data_17208 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N chemical shift assignments for the nucleotide-binding domain of E.coli DnaK in the ADP.Pi-bound state ; _BMRB_accession_number 17208 _BMRB_flat_file_name bmr17208.str _Entry_type original _Submission_date 2010-09-27 _Accession_date 2010-09-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhuravleva Anastasia . . 2 Gierasch Lila M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 328 "13C chemical shifts" 1015 "15N chemical shifts" 328 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-05-05 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17209 'NBD(1-388) (apo form)' 17210 'NBD(1-392) (ATP-bound state)' 6229 'Entry containing backbone chemical shift assignments for the NBD of thermus thermophilus DnaK' stop_ _Original_release_date 2011-05-05 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Allosteric signal transmission in the nucleotide-binding domain of 70-kDa heat shock protein (Hsp70) molecular chaperones.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21482798 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhuravleva Anastasia . . 2 Gierasch Lila M. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 108 _Journal_issue 17 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6987 _Page_last 6992 _Year 2011 _Details . loop_ _Keyword allostery 'conformational ensemble' DnaK 'Hsp70 molecular chaperone' 'interdomain linker' 'nucleotide-binding domain' 'subdomain motions' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_Ref_1 _Saveframe_category citation _Citation_full . _Citation_title 'Nmrpipe - a Multidimensional Spectral Processing System Based on Unix Pipes' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Delaglio F. . . 2 Grzesiek S. . . 3 Vuister G. . . 4 Zhu G. . . 5 Pfeifer J. . . 6 Bax A. . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 277 _Page_last 293 _Year 1995 _Details . save_ save_Ref_2 _Saveframe_category citation _Citation_full . _Citation_title 'Automated analysis of protein NMR assignments using methods from artificial intelligence' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zimmerman D . . 2 Kulikowski C . . 3 Huang Y . . 4 Feng W . . 5 Tashiro M . . 6 Shimotakahara S . . 7 Chien C . . 8 Powers R . . 9 Montelione G . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full . _Journal_volume 269 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 592 _Page_last 610 _Year 1997 _Details . save_ save_Ref_3 _Saveframe_category citation _Citation_full . _Citation_title 'Optimizing the process of nuclear magnetic resonance spectrum analysis and computer aided resonance assignment' _Citation_status published _Citation_type thesis _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Keller R. . . stop_ _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution ETH _Thesis_institution_city Zurich _Thesis_institution_country Switzerland _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NBD(1-388) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NBD $the_nucleotide-binding_domain_of_DnaK ADP $ADP MG $MG PO4 $PO4 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_the_nucleotide-binding_domain_of_DnaK _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common the_nucleotide-binding_domain_of_DnaK _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'molecular chaperon' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 388 _Mol_residue_sequence ; MGKIIGIDLGTTNSCVAIMD GTTPRVLENAEGDRTTPSII AYTQDGETLVGQPAKRQAVT NPQNTLFAIKRLIGRRFQDE EVQRDVSIMPFKIIAADNGD AWVEVKGQKMAPPQISAEVL KKMKKTAEDYLGEPVTEAVI TVPAYFNDAQRQATKDAGRI AGLEVKRIINEPTAAALAYG LDKGTGNRTIAVYDLGGGAF DISIIEIDEVDGEKTFEVLA TNGDTHLGGEDFDSRLINYL VEEFKKDQGIDLRNDPLAMQ RLKEAAEKAKIELSSAQQTD VNLPYITADATGPKHMNIKV TRAKLESLVEDLVNRSIELL KVALQDAGLSVSDIDDVILV GGQTRMPMVQKKVAEFFGKE PRKDVNPDEAVAIGAAVQGG VLTGDVKD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 LYS 4 ILE 5 ILE 6 GLY 7 ILE 8 ASP 9 LEU 10 GLY 11 THR 12 THR 13 ASN 14 SER 15 CYS 16 VAL 17 ALA 18 ILE 19 MET 20 ASP 21 GLY 22 THR 23 THR 24 PRO 25 ARG 26 VAL 27 LEU 28 GLU 29 ASN 30 ALA 31 GLU 32 GLY 33 ASP 34 ARG 35 THR 36 THR 37 PRO 38 SER 39 ILE 40 ILE 41 ALA 42 TYR 43 THR 44 GLN 45 ASP 46 GLY 47 GLU 48 THR 49 LEU 50 VAL 51 GLY 52 GLN 53 PRO 54 ALA 55 LYS 56 ARG 57 GLN 58 ALA 59 VAL 60 THR 61 ASN 62 PRO 63 GLN 64 ASN 65 THR 66 LEU 67 PHE 68 ALA 69 ILE 70 LYS 71 ARG 72 LEU 73 ILE 74 GLY 75 ARG 76 ARG 77 PHE 78 GLN 79 ASP 80 GLU 81 GLU 82 VAL 83 GLN 84 ARG 85 ASP 86 VAL 87 SER 88 ILE 89 MET 90 PRO 91 PHE 92 LYS 93 ILE 94 ILE 95 ALA 96 ALA 97 ASP 98 ASN 99 GLY 100 ASP 101 ALA 102 TRP 103 VAL 104 GLU 105 VAL 106 LYS 107 GLY 108 GLN 109 LYS 110 MET 111 ALA 112 PRO 113 PRO 114 GLN 115 ILE 116 SER 117 ALA 118 GLU 119 VAL 120 LEU 121 LYS 122 LYS 123 MET 124 LYS 125 LYS 126 THR 127 ALA 128 GLU 129 ASP 130 TYR 131 LEU 132 GLY 133 GLU 134 PRO 135 VAL 136 THR 137 GLU 138 ALA 139 VAL 140 ILE 141 THR 142 VAL 143 PRO 144 ALA 145 TYR 146 PHE 147 ASN 148 ASP 149 ALA 150 GLN 151 ARG 152 GLN 153 ALA 154 THR 155 LYS 156 ASP 157 ALA 158 GLY 159 ARG 160 ILE 161 ALA 162 GLY 163 LEU 164 GLU 165 VAL 166 LYS 167 ARG 168 ILE 169 ILE 170 ASN 171 GLU 172 PRO 173 THR 174 ALA 175 ALA 176 ALA 177 LEU 178 ALA 179 TYR 180 GLY 181 LEU 182 ASP 183 LYS 184 GLY 185 THR 186 GLY 187 ASN 188 ARG 189 THR 190 ILE 191 ALA 192 VAL 193 TYR 194 ASP 195 LEU 196 GLY 197 GLY 198 GLY 199 ALA 200 PHE 201 ASP 202 ILE 203 SER 204 ILE 205 ILE 206 GLU 207 ILE 208 ASP 209 GLU 210 VAL 211 ASP 212 GLY 213 GLU 214 LYS 215 THR 216 PHE 217 GLU 218 VAL 219 LEU 220 ALA 221 THR 222 ASN 223 GLY 224 ASP 225 THR 226 HIS 227 LEU 228 GLY 229 GLY 230 GLU 231 ASP 232 PHE 233 ASP 234 SER 235 ARG 236 LEU 237 ILE 238 ASN 239 TYR 240 LEU 241 VAL 242 GLU 243 GLU 244 PHE 245 LYS 246 LYS 247 ASP 248 GLN 249 GLY 250 ILE 251 ASP 252 LEU 253 ARG 254 ASN 255 ASP 256 PRO 257 LEU 258 ALA 259 MET 260 GLN 261 ARG 262 LEU 263 LYS 