAL C C 13 175.9 0.2 . 1 . . . . 81 VAL C . 25383 1 96 . 1 1 32 32 VAL CA C 13 63.2 0.2 . 1 . . . . 81 VAL CA . 25383 1 97 . 1 1 32 32 VAL CB C 13 32.3 0.2 . 1 . . . . 81 VAL CB . 25383 1 98 . 1 1 32 32 VAL N N 15 125.7 0.2 . 1 . . . . 81 VAL N . 25383 1 99 . 1 1 33 33 GLN H H 1 8.8 0.02 . 1 . . . . 82 GLN H . 25383 1 100 . 1 1 33 33 GLN C C 13 175.5 0.2 . 1 . . . . 82 GLN C . 25383 1 101 . 1 1 33 33 GLN CA C 13 54.5 0.2 . 1 . . . . 82 GLN CA . 25383 1 102 . 1 1 33 33 GLN CB C 13 29.7 0.2 . 1 . . . . 82 GLN CB . 25383 1 103 . 1 1 33 33 GLN N N 15 126.2 0.2 . 1 . . . . 82 GLN N . 25383 1 104 . 1 1 34 34 GLY H H 1 8.17 0.02 . 1 . . . . 83 GLY H . 25383 1 105 . 1 1 34 34 GLY C C 13 173.1 0.2 . 1 . . . . 83 GLY C . 25383 1 106 . 1 1 34 34 GLY CA C 13 44.3 0.2 . 1 . . . . 83 GLY CA . 25383 1 107 . 1 1 34 34 GLY N N 15 109.4 0.2 . 1 . . . . 83 GLY N . 25383 1 108 . 1 1 35 35 SER H H 1 8.4 0.02 . 1 . . . . 84 SER H . 25383 1 109 . 1 1 35 35 SER C C 13 174.9 0.2 . 1 . . . . 84 SER C . 25383 1 110 . 1 1 35 35 SER CA C 13 57.7 0.2 . 1 . . . . 84 SER CA . 25383 1 111 . 1 1 35 35 SER CB C 13 63.8 0.2 . 1 . . . . 84 SER CB . 25383 1 112 . 1 1 35 35 SER N N 15 114.9 0.2 . 1 . . . . 84 SER N . 25383 1 113 . 1 1 36 36 THR H H 1 8.55 0.02 . 1 . . . . 85 THR H . 25383 1 114 . 1 1 36 36 THR C C 13 175 0.2 . 1 . . . . 85 THR C . 25383 1 115 . 1 1 36 36 THR CA C 13 61.1 0.2 . 1 . . . . 85 THR CA . 25383 1 116 . 1 1 36 36 THR CB C 13 70 0.2 . 1 . . . . 85 THR CB . 25383 1 117 . 1 1 36 36 THR N N 15 116.5 0.2 . 1 . . . . 85 THR N . 25383 1 118 . 1 1 37 37 SER H H 1 9.05 0.02 . 1 . . . . 86 SER H . 25383 1 119 . 1 1 37 37 SER C C 13 172.9 0.2 . 1 . . . . 86 SER C . 25383 1 120 . 1 1 37 37 SER CA C 13 56.9 0.2 . 1 . . . . 86 SER CA . 25383 1 121 . 1 1 37 37 SER CB C 13 64.3 0.2 . 1 . . . . 86 SER CB . 25383 1 122 . 1 1 37 37 SER N N 15 118.3 0.2 . 1 . . . . 86 SER N . 25383 1 123 . 1 1 38 38 LYS H H 1 8.39 0.02 . 1 . . . . 87 LYS H . 25383 1 124 . 1 1 38 38 LYS C C 13 175.5 0.2 . 1 . . . . 87 LYS C . 25383 1 125 . 1 1 38 38 LYS CA C 13 55.3 0.2 . 1 . . . . 87 LYS CA . 25383 1 126 . 1 1 38 38 LYS CB C 13 32.8 0.2 . 1 . . . . 87 LYS CB . 25383 1 127 . 1 1 38 38 LYS N N 15 124.1 0.2 . 1 . . . . 87 LYS N . 25383 1 128 . 1 1 39 39 HIS H H 1 8.53 0.02 . 1 . . . . 88 HIS H . 25383 1 129 . 1 1 39 39 HIS C C 13 172.7 0.2 . 1 . . . . 88 HIS C . 25383 1 130 . 1 1 39 39 HIS CA C 13 53.5 0.2 . 1 . . . . 88 HIS CA . 25383 1 131 . 1 1 39 39 HIS CB C 13 32.4 0.2 . 1 . . . . 88 HIS CB . 25383 1 132 . 1 1 39 39 HIS N N 15 121.7 0.2 . 1 . . . . 88 HIS N . 25383 1 133 . 1 1 40 40 GLU H H 1 8.51 0.02 . 1 . . . . 89 GLU H . 25383 1 134 . 1 1 40 40 GLU C C 13 178.1 0.2 . 1 . . . . 89 GLU C . 25383 1 135 . 1 1 40 40 GLU CA C 13 54.9 0.2 . 1 . . . . 89 GLU CA . 25383 1 136 . 1 1 40 40 GLU CB C 13 29.9 0.2 . 1 . . . . 89 GLU CB . 25383 1 137 . 1 1 40 40 GLU N N 15 120 0.2 . 1 . . . . 89 GLU N . 25383 1 138 . 1 1 41 41 PHE H H 1 8.22 0.02 . 1 . . . . 90 PHE H . 25383 1 139 . 1 1 41 41 PHE C C 13 179 0.2 . 1 . . . . 90 PHE C . 25383 1 140 . 1 1 41 41 PHE CA C 13 57.6 0.2 . 1 . . . . 90 PHE CA . 25383 1 141 . 1 1 41 41 PHE CB C 13 40.2 0.2 . 1 . . . . 90 PHE CB . 25383 1 142 . 1 1 41 41 PHE N N 15 119 0.2 . 1 . . . . 90 PHE N . 25383 1 143 . 1 1 42 42 GLN H H 1 7.79 0.02 . 1 . . . . 91 GLN H . 25383 1 144 . 1 1 42 42 GLN C C 13 176.3 0.2 . 1 . . . . 91 GLN C . 25383 1 145 . 1 1 42 42 GLN CA C 13 59.5 0.2 . 1 . . . . 91 GLN CA . 25383 1 146 . 1 1 42 42 GLN N N 15 119.1 0.2 . 1 . . . . 91 GLN N . 25383 1 147 . 1 1 63 63 PHE H H 1 7.99 0.02 . 1 . . . . 112 PHE H . 25383 1 148 . 1 1 63 63 PHE C C 13 176 0.2 . 1 . . . . 112 PHE C . 25383 1 149 . 1 1 63 63 PHE CA C 13 59.3 0.2 . 1 . . . . 112 PHE CA . 25383 1 150 . 1 1 63 63 PHE CB C 13 36.3 0.2 . 1 . . . . 112 PHE CB . 25383 1 151 . 1 1 63 63 PHE N N 15 122.2 0.2 . 1 . . . . 112 PHE N . 25383 1 152 . 1 1 64 64 ILE H H 1 6.45 0.02 . 1 . . . . 113 ILE H . 25383 1 153 . 1 1 64 64 ILE C C 13 176.6 0.2 . 1 . . . . 113 ILE C . 25383 1 154 . 1 1 64 64 ILE CA C 13 64.6 0.2 . 1 . . . . 113 ILE CA . 25383 1 155 . 1 1 64 64 ILE CB C 13 35.7 0.2 . 1 . . . . 113 ILE CB . 25383 1 156 . 1 1 64 64 ILE N N 15 120.5 0.2 . 1 . . . . 113 ILE N . 25383 1 157 . 1 1 65 65 ARG H H 1 6.25 0.02 . 1 . . . . 114 ARG H . 25383 1 158 . 1 1 65 65 ARG C C 13 178.3 0.2 . 1 . . . . 114 ARG C . 25383 1 159 . 1 1 65 65 ARG CA C 13 59.2 0.2 . 1 . . . . 114 ARG CA . 25383 1 160 . 1 1 65 65 ARG CB C 13 28.1 0.2 . 1 . . . . 114 ARG CB . 25383 1 161 . 1 1 65 65 ARG N N 15 119.4 0.2 . 1 . . . . 114 ARG N . 25383 1 162 . 1 1 66 66 GLU H H 1 7.9 0.02 . 1 . . . . 115 GLU H . 25383 1 163 . 1 1 66 66 GLU C C 13 179.3 0.2 . 1 . . . . 115 GLU C . 25383 1 164 . 1 1 66 66 GLU CA C 13 57.9 0.2 . 1 . . . . 115 GLU CA . 25383 1 165 . 1 1 66 66 GLU CB C 13 28.4 0.2 . 1 . . . . 115 GLU CB . 25383 1 166 . 1 1 66 66 GLU N N 15 116.1 0.2 . 1 . . . . 115 GLU N . 25383 1 167 . 1 1 67 67 LEU H H 1 8.22 0.02 . 1 . . . . 116 LEU H . 25383 1 168 . 1 1 67 67 LEU C C 13 181.1 0.2 . 1 . . . . 116 LEU C . 25383 1 169 . 1 1 67 67 LEU N N 15 118.3 0.2 . 1 . . . . 116 LEU N . 25383 1 170 . 1 1 69 69 SER H H 1 7.93 0.02 . 1 . . . . 118 SER H . 25383 1 171 . 1 1 69 69 SER C C 13 176.8 0.2 . 1 . . . . 118 SER C . 25383 1 172 . 1 1 69 69 SER CA C 13 61.7 0.2 . 1 . . . . 118 SER CA . 25383 1 173 . 1 1 69 69 SER N N 15 119.9 0.2 . 1 . . . . 118 SER N . 25383 1 174 . 1 1 70 70 ASN H H 1 8.11 0.02 . 1 . . . . 119 ASN H . 25383 1 175 . 1 1 70 70 ASN C C 13 177.5 0.2 . 1 . . . . 119 ASN C . 25383 1 176 . 1 1 70 70 ASN CA C 13 55.9 0.2 . 1 . . . . 119 ASN CA . 25383 1 177 . 1 1 70 70 ASN CB C 13 38.2 0.2 . 1 . . . . 119 ASN CB . 25383 1 178 . 1 1 70 70 ASN N N 15 119.6 0.2 . 1 . . . . 119 ASN N . 25383 1 179 . 1 1 71 71 ALA H H 1 7.87 0.02 . 1 . . . . 120 ALA H . 25383 1 180 . 1 1 71 71 ALA C C 13 178.4 0.2 . 1 . . . . 120 ALA C . 25383 1 181 . 1 1 71 71 ALA CA C 13 54.1 0.2 . 1 . . . . 120 ALA CA . 25383 1 182 . 1 1 71 71 ALA CB C 13 18.4 0.2 . 1 . . . . 120 ALA CB . 25383 1 183 . 1 1 71 71 ALA N N 15 123.4 0.2 . 1 . . . . 120 ALA N . 25383 1 184 . 1 1 72 72 SER H H 1 8.42 0.02 . 