264 GLU 265 ALA 266 ALA 267 GLU 268 LYS 269 ALA 270 LYS 271 ILE 272 GLU 273 LEU 274 SER 275 SER 276 ALA 277 GLN 278 GLN 279 THR 280 ASP 281 VAL 282 ASN 283 LEU 284 PRO 285 TYR 286 ILE 287 THR 288 ALA 289 ASP 290 ALA 291 THR 292 GLY 293 PRO 294 LYS 295 HIS 296 MET 297 ASN 298 ILE 299 LYS 300 VAL 301 THR 302 ARG 303 ALA 304 LYS 305 LEU 306 GLU 307 SER 308 LEU 309 VAL 310 GLU 311 ASP 312 LEU 313 VAL 314 ASN 315 ARG 316 SER 317 ILE 318 GLU 319 LEU 320 LEU 321 LYS 322 VAL 323 ALA 324 LEU 325 GLN 326 ASP 327 ALA 328 GLY 329 LEU 330 SER 331 VAL 332 SER 333 ASP 334 ILE 335 ASP 336 ASP 337 VAL 338 ILE 339 LEU 340 VAL 341 GLY 342 GLY 343 GLN 344 THR 345 ARG 346 MET 347 PRO 348 MET 349 VAL 350 GLN 351 LYS 352 LYS 353 VAL 354 ALA 355 GLU 356 PHE 357 PHE 358 GLY 359 LYS 360 GLU 361 PRO 362 ARG 363 LYS 364 ASP 365 VAL 366 ASN 367 PRO 368 ASP 369 GLU 370 ALA 371 VAL 372 ALA 373 ILE 374 GLY 375 ALA 376 ALA 377 VAL 378 GLN 379 GLY 380 GLY 381 VAL 382 LEU 383 THR 384 GLY 385 ASP 386 VAL 387 LYS 388 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17209 the_nucleotide-binding_domain_of_DnaK 100.00 388 100.00 100.00 0.00e+00 BMRB 17210 the_nucleotide-binding_domain_of_DnaK 100.00 392 99.74 99.74 0.00e+00 PDB 1DKG "Crystal Structure Of The Nucleotide Exchange Factor Grpe Bound To The Atpase Domain Of The Molecular Chaperone Dnak" 98.71 383 99.74 99.74 0.00e+00 PDB 2KHO "Nmr-Rdc XRAY STRUCTURE OF E. COLI HSP70 (DNAK) CHAPERONE (1-605) Complexed With Adp And Substrate" 100.00 605 99.48 99.48 0.00e+00 PDB 4B9Q "Open Conformation Of Atp-Bound Hsp70 Homolog Dnak" 99.74 605 97.42 97.42 0.00e+00 PDB 4JN4 "Allosteric Opening Of The Polypeptide-binding Site When An Hsp70 Binds Atp" 99.74 608 99.74 99.74 0.00e+00 PDB 4JNE "Allosteric Opening Of The Polypeptide-binding Site When An Hsp70 Binds Atp" 99.74 608 99.74 99.74 0.00e+00 DBJ BAA01595 "DnaK protein homolog [Escherichia coli]" 100.00 638 99.48 99.48 0.00e+00 DBJ BAB33437 "heat shock protein DnaK [Escherichia coli O157:H7 str. Sakai]" 100.00 638 99.48 99.48 0.00e+00 DBJ BAB96589 "chaperone Hsp70, co-chaperone with DnaJ [Escherichia coli str. K12 substr. W3110]" 100.00 638 99.48 99.48 0.00e+00 DBJ BAG75537 "chaperone protein DnaK [Escherichia coli SE11]" 100.00 638 99.48 99.48 0.00e+00 DBJ BAI23377 "chaperone Hsp70 [Escherichia coli O26:H11 str. 11368]" 100.00 638 99.48 99.48 0.00e+00 EMBL CAP74584 "chaperone protein dnaK [Escherichia coli LF82]" 100.00 638 99.48 99.48 0.00e+00 EMBL CAQ30531 "chaperone Hsp70; DNA biosynthesis; autoregulated heat shock proteins, subunit of DnaJ/DnaK/GrpE [Escherichia coli BL21(DE3)]" 100.00 638 99.48 99.48 0.00e+00 EMBL CAQ87598 "chaperone Hsp70, co-chaperone with DnaJ [Escherichia fergusonii ATCC 35469]" 100.00 638 99.48 99.48 0.00e+00 EMBL CAQ96905 "chaperone Hsp70, co-chaperone with DnaJ [Escherichia coli IAI1]" 100.00 638 99.48 99.48 0.00e+00 EMBL CAR01381 "chaperone Hsp70, co-chaperone with DnaJ [Escherichia coli S88]" 100.00 638 