1 . . . . 121 SER H . 25383 1 185 . 1 1 72 72 SER C C 13 178.3 0.2 . 1 . . . . 121 SER C . 25383 1 186 . 1 1 72 72 SER CA C 13 61.6 0.2 . 1 . . . . 121 SER CA . 25383 1 187 . 1 1 72 72 SER CB C 13 63 0.2 . 1 . . . . 121 SER CB . 25383 1 188 . 1 1 72 72 SER N N 15 112.6 0.2 . 1 . . . . 121 SER N . 25383 1 189 . 1 1 73 73 ASP H H 1 8.31 0.02 . 1 . . . . 122 ASP H . 25383 1 190 . 1 1 73 73 ASP C C 13 178.2 0.2 . 1 . . . . 122 ASP C . 25383 1 191 . 1 1 73 73 ASP CA C 13 57.3 0.2 . 1 . . . . 122 ASP CA . 25383 1 192 . 1 1 73 73 ASP CB C 13 40.3 0.2 . 1 . . . . 122 ASP CB . 25383 1 193 . 1 1 73 73 ASP N N 15 120 0.2 . 1 . . . . 122 ASP N . 25383 1 194 . 1 1 74 74 ALA H H 1 7.8 0.02 . 1 . . . . 123 ALA H . 25383 1 195 . 1 1 74 74 ALA C C 13 182 0.2 . 1 . . . . 123 ALA C . 25383 1 196 . 1 1 74 74 ALA CA C 13 54.9 0.2 . 1 . . . . 123 ALA CA . 25383 1 197 . 1 1 74 74 ALA CB C 13 18.5 0.2 . 1 . . . . 123 ALA CB . 25383 1 198 . 1 1 74 74 ALA N N 15 122.2 0.2 . 1 . . . . 123 ALA N . 25383 1 199 . 1 1 75 75 LEU H H 1 7.91 0.02 . 1 . . . . 124 LEU H . 25383 1 200 . 1 1 75 75 LEU C C 13 177.8 0.2 . 1 . . . . 124 LEU C . 25383 1 201 . 1 1 75 75 LEU CA C 13 57.3 0.2 . 1 . . . . 124 LEU CA . 25383 1 202 . 1 1 75 75 LEU CB C 13 39.8 0.2 . 1 . . . . 124 LEU CB . 25383 1 203 . 1 1 75 75 LEU N N 15 121.9 0.2 . 1 . . . . 124 LEU N . 25383 1 204 . 1 1 76 76 GLU H H 1 8.7 0.02 . 1 . . . . 125 GLU H . 25383 1 205 . 1 1 76 76 GLU C C 13 179.6 0.2 . 1 . . . . 125 GLU C . 25383 1 206 . 1 1 76 76 GLU CA C 13 58.7 0.2 . 1 . . . . 125 GLU CA . 25383 1 207 . 1 1 76 76 GLU CB C 13 28.2 0.2 . 1 . . . . 125 GLU CB . 25383 1 208 . 1 1 76 76 GLU N N 15 121.8 0.2 . 1 . . . . 125 GLU N . 25383 1 209 . 1 1 77 77 LYS H H 1 8.34 0.02 . 1 . . . . 126 LYS H . 25383 1 210 . 1 1 77 77 LYS C C 13 180.3 0.2 . 1 . . . . 126 LYS C . 25383 1 211 . 1 1 77 77 LYS CA C 13 59.4 0.2 . 1 . . . . 126 LYS CA . 25383 1 212 . 1 1 77 77 LYS CB C 13 32.1 0.2 . 1 . . . . 126 LYS CB . 25383 1 213 . 1 1 77 77 LYS N N 15 118.3 0.2 . 1 . . . . 126 LYS N . 25383 1 214 . 1 1 78 78 LEU H H 1 7.47 0.02 . 1 . . . . 127 LEU H . 25383 1 215 . 1 1 78 78 LEU C C 13 177 0.2 . 1 . . . . 127 LEU C . 25383 1 216 . 1 1 78 78 LEU CA C 13 57.5 0.2 . 1 . . . . 127 LEU CA . 25383 1 217 . 1 1 78 78 LEU CB C 13 40.6 0.2 . 1 . . . . 127 LEU CB . 25383 1 218 . 1 1 78 78 LEU N N 15 120.5 0.2 . 1 . . . . 127 LEU N . 25383 1 219 . 1 1 79 79 ARG H H 1 8.89 0.02 . 1 . . . . 128 ARG H . 25383 1 220 . 1 1 79 79 ARG C C 13 177.5 0.2 . 1 . . . . 128 ARG C . 25383 1 221 . 1 1 79 79 ARG CA C 13 59.9 0.2 . 1 . . . . 128 ARG CA . 25383 1 222 . 1 1 79 79 ARG CB C 13 29.2 0.2 . 1 . . . . 128 ARG CB . 25383 1 223 . 1 1 79 79 ARG N N 15 119.7 0.2 . 1 . . . . 128 ARG N . 25383 1 224 . 1 1 80 80 HIS H H 1 8.59 0.02 . 1 . . . . 129 HIS H . 25383 1 225 . 1 1 80 80 HIS C C 13 177.9 0.2 . 1 . . . . 129 HIS C . 25383 1 226 . 1 1 80 80 HIS CA C 13 59.1 0.2 . 1 . . . . 129 HIS CA . 25383 1 227 . 1 1 80 80 HIS CB C 13 28.9 0.2 . 1 . . . . 129 HIS CB . 25383 1 228 . 1 1 80 80 HIS N N 15 114.8 0.2 . 1 . . . . 129 HIS N . 25383 1 229 . 1 1 81 81 LYS H H 1 7.73 0.02 . 1 . . . . 130 LYS H . 25383 1 230 . 1 1 81 81 LYS C C 13 178.1 0.2 . 1 . . . . 130 LYS C . 25383 1 231 . 1 1 81 81 LYS CA C 13 58.6 0.2 . 1 . . . . 130 LYS CA . 25383 1 232 . 1 1 81 81 LYS CB C 13 31.5 0.2 . 1 . . . . 130 LYS CB . 25383 1 233 . 1 1 81 81 LYS N N 15 120.6 0.2 . 1 . . . . 130 LYS N . 25383 1 234 . 1 1 82 82 LEU H H 1 8.42 0.02 . 1 . . . . 131 LEU H . 25383 1 235 . 1 1 82 82 LEU C C 13 179.8 0.2 . 1 . . . . 131 LEU C . 25383 1 236 . 1 1 82 82 LEU CA C 13 57.6 0.2 . 1 . . . . 131 LEU CA . 25383 1 237 . 1 1 82 82 LEU CB C 13 40.1 0.2 . 1 . . . . 131 LEU CB . 25383 1 238 . 1 1 82 82 LEU N N 15 118.5 0.2 . 1 . . . . 131 LEU N . 25383 1 239 . 1 1 83 83 VAL H H 1 8.7 0.02 . 1 . . . . 132 VAL H . 25383 1 240 . 1 1 83 83 VAL C C 13 180.8 0.2 . 1 . . . . 132 VAL C . 25383 1 241 . 1 1 83 83 VAL CA C 13 65.5 0.2 . 1 . . . . 132 VAL CA . 25383 1 242 . 1 1 83 83 VAL CB C 13 31 0.2 . 1 . . . . 132 VAL CB . 25383 1 243 . 1 1 83 83 VAL N N 15 118.7 0.2 . 1 . . . . 132 VAL N . 25383 1 244 . 1 1 84 84 SER H H 1 7.92 0.02 . 1 . . . . 133 SER H . 25383 1 245 . 1 1 84 84 SER C C 13 175.1 0.2 . 1 . . . . 133 SER C . 25383 1 246 . 1 1 84 84 SER CA C 13 61.2 0.2 . 1 . . . . 133 SER CA . 25383 1 247 . 1 1 84 84 SER CB C 13 62.2 0.2 . 1 . . . . 133 SER CB . 25383 1 248 . 1 1 84 84 SER N N 15 117.2 0.2 . 1 . . . . 133 SER N . 25383 1 249 . 1 1 85 85 ASP H H 1 7.77 0.02 . 1 . . . . 134 ASP H . 25383 1 250 . 1 1 85 85 ASP C C 13 176.6 0.2 . 1 . . . . 134 ASP C . 25383 1 251 . 1 1 85 85 ASP CA C 13 54 0.2 . 1 . . . . 134 ASP CA . 25383 1 252 . 1 1 85 85 ASP CB C 13 40.9 0.2 . 1 . . . . 134 ASP CB . 25383 1 253 . 1 1 85 85 ASP N N 15 119.5 0.2 . 1 . . . . 134 ASP N . 25383 1 254 . 1 1 86 86 GLY H H 1 7.97 0.02 . 1 . . . . 135 GLY H . 25383 1 255 . 1 1 86 86 GLY C C 13 174.8 0.2 . 1 . . . . 135 GLY C . 25383 1 256 . 1 1 86 86 GLY CA C 13 46 0.2 . 1 . . . . 135 GLY CA . 25383 1 257 . 1 1 86 86 GLY N N 15 109.8 0.2 . 1 . . . . 135 GLY N . 25383 1 258 . 1 1 87 87 GLN H H 1 8.17 0.02 . 1 . . . . 136 GLN H . 25383 1 259 . 1 1 87 87 GLN C C 13 174.8 0.2 . 1 . . . . 136 GLN C . 25383 1 260 . 1 1 87 87 GLN CA C 13 53.9 0.2 . 1 . . . . 136 GLN CA . 25383 1 261 . 1 1 87 87 GLN CB C 13 30.2 0.2 . 1 . . . . 136 GLN CB . 25383 1 262 . 1 1 87 87 GLN N N 15 118.8 0.2 . 1 . . . . 136 GLN N . 25383 1 263 . 1 1 88 88 ALA H H 1 8.18 0.02 . 1 . . . . 137 ALA H . 25383 1 264 . 1 1 88 88 ALA C C 13 177.1 0.2 . 1 . . . . 137 ALA C . 25383 1 265 . 1 1 88 88 ALA CA C 13 51.4 0.2 . 1 . . . . 137 ALA CA . 25383 1 266 . 1 1 88 88 ALA CB C 13 18.3 0.2 . 1 . . . . 137 ALA CB . 25383 1 267 . 1 1 88 88 ALA N N 15 122.7 0.2 . 1 . . . . 137 ALA N . 25383 1 268 . 1 1 89 89 LEU H H 1 8.33 0.02 . 1 . . . . 138 LEU H . 25383 1 269 . 1 1 89 89 LEU C C 13 176.1 0.2 . 1 . . . . 138 LEU C . 25383 1 270 . 1 1 89 89 LEU CA C 13 52.1 0.2 . 1 . . . . 138 LEU CA . 25383 1 271 . 1 1 89 89 LEU CB C 13 40.2 0.2 . 1 . . . . 138 LEU CB . 25383 1 272 . 1 1 89 89 LEU N N 15 119.8 0.2 . 1 . . . . 138 LEU N . 25383 1 273 . 1 1 90 90 PRO C C 13 174.8 0.2 . 1 . . . . 139 PRO C . 25383 1 274 . 1 1 90 90 PRO CA C 13 61.4 0.2 . 1 . . . . 139 PRO CA . 25383 1 275 . 1 1 90 90 PRO CB C 13 31.5 0.2 . 1 . . . . 139 PRO CB . 25383 1 276 . 1 1 91 91 GLU H H 1 8.45 0.02 . 1 . . . . 140 GLU H . 25383 1 277 . 1 1 91 91 GLU C C 13 177.3 0.2 . 1 . . . . 140 GLU C . 25383 1 278 . 1 1 91 91 GLU CA C 13 57.5 0.2 . 1 . . . . 140 GLU CA . 25383 1 279 . 1 1 91 91 GLU CB C 13 28.4 0.2 . 1 . . . . 140 GLU CB . 25383 1 280 . 1 1 91 91 GLU N N 15 117.6 0.2 . 1 . . . . 140 GLU N . 25383 1 281 . 1 1 92 92 MET H H 1 8.63 0.02 . 1 . . . . 141 MET H . 25383 1 282 . 1 1 92 92 MET C C 13 173.3 0.2 . 1 . . . . 141 MET C . 25383 1 283 . 1 1 92 92 MET CA C 13 54.8 0.2 . 1 . . . . 141 MET CA . 25383 1 284 . 1 1 92 92 MET CB C 13 33.2 0.2 . 1 . . . . 141 MET CB . 25383 1 285 . 1 1 92 92 MET N N 15 127.8 0.2 . 1 . . . . 141 MET N . 25383 1 286 . 1 1 93 93 GLU H H 1 7.87 0.02 . 1 . . . . 142 GLU H . 25383 1 287 . 1 1 93 93 GLU C C 13 173.8 0.2 . 1 . . . . 142 GLU C . 25383 1 288 . 1 1 93 93 GLU CA C 13 54.1 0.2 . 1 . . . . 142 GLU CA . 25383 1 289 . 1 1 93 93 GLU CB C 13 34.9 0.2 . 1 . . . . 142 GLU CB . 25383 1 290 . 1 1 93 93 GLU N N 15 117.7 0.2 . 1 . . . . 142 GLU N . 25383 1 291 . 1 1 97 97 GLN H H 1 9.2 0.02 . 1 . . . . 146 GLN H . 25383 1 292 . 1 1 97 97 GLN C C 13 176.2 0.2 . 1 . . . . 146 GLN C . 25383 1 293 . 1 1 97 97 GLN CA C 13 53.7 0.2 . 1 . . . . 146 GLN CA . 25383 1 294 . 1 1 97 97 GLN CB C 13 33.6 0.2 . 1 . . . . 146 GLN CB . 25383 1 295 . 1 1 97 97 GLN N N 15 121.7 0.2 . 1 . . . . 146 GLN N . 25383 1 296 . 1 1 98 98 THR H H 1 9.83 0.02 . 1 . . . . 147 THR H . 25383 1 297 . 1 1 98 98 THR C C 13 173.9 0.2 . 1 . . . . 147 THR C . 25383 1 298 . 1 1 98 98 THR CA C 13 60 0.2 . 1 . . . . 147 THR CA . 25383 1 299 . 1 1 98 98 THR CB C 13 69.5 0.2 . 1 . . . . 147 THR CB . 25383 1 300 . 1 1 98 98 THR N N 15 121.3 0.2 . 1 . . . . 147 THR N . 25383 1 301 . 1 1 99 99 ASN H H 1 8.31 0.02 . 1 . . . . 148 ASN H . 25383 1 302 . 1 1 99 99 ASN C C 13 175.1 0.2 . 1 . . . . 148 ASN C . 25383 1 303 . 1 1 99 99 ASN CA C 13 53 0.2 . 1 . . . . 148 ASN CA . 25383 1 304 . 1 1 99 99 ASN CB C 13 38.8 0.2 . 1 . . . . 148 ASN CB . 25383 1 305 . 1 1 99 99 ASN N N 15 118.4 0.2 . 1 . . . . 148 ASN N . 25383 1 306 . 1 1 100 100 ALA H H 1 8.99 0.02 . 1 . . . . 149 ALA H . 25383 1 307 . 1 1 100 100 ALA C C 13 179.5 0.2 . 1 . . . . 149 ALA C . 25383 1 308 . 1 1 100 100 ALA CA C 13 54 0.2 . 1 . . . . 149 ALA CA . 25383 1 309 . 1 1 100 100 ALA CB C 13 17.8 0.2 . 1 . . . . 149 ALA CB . 25383 1 310 . 1 1 100 100 ALA N N 15 129.7 0.2 . 1 . . . . 149 ALA N . 25383 1 311 . 1 1 101 101 GLU H H 1 8.38 0.02 . 1 . . . . 150 GLU H . 25383 1 312 . 1 1 101 101 GLU C C 13 178.8 0.2 . 1 . . . . 150 GLU C . 25383 1 313 . 1 1 101 101 GLU CA C 13 59 0.2 . 1 . . . . 150 GLU CA . 25383 1 314 . 1 1 101 101 GLU CB C 13 28.4 0.2 . 1 . . . . 150 GLU CB . 25383 1 315 . 1 1 101 101 GLU N N 15 119.3 0.2 . 1 . . . . 150 GLU N . 25383 1 316 . 1 1 102 102 LYS H H 1 7.85 0.02 . 1 . . . . 151 LYS H . 25383 1 317 . 1 1 102 102 LYS C C 13 177.2 0.2 . 1 . . . . 151 LYS C . 25383 1 318 . 1 1 102 102 LYS CA C 13 54.9 0.2 . 1 . . . . 151 LYS CA . 25383 1 319 . 1 1 102 102 LYS CB C 13 32.3 0.2 . 1 . . . . 151 LYS CB . 25383 1 320 . 1 1 102 102 LYS N N 15 115.1 0.2 . 1 . . . . 151 LYS N . 25383 1 321 . 1 1 103 103 GLY H H 1 8.03 0.02 . 1 . . . . 152 GLY H . 25383 1 322 . 1 1 103 103 GLY C C 13 174.4 0.2 . 1 . . . . 152 GLY C . 25383 1 323 . 1 1 103 103 GLY CA C 13 46.6 0.2 . 1 . . . . 152 GLY CA . 25383 1 324 . 1 1 103 103 GLY N N 15 109.7 0.2 . 1 . . . . 152 GLY N . 25383 1 325 . 1 1 104 104 THR H H 1 8.17 0.02 . 1 . . . . 153 THR H . 25383 1 326 . 1 1 104 104 THR C C 13 173.4 0.2 . 1 . . . . 153 THR C . 25383 1 327 . 1 1 104 104 THR CA C 13 58.2 0.2 . 1 . . . . 153 THR CA . 25383 1 328 . 1 1 104 104 THR CB C 13 72.6 0.2 . 1 . . . . 153 THR CB . 25383 1 329 . 1 1 104 104 THR N N 15 107 0.2 . 1 . . . . 153 THR N . 25383 1 330 . 1 1 105 105 ILE H H 1 8.2 0.02 . 1 . . . . 154 ILE H . 25383 1 331 . 1 1 105 105 ILE C C 13 172.1 0.2 . 1 . . . . 154 ILE C . 25383 1 332 . 1 1 105 105 ILE CA C 13 59.5 0.2 . 1 . . . . 154 ILE CA . 25383 1 333 . 1 1 105 105 ILE CB C 13 39.1 0.2 . 1 . . . . 154 ILE CB . 25383 1 334 . 1 1 105 105 ILE N N 15 117.5 0.2 . 1 . . . . 154 ILE N . 25383 1 335 . 1 1 106 106 THR H H 1 8.77 0.02 . 1 . . . . 155 THR H . 25383 1 336 . 1 1 106 106 THR C C 13 173.2 0.2 . 1 . . . . 155 THR C . 25383 1 337 . 1 1 106 106 THR CA C 13 60.3 0.2 . 1 . . . . 155 THR CA . 25383 1 338 . 1 1 106 106 THR CB C 13 71 0.2 . 1 . . . . 155 THR CB . 25383 1 339 . 1 1 106 106 THR N N 15 123.7 0.2 . 1 . . . . 155 THR N . 25383 1 340 . 1 1 107 107 ILE H H 1 9.37 0.02 . 1 . . . . 156 ILE H . 25383 1 341 . 1 1 107 107 ILE C C 13 173.4 0.2 . 1 . . . . 156 ILE C . 25383 1 342 . 1 1 107 107 ILE CA C 13 59 0.2 . 1 . . . . 156 ILE CA . 25383 1 343 . 1 1 107 107 ILE CB C 13 40.7 0.2 . 1 . . . . 156 ILE CB . 25383 1 344 . 1 1 107 107 ILE N N 15 124.9 0.2 . 1 . . . . 156 ILE N . 25383 1 345 . 1 1 109 109 ASP H H 1 9.17 0.02 . 1 . . . . 158 ASP H . 25383 1 346 . 1 1 109 109 ASP C C 13 176.6 0.2 . 1 . . . . 158 ASP C . 25383 1 347 . 1 1 109 109 ASP CA C 13 51.8 0.2 . 1 . . . . 158 ASP CA . 25383 1 348 . 1 1 109 109 ASP CB C 13 46.2 0.2 . 1 . . . . 158 ASP CB . 25383 1 349 . 1 1 109 109 ASP N N 15 123.3 0.2 . 1 . . . . 158 ASP N . 25383 1 350 . 1 1 110 110 THR H H 1 7.41 0.02 . 1 . . . . 159 THR H . 25383 1 351 . 1 1 110 110 THR C C 13 173.5 0.2 . 1 . . . . 159 THR C . 25383 1 352 . 1 1 110 110 THR CA C 13 59.3 0.2 . 1 . . . . 159 THR CA . 25383 1 353 . 1 1 110 110 THR CB C 13 66.7 0.2 . 1 . . . . 159 THR CB . 25383 1 354 . 1 1 110 110 THR N N 15 111.8 0.2 . 1 . . . . 159 THR N . 25383 1 355 . 1 1 111 111 GLY H H 1 9.23 0.02 . 1 . . . . 160 GLY H . 25383 1 356 . 1 1 111 111 GLY C C 13 172 0.2 . 1 . . . . 160 GLY C . 25383 1 357 . 1 1 111 111 GLY CA C 13 44.6 0.2 . 1 . . . . 160 GLY CA . 25383 1 358 . 1 1 111 111 GLY N N 15 107.6 0.2 . 1 . . . . 160 GLY N . 25383 1 359 . 1 1 112 112 ILE H H 1 6.6 0.02 . 1 . . . . 