99.48 99.48 0.00e+00 GB AAA23694 "heat shock protein 70 precursor [Escherichia coli]" 100.00 638 99.48 99.48 0.00e+00 GB AAC73125 "chaperone Hsp70, with co-chaperone DnaJ [Escherichia coli str. K-12 substr. MG1655]" 100.00 638 99.48 99.48 0.00e+00 GB AAG54314 "chaperone Hsp70; DNA biosynthesis; autoregulated heat shock proteins [Escherichia coli O157:H7 str. EDL933]" 100.00 638 99.48 99.48 0.00e+00 GB AAN41680 "chaperone Hsp70; autoregulated heat shock protein [Shigella flexneri 2a str. 301]" 100.00 638 99.23 99.23 0.00e+00 GB AAN78519 "Chaperone protein dnaK [Escherichia coli CFT073]" 100.00 638 99.48 99.48 0.00e+00 REF NP_308041 "molecular chaperone DnaK [Escherichia coli O157:H7 str. Sakai]" 100.00 638 99.48 99.48 0.00e+00 REF NP_414555 "chaperone Hsp70, with co-chaperone DnaJ [Escherichia coli str. K-12 substr. MG1655]" 100.00 638 99.48 99.48 0.00e+00 REF NP_705973 "molecular chaperone DnaK [Shigella flexneri 2a str. 301]" 100.00 638 99.23 99.23 0.00e+00 REF WP_000407451 "chaperone protein DnaK, partial [Escherichia coli]" 92.53 609 99.16 99.16 0.00e+00 REF WP_000516120 "molecular chaperone DnaK [Shigella flexneri]" 100.00 638 99.23 99.23 0.00e+00 SP A1A766 "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" 100.00 638 99.48 99.48 0.00e+00 SP A7MIK5 "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" 100.00 638 97.42 98.71 0.00e+00 SP A7ZHA4 "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" 100.00 638 99.48 99.48 0.00e+00 SP A7ZVV7 "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" 100.00 638 99.48 99.48 0.00e+00 SP A8ALU3 "RecName: Full=Chaperone protein DnaK; AltName: Full=HSP70; AltName: Full=Heat shock 70 kDa protein; AltName: Full=Heat shock pr" 100.00 638 97.16 98.45 0.00e+00 stop_ save_ ############# # Ligands # ############# save_ADP _Saveframe_category ligand _Mol_type non-polymer _Name_common "ADP (ADENOSINE-5'-DIPHOSPHATE)" _BMRB_code . _PDB_code ADP _Molecular_mass 427.201 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 12:38:50 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O3A O3A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? N6 N6 N . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOB2 HOB2 H . 0 . ? HOB3 HOB3 H . 0 . ? HOA2 HOA2 H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN61 HN61 H . 0 . ? HN62 HN62 H . 0 . ? H2 H2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3B HOB3 ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O3A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? SING C6 N6 ? ? DOUB C6 N1 ? ? SING N6 HN61 ? ? SING N6 HN62 ? ? SING N1 C2 ? ? DOUB C2 N3 ? ? SING C2 H2 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_MG _Saveframe_category ligand _Mol_type non-polymer _Name_common "MG (MAGNESIUM ION)" _BMRB_code . _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 12:39:07 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_PO4 _Saveframe_category ligand _Mol_type non-polymer _Name_common "PO4 (PHOSPHATE ION)" _BMRB_code . _PDB_code PO4 _Molecular_mass 94.971 _Mol_charge -3 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 12:39:32 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons P P P . 0 . ? O1 O1 O . 0 . ? O2 O2 O . -1 . ? O3 O3 O . -1 . ? O4 O4 O . -1 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB P O1 ? ? SING P O2 ? ? SING P O3 ? ? SING P O4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $the_nucleotide-binding_domain_of_DnaK 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $the_nucleotide-binding_domain_of_DnaK 'recombinant technology' . Escherichia coli BL21(DE3) pMS119-EH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'potassium phosphate' 10 mM 'natural abundance' 'magnesium chloride' 10 mM 'natural abundance' 'AEBSF protease inhibitor' 1 uM 'natural abundance' DTT 5 mM 'natural abundance' DSS 0.5 mM 'natural abundance' $ADP 10 mM 'natural abundance' 'potassium chloride' 10 mM 'natural abundance' $the_nucleotide-binding_domain_of_DnaK 0.5 mM '[U-97% 2H; U-95% 13C; U-95% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller, Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'TCI cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_TROSY-HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $sample_1 save_ save_3D_TROSY-HNcaCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNcaCO' _Sample_label $sample_1 save_ save_3D_TROSY-HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_1 save_ save_3D_TROSY-HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $sample_1 save_ save_3D_TROSY-HNcoCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNcoCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.050 . M pH 7.0 0.1 pH pressure 1 . atm temperature 299 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details 'chemical shifts for Ca/Cb and N atoms were corrected for H2-isotope effects' loop_ _Software_label $NMRPipe $NMRDraw $CARA $AutoAssign stop_ loop_ _Experiment_label '2D 1H-15N TROSY' '3D TROSY-HNCO' '3D TROSY-HNcaCO' '3D TROSY-HNCA' '3D TROSY-HNCACB' '3D TROSY-HNcoCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NBD _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLY C C 170.39 0.3 1 2 2 2 GLY CA C 43.523 0.3 1 3 3 3 LYS H H 9.02 0.03 1 4 3 3 LYS C C 175.474 0.3 1 5 3 3 LYS CA C 55.659 0.3 1 6 3 3 LYS CB C 33.051 0.3 1 7 3 3 LYS N N 122.425 0.3 1 8 4 4 ILE H H 8.06 0.03 1 9 4 4 ILE C C 176.333 0.3 1 10 4 4 ILE CA C 61.171 0.3 1 11 4 4 ILE CB C 38.179 0.3 1 12 4 4 ILE N N 122.727 0.3 1 13 5 5 ILE H H 7.555 0.03 1 14 5 5 ILE C C 173.839 0.3 1 15 5 5 ILE CA C 60.796 0.3 1 16 5 5 ILE CB C 39.229 0.3 1 17 5 5 ILE N N 120.335 0.3 1 18 6 6 GLY H H 9.022 0.03 1 19 6 6 GLY C C 171.629 0.3 1 20 6 6 GLY CA C 44.637 0.3 1 21 6 6 GLY N N 109.807 0.3 1 22 7 7 ILE H H 8.574 0.03 1 23 7 7 ILE C C 173.985 0.3 1 24 7 7 ILE CA C 60.482 0.3 1 25 7 7 ILE CB C 42.823 0.3 1 26 7 7 ILE N N 123.543 0.3 1 27 8 8 ASP H H 8.074 0.03 1 28 8 8 ASP