161 ILE H . 25383 1 360 . 1 1 112 112 ILE C C 13 175 0.2 . 1 . . . . 161 ILE C . 25383 1 361 . 1 1 112 112 ILE CA C 13 62.4 0.2 . 1 . . . . 161 ILE CA . 25383 1 362 . 1 1 112 112 ILE CB C 13 39.8 0.2 . 1 . . . . 161 ILE CB . 25383 1 363 . 1 1 112 112 ILE N N 15 115.7 0.2 . 1 . . . . 161 ILE N . 25383 1 364 . 1 1 113 113 GLY H H 1 8.45 0.02 . 1 . . . . 162 GLY H . 25383 1 365 . 1 1 113 113 GLY C C 13 172.6 0.2 . 1 . . . . 162 GLY C . 25383 1 366 . 1 1 113 113 GLY CA C 13 44.2 0.2 . 1 . . . . 162 GLY CA . 25383 1 367 . 1 1 113 113 GLY N N 15 108.5 0.2 . 1 . . . . 162 GLY N . 25383 1 368 . 1 1 114 114 MET H H 1 7.44 0.02 . 1 . . . . 163 MET H . 25383 1 369 . 1 1 114 114 MET C C 13 175.9 0.2 . 1 . . . . 163 MET C . 25383 1 370 . 1 1 114 114 MET CA C 13 54.4 0.2 . 1 . . . . 163 MET CA . 25383 1 371 . 1 1 114 114 MET CB C 13 36.7 0.2 . 1 . . . . 163 MET CB . 25383 1 372 . 1 1 114 114 MET N N 15 116.6 0.2 . 1 . . . . 163 MET N . 25383 1 373 . 1 1 115 115 THR H H 1 8.86 0.02 . 1 . . . . 164 THR H . 25383 1 374 . 1 1 115 115 THR C C 13 174.5 0.2 . 1 . . . . 164 THR C . 25383 1 375 . 1 1 115 115 THR CA C 13 60 0.2 . 1 . . . . 164 THR CA . 25383 1 376 . 1 1 115 115 THR CB C 13 70.7 0.2 . 1 . . . . 164 THR CB . 25383 1 377 . 1 1 115 115 THR N N 15 112.3 0.2 . 1 . . . . 164 THR N . 25383 1 378 . 1 1 116 116 GLN H H 1 8.67 0.02 . 1 . . . . 165 GLN H . 25383 1 379 . 1 1 116 116 GLN C C 13 177.3 0.2 . 1 . . . . 165 GLN C . 25383 1 380 . 1 1 116 116 GLN CA C 13 59.9 0.2 . 1 . . . . 165 GLN CA . 25383 1 381 . 1 1 116 116 GLN CB C 13 26.4 0.2 . 1 . . . . 165 GLN CB . 25383 1 382 . 1 1 116 116 GLN N N 15 120.2 0.2 . 1 . . . . 165 GLN N . 25383 1 383 . 1 1 117 117 GLU H H 1 8.36 0.02 . 1 . . . . 166 GLU H . 25383 1 384 . 1 1 117 117 GLU C C 13 179.6 0.2 . 1 . . . . 166 GLU C . 25383 1 385 . 1 1 117 117 GLU CA C 13 59.2 0.2 . 1 . . . . 166 GLU CA . 25383 1 386 . 1 1 117 117 GLU CB C 13 28.2 0.2 . 1 . . . . 166 GLU CB . 25383 1 387 . 1 1 117 117 GLU N N 15 115.8 0.2 . 1 . . . . 166 GLU N . 25383 1 388 . 1 1 118 118 GLU H H 1 7.58 0.02 . 1 . . . . 167 GLU H . 25383 1 389 . 1 1 118 118 GLU C C 13 178.8 0.2 . 1 . . . . 167 GLU C . 25383 1 390 . 1 1 118 118 GLU CA C 13 58.3 0.2 . 1 . . . . 167 GLU CA . 25383 1 391 . 1 1 118 118 GLU CB C 13 28.8 0.2 . 1 . . . . 167 GLU CB . 25383 1 392 . 1 1 118 118 GLU N N 15 119.8 0.2 . 1 . . . . 167 GLU N . 25383 1 393 . 1 1 119 119 LEU H H 1 8.15 0.02 . 1 . . . . 168 LEU H . 25383 1 394 . 1 1 119 119 LEU C C 13 179.9 0.2 . 1 . . . . 168 LEU C . 25383 1 395 . 1 1 119 119 LEU CA C 13 54.1 0.2 . 1 . . . . 168 LEU CA . 25383 1 396 . 1 1 119 119 LEU CB C 13 40.5 0.2 . 1 . . . . 168 LEU CB . 25383 1 397 . 1 1 119 119 LEU N N 15 120.7 0.2 . 1 . . . . 168 LEU N . 25383 1 398 . 1 1 131 131 SER H H 1 8.14 0.02 . 1 . . . . 180 SER H . 25383 1 399 . 1 1 131 131 SER C C 13 175 0.2 . 1 . . . . 180 SER C . 25383 1 400 . 1 1 131 131 SER CA C 13 59.2 0.2 . 1 . . . . 180 SER CA . 25383 1 401 . 1 1 131 131 SER CB C 13 63.2 0.2 . 1 . . . . 180 SER CB . 25383 1 402 . 1 1 131 131 SER N N 15 115.9 0.2 . 1 . . . . 180 SER N . 25383 1 403 . 1 1 132 132 LYS H H 1 8.34 0.02 . 1 . . . . 181 LYS H . 25383 1 404 . 1 1 132 132 LYS C C 13 177.4 0.2 . 1 . . . . 181 LYS C . 25383 1 405 . 1 1 132 132 LYS CA C 13 58.6 0.2 . 1 . . . . 181 LYS CA . 25383 1 406 . 1 1 132 132 LYS CB C 13 31.6 0.2 . 1 . . . . 181 LYS CB . 25383 1 407 . 1 1 132 132 LYS N N 15 123.8 0.2 . 1 . . . . 181 LYS N . 25383 1 408 . 1 1 133 133 ALA H H 1 8.16 0.02 . 1 . . . . 182 ALA H . 25383 1 409 . 1 1 133 133 ALA C C 13 180 0.2 . 1 . . . . 182 ALA C . 25383 1 410 . 1 1 133 133 ALA CA C 13 54 0.2 . 1 . . . . 182 ALA CA . 25383 1 411 . 1 1 133 133 ALA CB C 13 17.2 0.2 . 1 . . . . 182 ALA CB . 25383 1 412 . 1 1 133 133 ALA N N 15 120.5 0.2 . 1 . . . . 182 ALA N . 25383 1 413 . 1 1 134 134 PHE H H 1 7.81 0.02 . 1 . . . . 183 PHE H . 25383 1 414 . 1 1 134 134 PHE C C 13 176.3 0.2 . 1 . . . . 183 PHE C . 25383 1 415 . 1 1 134 134 PHE CA C 13 59.5 0.2 . 1 . . . . 183 PHE CA . 25383 1 416 . 1 1 134 134 PHE CB C 13 38.3 0.2 . 1 . . . . 183 PHE CB . 25383 1 417 . 1 1 134 134 PHE N N 15 119.2 0.2 . 1 . . . . 183 PHE N . 25383 1 418 . 1 1 135 135 LEU H H 1 8.03 0.02 . 1 . . . . 184 LEU H . 25383 1 419 . 1 1 135 135 LEU C C 13 179.6 0.2 . 1 . . . . 184 LEU C . 25383 1 420 . 1 1 135 135 LEU CA C 13 57 0.2 . 1 . . . . 184 LEU CA . 25383 1 421 . 1 1 135 135 LEU CB C 13 40.6 0.2 . 1 . . . . 184 LEU CB . 25383 1 422 . 1 1 135 135 LEU N N 15 119 0.2 . 1 . . . . 184 LEU N . 25383 1 423 . 1 1 136 136 ASP H H 1 8.44 0.02 . 1 . . . . 185 ASP H . 25383 1 424 . 1 1 136 136 ASP C C 13 178.3 0.2 . 1 . . . . 185 ASP C . 25383 1 425 . 1 1 136 136 ASP CA C 13 56.3 0.2 . 1 . . . . 185 ASP CA . 25383 1 426 . 1 1 136 136 ASP CB C 13 39.5 0.2 . 1 . . . . 185 ASP CB . 25383 1 427 . 1 1 136 136 ASP N N 15 119.3 0.2 . 1 . . . . 185 ASP N . 25383 1 428 . 1 1 137 137 ALA H H 1 7.62 0.02 . 1 . . . . 186 ALA H . 25383 1 429 . 1 1 137 137 ALA C C 13 179.4 0.2 . 1 . . . . 186 ALA C . 25383 1 430 . 1 1 137 137 ALA CA C 13 53.7 0.2 . 1 . . . . 186 ALA CA . 25383 1 431 . 1 1 137 137 ALA CB C 13 17.3 0.2 . 1 . . . . 186 ALA CB . 25383 1 432 . 1 1 137 137 ALA N N 15 122 0.2 . 1 . . . . 186 ALA N . 25383 1 433 . 1 1 138 138 LEU H H 1 7.66 0.02 . 1 . . . . 187 LEU H . 25383 1 434 . 1 1 138 138 LEU C C 13 178.5 0.2 . 1 . . . . 187 LEU C . 25383 1 435 . 1 1 138 138 LEU CA C 13 56 0.2 . 1 . . . . 187 LEU CA . 25383 1 436 . 1 1 138 138 LEU CB C 13 40.8 0.2 . 1 . . . . 187 LEU CB . 25383 1 437 . 1 1 138 138 LEU N N 15 117.4 0.2 . 1 . . . . 187 LEU N . 25383 1 438 . 1 1 139 139 GLN H H 1 7.71 0.02 . 1 . . . . 188 GLN H . 25383 1 439 . 1 1 139 139 GLN C C 13 176.4 0.2 . 1 . . . . 188 GLN C . 25383 1 440 . 1 1 139 139 GLN CA C 13 56.6 0.2 . 1 . . . . 188 GLN CA . 25383 1 441 . 1 1 139 139 GLN CB C 13 28.3 0.2 . 1 . . . . 188 GLN CB . 25383 1 442 . 1 1 139 139 GLN N N 15 116.5 0.2 . 1 . . . . 188 GLN N . 25383 1 443 . 1 1 140 140 ASN H H 1 7.95 0.02 . 1 . . . . 189 ASN H . 25383 1 444 . 1 1 140 140 ASN C C 13 175.3 0.2 . 1 . . . . 189 ASN C . 25383 1 445 . 1 1 140 140 ASN CA C 13 53.3 0.2 . 1 . . . . 