C C 175.635 0.3 1 29 8 8 ASP CA C 51.737 0.3 1 30 8 8 ASP N N 124.292 0.3 1 31 9 9 LEU H H 6.529 0.03 1 32 9 9 LEU CA C 52.422 0.3 1 33 9 9 LEU CB C 42.359 0.3 1 34 9 9 LEU N N 129.816 0.3 1 35 14 14 SER C C 172.465 0.3 1 36 14 14 SER CA C 58.068 0.3 1 37 15 15 CYS H H 8.555 0.03 1 38 15 15 CYS C C 170.698 0.3 1 39 15 15 CYS CA C 58.298 0.3 1 40 15 15 CYS N N 124.569 0.3 1 41 16 16 VAL H H 9.212 0.03 1 42 16 16 VAL C C 170.541 0.3 1 43 16 16 VAL CA C 58.401 0.3 1 44 16 16 VAL CB C 35.669 0.3 1 45 16 16 VAL N N 128.613 0.3 1 46 17 17 ALA H H 9.015 0.03 1 47 17 17 ALA C C 175.134 0.3 1 48 17 17 ALA CA C 49.733 0.3 1 49 17 17 ALA CB C 23.641 0.3 1 50 17 17 ALA N N 128.337 0.3 1 51 18 18 ILE H H 8.454 0.03 1 52 18 18 ILE C C 174.515 0.3 1 53 18 18 ILE CA C 58.916 0.3 1 54 18 18 ILE CB C 43.259 0.3 1 55 18 18 ILE N N 113.53 0.3 1 56 19 19 MET H H 8.397 0.03 1 57 19 19 MET C C 174.702 0.3 1 58 19 19 MET CA C 54.138 0.3 1 59 19 19 MET CB C 29.647 0.3 1 60 19 19 MET N N 121.208 0.3 1 61 20 20 ASP H H 8.365 0.03 1 62 20 20 ASP C C 175.969 0.3 1 63 20 20 ASP CA C 52.26 0.3 1 64 20 20 ASP CB C 40.768 0.3 1 65 20 20 ASP N N 128.546 0.3 1 66 21 21 GLY H H 8.244 0.03 1 67 21 21 GLY C C 174.988 0.3 1 68 21 21 GLY CA C 46.807 0.3 1 69 21 21 GLY N N 114.404 0.3 1 70 22 22 THR H H 8.484 0.03 1 71 22 22 THR C C 174.382 0.3 1 72 22 22 THR CA C 61.93 0.3 1 73 22 22 THR CB C 69.251 0.3 1 74 22 22 THR N N 117.947 0.3 1 75 23 23 THR H H 7.653 0.03 1 76 23 23 THR C C 171.708 0.3 1 77 23 23 THR CA C 59.368 0.3 1 78 23 23 THR CB C 71.459 0.3 1 79 23 23 THR N N 119.351 0.3 1 80 24 24 PRO C C 176.178 0.3 1 81 24 24 PRO CA C 62.458 0.3 1 82 24 24 PRO CB C 32.714 0.3 1 83 25 25 ARG H H 9.142 0.03 1 84 25 25 ARG C C 174.622 0.3 1 85 25 25 ARG CA C 55.293 0.3 1 86 25 25 ARG CB C 33.909 0.3 1 87 25 25 ARG N N 124.846 0.3 1 88 26 26 VAL H H 8.404 0.03 1 89 26 26 VAL C C 175.64 0.3 1 90 26 26 VAL CA C 62.784 0.3 1 91 26 26 VAL CB C 32.482 0.3 1 92 26 26 VAL N N 128.046 0.3 1 93 27 27 LEU H H 8.074 0.03 1 94 27 27 LEU C C 175.899 0.3 1 95 27 27 LEU CA C 53.875 0.3 1 96 27 27 LEU CB C 42.565 0.3 1 97 27 27 LEU N N 126.379 0.3 1 98 28 28 GLU H H 8.109 0.03 1 99 28 28 GLU C C 176.289 0.3 1 100 28 28 GLU CA C 55.752 0.3 1 101 28 28 GLU CB C 30.611 0.3 1 102 28 28 GLU N N 120.44 0.3 1 103 29 29 ASN H H 8.057 0.03 1 104 29 29 ASN C C 177.499 0.3 1 105 29 29 ASN CA C 51.45 0.3 1 106 29 29 ASN CB C 38.659 0.3 1 107 29 29 ASN N N 118.711 0.3 1 108 30 30 ALA H H 8.371 0.03 1 109 30 30 ALA C C 178.609 0.3 1 110 30 30 ALA CA C 54.921 0.3 1 111 30 30 ALA CB C 18.252 0.3 1 112 30 30 ALA N N 121.8 0.3 1 113 31 31 GLU H H 7.698 0.03 1 114 31 31 GLU C C 176.269 0.3 1 115 31 31 GLU CA C 58.364 0.3 1 116 31 31 GLU CB C 28.919 0.3 1 117 31 31 GLU N N 116.706 0.3 1 118 32 32 GLY H H 8.132 0.03 1 119 32 32 GLY C C 173.612 0.3 1 120 32 32 GLY CA C 44.99 0.3 1 121 32 32 GLY N N 108.467 0.3 1 122 33 33 ASP H H 7.825 0.03 1 123 33 33 ASP C C 177.459 0.3 1 