189 ASN CA . 25383 1 446 . 1 1 140 140 ASN CB C 13 38.2 0.2 . 1 . . . . 189 ASN CB . 25383 1 447 . 1 1 140 140 ASN N N 15 117.1 0.2 . 1 . . . . 189 ASN N . 25383 1 448 . 1 1 141 141 GLN H H 1 8.13 0.02 . 1 . . . . 190 GLN H . 25383 1 449 . 1 1 141 141 GLN C C 13 176.1 0.2 . 1 . . . . 190 GLN C . 25383 1 450 . 1 1 141 141 GLN CA C 13 55.9 0.2 . 1 . . . . 190 GLN CA . 25383 1 451 . 1 1 141 141 GLN CB C 13 28.1 0.2 . 1 . . . . 190 GLN CB . 25383 1 452 . 1 1 141 141 GLN N N 15 119.8 0.2 . 1 . . . . 190 GLN N . 25383 1 453 . 1 1 142 142 ALA H H 1 8.28 0.02 . 1 . . . . 191 ALA H . 25383 1 454 . 1 1 142 142 ALA C C 13 178.2 0.2 . 1 . . . . 191 ALA C . 25383 1 455 . 1 1 142 142 ALA CA C 13 52.9 0.2 . 1 . . . . 191 ALA CA . 25383 1 456 . 1 1 142 142 ALA CB C 13 18 0.2 . 1 . . . . 191 ALA CB . 25383 1 457 . 1 1 142 142 ALA N N 15 123.7 0.2 . 1 . . . . 191 ALA N . 25383 1 458 . 1 1 143 143 GLU H H 1 8.25 0.02 . 1 . . . . 192 GLU H . 25383 1 459 . 1 1 143 143 GLU C C 13 176.6 0.2 . 1 . . . . 192 GLU C . 25383 1 460 . 1 1 143 143 GLU CA C 13 56.3 0.2 . 1 . . . . 192 GLU CA . 25383 1 461 . 1 1 143 143 GLU CB C 13 28.8 0.2 . 1 . . . . 192 GLU CB . 25383 1 462 . 1 1 143 143 GLU N N 15 118.2 0.2 . 1 . . . . 192 GLU N . 25383 1 463 . 1 1 144 144 ALA H H 1 8.22 0.02 . 1 . . . . 193 ALA H . 25383 1 464 . 1 1 144 144 ALA C C 13 178.4 0.2 . 1 . . . . 193 ALA C . 25383 1 465 . 1 1 144 144 ALA CA C 13 53 0.2 . 1 . . . . 193 ALA CA . 25383 1 466 . 1 1 144 144 ALA CB C 13 18 0.2 . 1 . . . . 193 ALA CB . 25383 1 467 . 1 1 144 144 ALA N N 15 123.5 0.2 . 1 . . . . 193 ALA N . 25383 1 468 . 1 1 172 172 SER H H 1 8.84 0.02 . 1 . . . . 221 SER H . 25383 1 469 . 1 1 172 172 SER C C 13 174.7 0.2 . 1 . . . . 221 SER C . 25383 1 470 . 1 1 172 172 SER CA C 13 57.2 0.2 . 1 . . . . 221 SER CA . 25383 1 471 . 1 1 172 172 SER CB C 13 62.2 0.2 . 1 . . . . 221 SER CB . 25383 1 472 . 1 1 172 172 SER N N 15 121.8 0.2 . 1 . . . . 221 SER N . 25383 1 473 . 1 1 173 173 ALA H H 1 8.3 0.02 . 1 . . . . 222 ALA H . 25383 1 474 . 1 1 173 173 ALA C C 13 177.6 0.2 . 1 . . . . 222 ALA C . 25383 1 475 . 1 1 173 173 ALA CA C 13 52.1 0.2 . 1 . . . . 222 ALA CA . 25383 1 476 . 1 1 173 173 ALA CB C 13 18.5 0.2 . 1 . . . . 222 ALA CB . 25383 1 477 . 1 1 173 173 ALA N N 15 126.3 0.2 . 1 . . . . 222 ALA N . 25383 1 478 . 1 1 174 174 ALA H H 1 8.28 0.02 . 1 . . . . 223 ALA H . 25383 1 479 . 1 1 174 174 ALA C C 13 176.3 0.2 . 1 . . . . 223 ALA C . 25383 1 480 . 1 1 174 174 ALA CA C 13 50.6 0.2 . 1 . . . . 223 ALA CA . 25383 1 481 . 1 1 174 174 ALA CB C 13 16.1 0.2 . 1 . . . . 223 ALA CB . 25383 1 482 . 1 1 174 174 ALA N N 15 124.2 0.2 . 1 . . . . 223 ALA N . 25383 1 483 . 1 1 175 175 PRO C C 13 177.9 0.2 . 1 . . . . 224 PRO C . 25383 1 484 . 1 1 175 175 PRO CA C 13 63.5 0.2 . 1 . . . . 224 PRO CA . 25383 1 485 . 1 1 175 175 PRO CB C 13 30.8 0.2 . 1 . . . . 224 PRO CB . 25383 1 486 . 1 1 176 176 GLY H H 1 8.97 0.02 . 1 . . . . 225 GLY H . 25383 1 487 . 1 1 176 176 GLY C C 13 174.9 0.2 . 1 . . . . 225 GLY C . 25383 1 488 . 1 1 176 176 GLY CA C 13 44.9 0.2 . 1 . . . . 225 GLY CA . 25383 1 489 . 1 1 176 176 GLY N N 15 111.6 0.2 . 1 . . . . 225 GLY N . 25383 1 490 . 1 1 177 177 SER H H 1 7.47 0.02 . 1 . . . . 226 SER H . 25383 1 491 . 1 1 177 177 SER C C 13 174 0.2 . 1 . . . . 226 SER C . 25383 1 492 . 1 1 177 177 SER CA C 13 59.5 0.2 . 1 . . . . 226 SER CA . 25383 1 493 . 1 1 177 177 SER CB C 13 63.5 0.2 . 1 . . . . 226 SER CB . 25383 1 494 . 1 1 177 177 SER N N 15 115.6 0.2 . 1 . . . . 226 SER N . 25383 1 495 . 1 1 178 178 LEU H H 1 8.72 0.02 . 1 . . . . 227 LEU H . 25383 1 496 . 1 1 178 178 LEU C C 13 175.9 0.2 . 1 . . . . 227 LEU C . 25383 1 497 . 1 1 178 178 LEU CA C 13 53.5 0.2 . 1 . . . . 227 LEU CA . 25383 1 498 . 1 1 178 178 LEU CB C 13 41.2 0.2 . 1 . . . . 227 LEU CB . 25383 1 499 . 1 1 178 178 LEU N N 15 124.7 0.2 . 1 . . . . 227 LEU N . 25383 1 500 . 1 1 179 179 GLY H H 1 8.17 0.02 . 1 . . . . 228 GLY H . 25383 1 501 . 1 1 179 179 GLY C C 13 172.5 0.2 . 1 . . . . 228 GLY C . 25383 1 502 . 1 1 179 179 GLY CA C 13 43.4 0.2 . 1 . . . . 228 GLY CA . 25383 1 503 . 1 1 179 179 GLY N N 15 106.3 0.2 . 1 . . . . 228 GLY N . 25383 1 504 . 1 1 180 180 TYR H H 1 8.49 0.02 . 1 . . . . 229 TYR H . 25383 1 505 . 1 1 180 180 TYR C C 13 173.7 0.2 . 1 . . . . 229 TYR C . 25383 1 506 . 1 1 180 180 TYR CA C 13 57.6 0.2 . 1 . . . . 229 TYR CA . 25383 1 507 . 1 1 180 180 TYR CB C 13 44.2 0.2 . 1 . . . . 229 TYR CB . 25383 1 508 . 1 1 180 180 TYR N N 15 115.9 0.2 . 1 . . . . 229 TYR N . 25383 1 509 . 1 1 181 181 GLN H H 1 9.49 0.02 . 1 . . . . 230 GLN H . 25383 1 510 . 1 1 181 181 GLN C C 13 173.3 0.2 . 1 . . . . 230 GLN C . 25383 1 511 . 1 1 181 181 GLN CA C 13 53.1 0.2 . 1 . . . . 230 GLN CA . 25383 1 512 . 1 1 181 181 GLN CB C 13 32.5 0.2 . 1 . . . . 230 GLN CB . 25383 1 513 . 1 1 181 181 GLN N N 15 119.5 0.2 . 1 . . . . 230 GLN N . 25383 1 514 . 1 1 182 182 TRP H H 1 9.71 0.02 . 1 . . . . 231 TRP H . 25383 1 515 . 1 1 182 182 TRP C C 13 175.1 0.2 . 1 . . . . 231 TRP C . 25383 1 516 . 1 1 182 182 TRP CA C 13 55.7 0.2 . 1 . . . . 231 TRP CA . 25383 1 517 . 1 1 182 182 TRP CB C 13 34.1 0.2 . 1 . . . . 231 TRP CB . 25383 1 518 . 1 1 182 182 TRP N N 15 130.9 0.2 . 1 . . . . 231 TRP N . 25383 1 519 . 1 1 183 183 LEU H H 1 8.88 0.02 . 1 . . . . 232 LEU H . 25383 1 520 . 1 1 183 183 LEU C C 13 176.5 0.2 . 1 . . . . 232 LEU C . 25383 1 521 . 1 1 183 183 LEU CA C 13 53.5 0.2 . 1 . . . . 232 LEU CA . 25383 1 522 . 1 1 183 183 LEU CB C 13 46.2 0.2 . 1 . . . . 232 LEU CB . 25383 1 523 . 1 1 183 183 LEU N N 15 127.4 0.2 . 1 . . . . 232 LEU N . 25383 1 524 . 1 1 184 184 SER H H 1 8.22 0.02 . 1 . . . . 233 SER H . 25383 1 525 . 1 1 184 184 SER C C 13 173.7 0.2 . 1 . . . . 233 SER C . 25383 1 526 . 1 1 184 184 SER CA C 13 58.4 0.2 . 1 . . . . 233 SER CA . 25383 1 527 . 1 1 184 184 SER CB C 13 66.7 0.2 . 1 . . . . 233 SER CB . 25383 1 528 . 1 1 184 184 SER N N 15 112.5 0.2 . 1 . . . . 233 SER N . 25383 1 529 . 1 1 185 185 ASP H H 1 8.69 0.02 . 1 . . . . 234 ASP H . 25383 1 530 . 1 1 185 185 ASP C C 13 177.2 0.2 . 1 . . . . 234 ASP C . 25383 1 531 . 1 1 185 185 ASP CA C 13 53 0.2 . 1 . . . . 234 ASP CA . 25383 1 532 . 1 1 185 185 ASP CB C 13 40.4 0.2 . 1 . . . . 234 ASP CB . 25383 1 533 . 1 1 185 185 ASP N N 15 125.7 0.2 . 1 . . . . 234 ASP N . 25383 1 534 . 1 1 192 192 ILE H H 1 8.64 0.02 . 1 . . . . 241 ILE H . 25383 1 535 . 1 1 192 192 ILE C C 13 174.2 0.2 . 1 . . . . 241 ILE C . 25383 1 536 . 1 1 192 192 ILE CA C 13 58.1 0.2 . 1 . . . . 241 ILE CA . 25383 1 537 . 1 1 192 192 ILE CB C 13 41.4 0.2 . 1 . . . . 241 ILE CB . 25383 1 538 . 1 1 192 192 ILE N N 15 118.8 0.2 . 1 . . . . 241 ILE N . 25383 1 539 . 1 1 193 193 ALA H H 1 9.01 0.02 . 1 . . . . 242 ALA H . 25383 1 540 . 1 1 193 193 ALA C C 13 176.4 0.2 . 1 . . . . 242 ALA C . 25383 1 541 . 1 1 193 193 ALA CA C 13 50.9 0.2 . 1 . . . . 242 ALA CA . 25383 1 542 . 1 1 193 193 ALA CB C 13 23.4 0.2 . 1 . . . . 242 ALA CB . 25383 1 543 . 1 1 193 193 ALA N N 15 128.1 0.2 . 1 . . . . 242 ALA N . 25383 1 544 . 1 1 194 194 GLU H H 1 8.94 0.02 . 1 . . . . 243 GLU H . 25383 1 545 . 1 1 194 194 GLU C C 13 175.2 0.2 . 1 . . . . 243 GLU C . 25383 1 546 . 1 1 194 194 GLU CA C 13 56.7 0.2 . 1 . . . . 243 GLU CA . 25383 1 547 . 1 1 194 194 GLU CB C 13 29.3 0.2 . 1 . . . . 243 GLU CB . 25383 1 548 . 1 1 194 194 GLU N N 15 121.9 0.2 . 1 . . . . 243 GLU N . 25383 1 549 . 1 1 195 195 ALA H H 1 8.39 0.02 . 1 . . . . 244 ALA H . 25383 1 550 . 1 1 195 195 ALA C C 13 176.4 0.2 . 1 . . . . 244 ALA C . 25383 1 551 . 1 1 195 195 ALA CA C 13 50.1 0.2 . 1 . . . . 244 ALA CA . 25383 1 552 . 1 1 195 195 ALA CB C 13 21.7 0.2 . 1 . . . . 244 ALA CB . 25383 1 553 . 1 1 195 195 ALA N N 15 125.4 0.2 . 1 . . . . 244 ALA N . 25383 1 554 . 1 1 196 196 SER H H 1 9.15 0.02 . 1 . . . . 245 SER H . 25383 1 555 . 1 1 196 196 SER C C 13 174.9 0.2 . 1 . . . . 245 SER C . 25383 1 556 . 1 1 196 196 SER CA C 13 56.6 0.2 . 1 . . . . 245 SER CA . 25383 1 557 . 1 1 196 196 SER CB C 13 64.4 0.2 . 1 . . . . 245 SER CB . 25383 1 558 . 1 1 196 196 SER N N 15 118.1 0.2 . 1 . . . . 245 SER N . 25383 1 559 . 1 1 197 197 GLY H H 1 8.66 0.02 . 1 . . . . 246 GLY H . 25383 1 560 . 1 1 197 197 GLY C C 13 174.3 0.2 . 1 . . . . 246 GLY C . 25383 1 561 . 1 1 197 197 GLY CA C 13 45.9 0.2 . 1 . . . . 246 GLY CA . 25383 1 562 . 1 1 197 197 GLY N N 15 108.2 0.2 . 1 . . . . 246 GLY N . 25383 1 563 . 1 1 199 199 ARG H H 1 8.8 0.02 . 1 . . . . 248 ARG H . 25383 1 564 . 1 1 199 199 ARG C C 13 175.5 0.2 . 1 . . . . 248 ARG C . 25383 1 565 . 1 1 199 199 ARG CA C 13 55.2 0.2 . 1 . . . . 248 ARG CA . 25383 1 566 . 1 1 199 199 ARG CB C 13 29.4 0.2 . 1 . . . . 248 ARG CB . 25383 1 567 . 1 1 199 199 ARG N N 15 131.7 0.2 . 1 . . . . 248 ARG N . 25383 1 568 . 1 1 200 200 THR H H 1 8.07 0.02 . 1 . . . . 249 THR H . 25383 1 569 . 1 1 200 200 THR C C 13 175 0.2 . 1 . . . . 249 THR C . 25383 1 570 . 1 1 200 200 THR CA C 13 65.1 0.2 . 1 . . . . 249 THR CA . 25383 1 571 . 1 1 200 200 THR CB C 13 68.3 0.2 . 1 . . . . 249 THR CB . 25383 1 572 . 1 1 200 200 THR N N 15 118.6 0.2 . 1 . . . . 249 THR N . 25383 1 573 . 1 1 201 201 GLY H H 1 8.69 0.02 . 1 . . . . 250 GLY H . 25383 1 574 . 1 1 201 201 GLY C C 13 172.9 0.2 . 1 . . . . 250 GLY C . 25383 1 575 . 1 1 201 201 GLY CA C 13 43.3 0.2 . 1 . . . . 250 GLY CA . 25383 1 576 . 1 1 201 201 GLY N N 15 116 0.2 . 1 . . . . 250 GLY N . 25383 1 577 . 1 1 202 202 THR H H 1 7.23 0.02 . 1 . . . . 251 THR H . 25383 1 578 . 1 1 202 202 THR C C 13 171.5 0.2 . 1 . . . . 251 THR C . 25383 1 579 . 1 1 202 202 THR CA C 13 62 0.2 . 1 . . . . 251 THR CA . 25383 1 580 . 1 1 202 202 THR CB C 13 71.5 0.2 . 1 . . . . 251 THR CB . 25383 1 581 . 1 1 202 202 THR N N 15 115.2 0.2 . 1 . . . . 251 THR N . 25383 1 582 . 1 1 203 203 LYS H H 1 9.58 0.02 . 1 . . . . 252 LYS H . 25383 1 583 . 1 1 203 203 LYS C C 13 173.3 0.2 . 1 . . . . 252 LYS C . 25383 1 584 . 1 1 203 203 LYS CA C 13 54.4 0.2 . 1 . . . . 252 LYS CA . 25383 1 585 . 1 1 203 203 LYS CB C 13 35.2 0.2 . 1 . . . . 252 LYS CB . 25383 1 586 . 1 1 203 203 LYS N N 15 129.8 0.2 . 1 . . . . 252 LYS N . 25383 1 587 . 1 1 207 207 HIS H H 1 8.32 0.02 . 1 . . . . 256 HIS H . 25383 1 588 . 1 1 207 207 HIS C C 13 174.9 0.2 . 1 . . . . 256 HIS C . 25383 1 589 . 1 1 207 207 HIS CA C 13 54.9 0.2 . 1 . . . . 256 HIS CA . 25383 1 590 . 1 1 207 207 HIS CB C 13 27.8 0.2 . 1 . . . . 256 HIS CB . 25383 1 591 . 1 1 207 207 HIS N N 15 127.2 0.2 . 1 . . . . 256 HIS N . 25383 1 592 . 1 1 208 208 LEU H H 1 7.95 0.02 . 1 . . . . 257 LEU H . 25383 1 593 . 1 1 208 208 LEU C C 13 177 0.2 . 1 . . . . 257 LEU C . 25383 1 594 . 1 1 208 208 LEU CA C 13 55.6 0.2 . 1 . . . . 257 LEU CA . 25383 1 595 . 1 1 208 208 LEU CB C 13 41.2 0.2 . 1 . . . . 257 LEU CB . 25383 1 596 . 1 1 208 208 LEU N N 15 126.5 0.2 . 1 . . . . 257 LEU N . 25383 1 597 . 1 1 209 209 LYS H H 1 8.55 0.02 . 1 . . . . 258 LYS H . 25383 1 598 . 1 1 209 209 LYS C C 13 178.8 0.2 . 1 . . . . 258 LYS C . 25383 1 599 . 1 1 209 209 LYS CA C 13 55.9 0.2 . 1 . . . . 258 LYS CA . 25383 1 600 . 1 1 209 209 LYS CB C 13 33.6 0.2 . 1 . . . . 258 LYS CB . 25383 1 601 . 1 1 209 209 LYS N N 15 120.1 0.2 . 1 . . . . 258 LYS N . 25383 1 602 . 1 1 210 210 SER H H 1 9.15 0.02 . 1 . . . . 259 SER H . 25383 1 603 . 1 1 210 210 SER C C 13 176.1 0.2 . 1 . . . . 259 SER C . 25383 1 604 . 1 1 210 210 SER CA C 13 61.9 0.2 . 1 . . . . 259 SER CA . 25383 1 605 . 1 1 210 210 SER CB C 13 61.1 0.2 . 1 . . . . 259 SER CB . 25383 1 606 . 1 1 210 210 SER N N 15 117 0.2 . 1 . . . . 259 SER N . 25383 1 607 . 1 1 211 211 ASP H H 1 8.57 0.02 . 1 . . . . 260 ASP H . 25383 1 608 . 1 1 211 211 ASP C C 13 177 0.2 . 1 . . . . 260 ASP C . 25383 1 609 . 1 1 211 211 ASP CA C 13 53.9 0.2 . 1 . . . . 260 ASP CA . 25383 1 610 . 1 1 211 211 ASP CB C 13 39.1 0.2 . 1 . . . . 260 ASP CB . 25383 1 611 . 1 1 211 211 ASP N N 15 116.8 0.2 . 1 . . . . 260 ASP N . 25383 1 612 . 1 1 212 212 CYS H H 1 8.13 0.02 . 1 . . . . 261 CYS H . 25383 1 613 . 1 1 212 212 CYS C C 13 174.9 0.2 . 1 . . . . 261 CYS C . 25383 1 614 . 1 1 212 212 CYS CA C 13 58.6 0.2 . 1 . . . . 261 CYS CA . 25383 1 615 . 1 1 212 212 CYS CB C 13 29.4 0.2 . 1 . . . . 261 CYS CB . 25383 1 616 . 1 1 212 212 CYS N N 15 116.8 0.2 . 1 . . . . 261 CYS N . 25383 1 617 . 1 1 213 213 LYS H H 1 7.63 0.02 . 1 . . . . 262 LYS H . 25383 1 618 . 1 1 213 213 LYS C C 13 178.1 0.2 . 1 . . . . 262 LYS C . 25383 1 619 . 1 1 213 213 LYS CA C 13 58.5 0.2 . 1 . . . . 262 LYS CA . 25383 1 620 . 1 1 213 213 LYS CB C 13 30.7 0.2 . 1 . . . . 262 LYS CB . 25383 1 621 . 1 1 213 213 LYS N N 15 118.9 0.2 . 1 . . . . 262 LYS N . 25383 1 622 . 1 1 214 214 GLU H H 1 9.37 0.02 . 1 . . . . 263 GLU H . 25383 1 623 . 1 1 214 214 GLU C C 13 176.6 0.2 . 1 . . . . 263 GLU C . 25383 1 624 . 1 1 214 214 GLU CA C 13 58.1 0.2 . 1 . . . . 263 GLU CA . 25383 1 625 . 1 1 214 214 GLU CB C 13 27.2 0.2 . 1 . . . . 263 GLU CB . 25383 1 626 . 1 1 214 214 GLU N N 15 121.6 0.2 . 1 . . . . 263 GLU N . 25383 1 627 . 1 1 215 215 PHE H H 1 7.18 0.02 . 1 . . . . 264 PHE H . 25383 1 628 . 1 1 215 215 PHE C C 13 171.1 0.2 . 1 . . . . 264 PHE C . 25383 1 629 . 1 1 215 215 PHE CA C 13 59.6 0.2 . 1 . . . . 264 PHE CA . 25383 1 630 . 1 1 215 215 PHE CB C 13 36.6 0.2 . 1 . . . . 264 PHE CB . 25383 1 631 . 1 1 215 215 PHE N N 15 115.1 0.2 . 1 . . . . 264 PHE N . 25383 1 632 . 1 1 216 216 SER H H 1 7.95 0.02 . 1 . . . . 265 SER H . 25383 1 633 . 1 1 216 216 SER C C 13 172.8 0.2 . 1 . . . . 265 SER C . 25383 1 634 . 1 1 216 216 SER CA C 13 57.3 0.2 . 1 . . . . 265 SER CA . 25383 1 635 . 1 1 216 216 SER CB C 13 64.7 0.2 . 1 . . . . 265 SER CB . 25383 1 636 . 1 1 216 216 SER N N 15 108.2 0.2 . 1 . . . . 265 SER N . 25383 1 637 . 1 1 217 217 SER H H 1 7.53 0.02 . 1 . . . . 266 SER H . 25383 1 638 . 1 1 217 217 SER C C 13 174.8 0.2 . 1 . . . . 266 SER C . 25383 1 639 . 1 1 217 217 SER CA C 13 55.5 0.2 . 1 . . . . 266 SER CA . 25383 1 640 . 1 1 217 217 SER CB C 13 63.2 0.2 . 1 . . . . 266 SER CB . 25383 1 641 . 1 1 217 217 SER N N 15 117.1 0.2 . 1 . . . . 266 SER N . 25383 1 642 . 1 1 218 218 GLU H H 1 8.82 0.02 . 1 . . . . 267 GLU H . 25383 1 643 . 1 1 218 218 GLU C C 13 176.8 0.2 . 1 . . . . 267 GLU C . 25383 1 644 . 1 1 218 218 GLU CA C 13 60.4 0.2 . 1 . . . . 267 GLU CA . 25383 1 645 . 1 1 218 218 GLU CB C 13 28.9 0.2 . 1 . . . . 267 GLU CB . 25383 1 646 . 1 1 218 218 GLU N N 15 129.7 0.2 . 1 . . . . 267 GLU N . 25383 1 647 . 1 1 219 219 ALA H H 1 8.45 0.02 . 1 . . . . 268 ALA H . 25383 1 648 . 1 1 219 219 ALA C C 13 179.5 0.2 . 1 . . . . 268 ALA C . 25383 1 649 . 1 1 219 219 ALA CA C 13 54.9 0.2 . 1 . . . . 268 ALA CA . 25383 1 650 . 1 1 219 219 ALA CB C 13 17.3 0.2 . 1 . . . . 268 ALA CB . 25383 1 651 . 1 1 219 219 ALA N N 15 119.3 0.2 . 1 . . . . 268 ALA N . 25383 1 652 . 1 1 220 220 ARG H H 1 7.07 0.02 . 1 . . . . 269 ARG H . 25383 1 653 . 1 1 220 220 ARG C C 13 178.6 0.2 . 1 . . . . 269 ARG C . 25383 1 654 . 1 1 220 220 ARG CA C 13 56.7 0.2 . 1 . . . . 269 ARG CA . 25383 1 655 . 1 1 220 220 ARG CB C 13 28.9 0.2 . 1 . . . . 269 ARG CB . 25383 1 656 . 1 1 220 220 ARG N N 15 117 0.2 . 1 . . . . 269 ARG N . 25383 1 657 . 1 1 221 221 VAL H H 1 7.88 0.02 . 1 . . . . 270 VAL H . 25383 1 658 . 1 1 221 221 VAL C C 13 177.5 0.2 . 1 . . . . 270 VAL C . 25383 1 659 . 1 1 221 221 VAL CA C 13 66.6 0.2 . 1 . . . . 270 VAL CA . 25383 1 660 . 1 1 221 221 VAL CB C 13 31.2 0.2 . 1 . . . . 270 VAL CB . 25383 1 661 . 1 1 221 221 VAL N N 15 117.6 0.2 . 1 . . . . 270 VAL N . 25383 1 662 . 1 1 222 222 ARG H H 1 9.05 0.02 . 1 . . . . 271 ARG H . 25383 1 663 . 1 1 222 222 ARG C C 13 178.4 0.2 . 1 . . . . 271 ARG C . 25383 1 664 . 1 1 222 222 ARG CA C 13 60 0.2 . 1 . . . . 271 ARG CA . 25383 1 665 . 1 1 222 222 ARG CB C 13 28.7 0.2 . 1 . . . . 271 ARG CB . 25383 1 666 . 1 1 222 222 ARG N N 15 121.6 0.2 . 1 . . . . 271 ARG N . 25383 1 667 . 1 1 223 223 ASP H H 1 7.58 0.02 . 1 . . . . 272 ASP H . 25383 1 668 . 1 1 223 223 ASP C C 13 178.2 0.2 . 1 . . . . 272 ASP C . 25383 1 669 . 1 1 223 223 ASP CA C 13 57.1 0.2 . 1 . . . . 272 ASP CA . 25383 1 670 . 1 1 223 223 ASP CB C 13 39.5 0.2 . 1 . . . . 272 ASP CB . 25383 1 671 . 1 1 223 223 ASP N N 15 119 0.2 . 1 . . . . 272 ASP N . 25383 1 672 . 1 1 224 224 VAL H H 1 7.67 0.02 . 1 . . . . 273 VAL H . 25383 1 673 . 1 1 224 224 VAL C C 13 177.8 0.2 . 1 . . . . 273 VAL C . 25383 1 674 . 1 1 224 224 VAL CA C 13 66 0.2 . 1 . . . . 273 VAL CA . 25383 1 675 . 1 1 224 224 VAL CB C 13 31.7 0.2 . 1 . . . . 273 VAL CB . 25383 1 676 . 1 1 224 224 VAL N N 15 119.5 0.2 . 1 . . . . 273 VAL N . 25383 1 677 . 1 1 225 225 VAL H H 1 8.72 0.02 . 1 . . . . 274 VAL H . 25383 1 678 . 1 1 225 225 VAL C C 13 177.9 0.2 . 1 . . . . 274 VAL C . 25383 1 679 . 1 1 225 225 VAL CA C 13 65.8 0.2 . 1 . . . . 274 VAL CA . 25383 1 680 . 1 1 225 225 VAL CB C 13 31.1 0.2 . 1 . . . . 274 VAL CB . 25383 1 681 . 1 1 225 225 VAL N N 15 116.8 0.2 . 1 . . . . 274 VAL N . 25383 1 682 . 1 1 226 226 THR H H 1 8.1 0.02 . 1 . . . . 275 THR H . 25383 1 683 . 1 1 226 226 THR C C 13 176.4 0.2 . 1 . . . . 275 THR C . 25383 1 684 . 1 1 226 226 THR CA C 13 65.7 0.2 . 1 . . . . 275 THR CA . 25383 1 685 . 1 1 226 226 THR CB C 13 68.5 0.2 . 1 . . . . 275 THR CB . 25383 1 686 . 1 1 226 226 THR N N 15 113.4 0.2 . 1 . . . . 275 THR N . 25383 1 687 . 1 1 227 227 LYS H H 1 7.29 0.02 . 1 . . . . 276 LYS H . 25383 1 688 . 1 1 227 227 LYS C C 13 177.8 0.2 . 1 . . . . 276 LYS C . 25383 1 689 . 1 1 227 227 LYS CA C 13 58.5 0.2 . 1 . . . . 276 LYS CA . 25383 1 690 . 1 1 227 227 LYS CB C 13 31.2 0.2 . 1 . . . . 276 LYS CB . 25383 1 691 . 1 1 227 227 LYS N N 15 120.6 0.2 . 1 . . . . 276 LYS N . 25383 1 692 . 1 1 228 228 TYR H H 1 7.26 0.02 . 1 . . . . 277 TYR H . 25383 1 693 . 1 1 228 228 TYR C C 13 176.7 0.2 . 1 . . . . 277 TYR C . 25383 1 694 . 1 1 228 228 TYR CA C 13 56.5 0.2 . 1 . . . . 277 TYR CA . 25383 1 695 . 1 1 228 228 TYR CB C 13 37.9 0.2 . 1 . . . . 277 TYR CB . 25383 1 696 . 1 1 228 228 TYR N N 15 113.8 0.2 . 1 . . . . 277 TYR N . 25383 1 697 . 1 1 229 229 SER H H 1 7.81 0.02 . 1 . . . . 278 SER H . 25383 1 698 . 1 1 229 229 SER C C 13 175.3 0.2 . 1 . . . . 278 SER C . 25383 1 699 . 1 1 229 229 SER CA C 13 61.6 0.2 . 1 . . . . 278 SER CA . 25383 1 700 . 1 1 229 229 SER CB C 13 63.2 0.2 . 1 . . . . 278 SER CB . 25383 1 701 . 1 1 229 229 SER N N 15 116.6 0.2 . 1 . . . . 278 SER N . 25383 1 702 . 1 1 230 230 ASN H H 1 8.54 0.02 . 1 . . . . 279 ASN H . 25383 1 703 . 1 1 230 230 ASN C C 13 175.5 0.2 . 1 . . . . 279 ASN C . 25383 1 704 . 1 1 230 230 ASN CA C 13 54.4 0.2 . 1 . . . . 279 ASN CA . 25383 1 705 . 1 1 230 230 ASN CB C 13 36.6 0.2 . 1 . . . . 279 ASN CB . 25383 1 706 . 1 1 230 230 ASN N N 15 117.5 0.2 . 1 . . . . 279 ASN N . 25383 1 707 . 1 1 231 231 PHE H H 1 8.04 0.02 . 1 . . . . 280 PHE H . 25383 1 708 . 1 1 231 231 PHE C C 13 174.8 0.2 . 1 . . . . 280 PHE C . 25383 1 709 . 1 1 231 231 PHE CA C 13 57.8 0.2 . 1 . . . . 280 PHE CA . 25383 1 710 . 1 1 231 231 PHE CB C 13 37.8 0.2 . 1 . . . . 280 PHE CB . 25383 1 711 . 1 1 231 231 PHE N N 15 116.7 0.2 . 1 . . . . 280 PHE N . 25383 1 712 . 1 1 232 232 VAL H H 1 7.39 0.02 . 1 . . . . 281 VAL H . 25383 1 713 . 1 1 232 232 VAL C C 13 176.1 0.2 . 1 . . . . 281 VAL C . 25383 1 714 . 1 1 232 232 VAL CA C 13 60.7 0.2 . 1 . . . . 281 VAL CA . 25383 1 715 . 1 1 232 232 VAL CB C 13 33 0.2 . 1 . . . . 281 VAL CB . 25383 1 716 . 1 1 232 232 VAL N N 15 117 0.2 . 1 . . . . 281 VAL N . 25383 1 717 . 1 1 233 233 SER H H 1 8.67 0.02 . 1 . . . . 282 SER H . 25383 1 718 . 1 1 233 233 SER C C 13 172.6 0.2 . 1 . . . . 282 SER C . 25383 1 719 . 1 1 233 233 SER CA C 13 58.1 0.2 . 1 . . . . 282 SER CA . 25383 1 720 . 1 1 233 233 SER CB C 13 62.9 0.2 . 1 . . . . 282 SER CB . 25383 1 721 . 1 1 233 233 SER N N 15 119.4 0.2 . 1 . . . . 282 SER N . 25383 1 722 . 1 1 234 234 PHE H H 1 6.85 0.02 . 1 . . . . 283 PHE H . 25383 1 723 . 1 1 234 234 PHE C C 13 171.9 0.2 . 1 . . . . 283 PHE C . 25383 1 724 . 1 1 234 234 PHE CA C 13 55.7 0.2 . 1 . . . . 283 PHE CA . 25383 1 725 . 1 1 234 234 PHE CB C 13 40.7 0.2 . 1 . . . . 283 PHE CB . 25383 1 726 . 1 1 234 234 PHE N N 15 118 0.2 . 1 . . . . 283 PHE N . 25383 1 727 . 1 1 235 235 PRO C C 13 173.1 0.2 . 1 . . . . 284 PRO C . 25383 1 728 . 1 1 235 235 PRO CA C 13 64 0.2 . 1 . . . . 284 PRO CA . 25383 1 729 . 1 1 235 235 PRO CB C 13 33 0.2 . 1 . . . . 284 PRO CB . 25383 1 730 . 1 1 236 236 LEU H H 1 8.12 0.02 . 1 . . . . 285 LEU H . 25383 1 731 . 1 1 236 236 LEU C C 13 174.5 0.2 . 1 . . . . 285 LEU C . 25383 1 732 . 1 1 236 236 LEU CA C 13 52.7 0.2 . 1 . . . . 285 LEU CA . 25383 1 733 . 1 1 236 236 LEU CB C 13 44.4 0.2 . 1 . . . . 285 LEU CB . 25383 1 734 . 1 1 236 236 LEU N N 15 125.5 0.2 . 1 . . . . 285 LEU N . 25383 1 735 . 1 1 237 237 TYR H H 1 8.94 0.02 . 1 . . . . 286 TYR H . 25383 1 736 . 1 1 237 237 TYR C C 13 174.6 0.2 . 1 . . . . 286 TYR C . 25383 1 737 . 1 1 237 237 TYR CA C 13 55.7 0.2 . 1 . . . . 286 TYR CA . 25383 1 738 . 1 1 237 237 TYR CB C 13 42.1 0.2 . 1 . . . . 286 TYR CB . 25383 1 739 . 1 1 237 237 TYR N N 15 124.6 0.2 . 1 . . . . 286 TYR N . 25383 1 740 . 1 1 238 238 LEU H H 1 9.07 0.02 . 1 . . . . 287 LEU H . 25383 1 741 . 1 1 238 238 LEU C C 13 175.9 0.2 . 1 . . . . 287 LEU C . 25383 1 742 . 1 1 238 238 LEU CA C 13 52.8 0.2 . 1 . . . . 287 LEU CA . 25383 1 743 . 1 1 238 238 LEU CB C 13 43 0.2 . 1 . . . . 287 LEU CB . 25383 1 744 . 1 1 238 238 LEU N N 15 123.1 0.2 . 1 . . . . 287 LEU N . 25383 1 745 . 1 1 239 239 ASN H H 1 9.83 0.02 . 1 . . . . 288 ASN H . 25383 1 746 . 1 1 239 239 ASN C C 13 175.4 0.2 . 1 . . . . 288 ASN C . 25383 1 747 . 1 1 239 239 ASN CA C 13 54.1 0.2 . 1 . . . . 288 ASN CA . 25383 1 748 . 1 1 239 239 ASN CB C 13 36 0.2 . 1 . . . . 288 ASN CB . 25383 1 749 . 1 1 239 239 ASN N N 15 128.1 0.2 . 1 . . . . 288 ASN N . 25383 1 750 . 1 1 240 240 GLY H H 1 8.91 0.02 . 1 . . . . 289 GLY H . 25383 1 751 . 1 1 240 240 GLY C C 13 173.9 0.2 . 1 . . . . 289 GLY C . 25383 1 752 . 1 1 240 240 GLY CA C 13 44.3 0.2 . 1 . . . . 289 GLY CA . 25383 1 753 . 1 1 240 240 GLY N N 15 101.4 0.2 . 1 . . . . 289 GLY N . 25383 1 754 . 1 1 241 241 ARG H H 1 7.97 0.02 . 1 . . . . 290 ARG H . 25383 1 755 . 1 1 241 241 ARG C C 13 175.6 0.2 . 1 . . . . 290 ARG C . 25383 1 756 . 1 1 241 241 ARG CA C 13 54.1 0.2 . 1 . . . . 290 ARG CA . 25383 1 757 . 1 1 241 241 ARG CB C 13 30.4 0.2 . 1 . . . . 290 ARG CB . 25383 1 758 . 1 1 241 241 ARG N N 15 120.4 0.2 . 1 . . . . 290 ARG N . 25383 1 759 . 1 1 242 242 ARG H H 1 9.13 0.02 . 1 . . . . 291 ARG H . 25383 1 760 . 1 1 242 242 ARG C C 13 177.2 0.2 . 1 . . . . 291 ARG C . 25383 1 761 . 1 1 242 242 ARG CA C 13 56.1 0.2 . 1 . . . . 291 ARG CA . 25383 1 762 . 1 1 242 242 ARG CB C 13 29 0.2 . 1 . . . . 291 ARG CB . 25383 1 763 . 1 1 242 242 ARG N N 15 127.5 0.2 . 1 . . . . 291 ARG N . 25383 1 764 . 1 1 243 243 MET H H 1 9.02 0.02 . 1 . . . . 292 MET H . 25383 1 765 . 1 1 243 243 MET C C 13 175.8 0.2 . 1 . . . . 292 MET C . 25383 1 766 . 1 1 243 243 MET CA C 13 53.7 0.2 . 1 . . . . 292 MET CA . 25383 1 767 . 1 1 243 243 MET CB C 13 32.4 0.2 . 1 . . . . 292 MET CB . 25383 1 768 . 1 1 243 243 MET N N 15 123.5 0.2 . 1 . . . . 292 MET N . 25383 1 769 . 1 1 244 244 ASN H H 1 8.07 0.02 . 1 . . . . 293 ASN H . 25383 1 770 . 1 1 244 244 ASN C C 13 174.6 0.2 . 1 . . . . 293 ASN C . 25383 1 771 . 1 1 244 244 ASN CA C 13 51.5 0.2 . 1 . . . . 293 ASN CA . 25383 1 772 . 1 1 244 244 ASN CB C 13 37.7 0.2 . 1 . . . . 293 ASN CB . 25383 1 773 . 1 1 244 244 ASN N N 15 117.7 0.2 . 1 . . . . 293 ASN N . 25383 1 774 . 1 1 245 245 THR H H 1 8.15 0.02 . 1 . . . . 294 THR H . 25383 1 775 . 1 1 245 245 THR C C 13 174.2 0.2 . 1 . . . . 294 THR C . 25383 1 776 . 1 1 245 245 THR CA C 13 61.6 0.2 . 1 . . . . 294 THR CA . 25383 1 777 . 1 1 245 245 THR CB C 13 69.2 0.2 . 1 . . . . 294 THR CB . 25383 1 778 . 1 1 245 245 THR N N 15 113.6 0.2 . 1 . . . . 294 THR N . 25383 1 779 . 1 1 246 246 LEU H H 1 8.16 0.02 . 1 . . . . 295 LEU H . 25383 1 780 . 1 1 246 246 LEU C C 13 176.1 0.2 . 1 . . . . 295 LEU C . 25383 1 781 . 1 1 246 246 LEU CA C 13 54.8 0.2 . 1 . . . . 295 LEU CA . 25383 1 782 . 1 1 246 246 LEU CB C 13 41.1 0.2 . 1 . . . . 295 LEU CB . 25383 1 783 . 1 1 246 246 LEU N N 15 124.1 0.2 . 1 . . . . 295 LEU N . 25383 1 784 . 1 1 247 247 GLN H H 1 7.89 0.02 . 1 . . . . 296 GLN H . 25383 1 785 . 1 1 247 247 GLN C C 13 180.5 0.2 . 1 . . . . 296 GLN C . 25383 1 786 . 1 1 247 247 GLN CA C 13 56.9 0.2 . 1 . . . . 296 GLN CA . 25383 1 787 . 1 1 247 247 GLN CB C 13 29.5 0.2 . 1 . . . . 296 GLN CB . 25383 1 788 . 1 1 247 247 GLN N N 15 125.7 0.2 . 1 . . . . 296 GLN N . 25383 1 stop_ save_