124 33 33 ASP CA C 53.648 0.3 1 125 33 33 ASP CB C 43.459 0.3 1 126 33 33 ASP N N 119.831 0.3 1 127 34 34 ARG H H 9.163 0.03 1 128 34 34 ARG C C 175.217 0.3 1 129 34 34 ARG CA C 58.059 0.3 1 130 34 34 ARG CB C 31.159 0.3 1 131 34 34 ARG N N 123.376 0.3 1 132 35 35 THR H H 7.364 0.03 1 133 35 35 THR C C 173.469 0.3 1 134 35 35 THR CA C 60.102 0.3 1 135 35 35 THR CB C 72.359 0.3 1 136 35 35 THR N N 108.511 0.3 1 137 36 36 THR H H 9.252 0.03 1 138 36 36 THR C C 171.772 0.3 1 139 36 36 THR CA C 60.102 0.3 1 140 36 36 THR CB C 72.951 0.3 1 141 36 36 THR N N 117.885 0.3 1 142 37 37 PRO C C 177.97 0.3 1 143 37 37 PRO CA C 63.795 0.3 1 144 37 37 PRO CB C 32.838 0.3 1 145 38 38 SER H H 9.485 0.03 1 146 38 38 SER C C 175.405 0.3 1 147 38 38 SER CA C 55.256 0.3 1 148 38 38 SER CB C 62.009 0.3 1 149 38 38 SER N N 125.377 0.3 1 150 39 39 ILE H H 8.434 0.03 1 151 39 39 ILE C C 173.147 0.3 1 152 39 39 ILE CA C 60.785 0.3 1 153 39 39 ILE CB C 41.659 0.3 1 154 39 39 ILE N N 127.052 0.3 1 155 40 40 ILE H H 8.433 0.03 1 156 40 40 ILE C C 173.584 0.3 1 157 40 40 ILE CA C 60.727 0.3 1 158 40 40 ILE CB C 43.221 0.3 1 159 40 40 ILE N N 128.027 0.3 1 160 41 41 ALA H H 9.301 0.03 1 161 41 41 ALA C C 174.403 0.3 1 162 41 41 ALA CA C 50.079 0.3 1 163 41 41 ALA CB C 25.168 0.3 1 164 41 41 ALA N N 127.196 0.3 1 165 42 42 TYR H H 7.834 0.03 1 166 42 42 TYR C C 177.222 0.3 1 167 42 42 TYR CA C 56.947 0.3 1 168 42 42 TYR CB C 39.006 0.3 1 169 42 42 TYR N N 121.086 0.3 1 170 43 43 THR H H 8.585 0.03 1 171 43 43 THR C C 177.289 0.3 1 172 43 43 THR CA C 61.26 0.3 1 173 43 43 THR CB C 71.287 0.3 1 174 43 43 THR N N 114.635 0.3 1 175 44 44 GLN C C 176.639 0.3 1 176 44 44 GLN CA C 58.527 0.3 1 177 44 44 GLN CB C 29.62 0.3 1 178 45 45 ASP H H 7.876 0.03 1 179 45 45 ASP C C 176.209 0.3 1 180 45 45 ASP CA C 54.226 0.3 1 181 45 45 ASP CB C 40.509 0.3 1 182 45 45 ASP N N 116.559 0.3 1 183 46 46 GLY H H 7.697 0.03 1 184 46 46 GLY C C 174.787 0.3 1 185 46 46 GLY CA C 45.889 0.3 1 186 46 46 GLY N N 107.641 0.3 1 187 47 47 GLU H H 7.549 0.03 1 188 47 47 GLU C C 175.919 0.3 1 189 47 47 GLU CA C 55.889 0.3 1 190 47 47 GLU CB C 31.169 0.3 1 191 47 47 GLU N N 121.086 0.3 1 192 48 48 THR H H 8.537 0.03 1 193 48 48 THR C C 174.125 0.3 1 194 48 48 THR CA C 61.63 0.3 1 195 48 48 THR CB C 69.759 0.3 1 196 48 48 THR N N 120.492 0.3 1 197 49 49 LEU H H 9.167 0.03 1 198 49 49 LEU C C 175.79 0.3 1 199 49 49 LEU CA C 52.748 0.3 1 200 49 49 LEU CB C 44.809 0.3 1 201 49 49 LEU N N 127.568 0.3 1 202 50 50 VAL H H 8.489 0.03 1 203 50 50 VAL C C 175.879 0.3 1 204 50 50 VAL CA C 60.715 0.3 1 205 50 50 VAL CB C 35.641 0.3 1 206 50 50 VAL N N 120.853 0.3 1 207 51 51 GLY H H 8.597 0.03 1 208 51 51 GLY C C 176.052 0.3 1 209 51 51 GLY CA C 45.174 0.3 1 210 51 51 GLY N N 114.107 0.3 1 211 52 52 GLN H H 10.476 0.03 1 212 52 52 GLN C C 175.035 0.3 1 213 52 52 GLN CA C 60.555 0.3 1 214 52 52 GLN CB C 25.788 0.3 1 215 52 52 GLN N N 129.556 0.3 1 216 53 53 PRO C C 178.6 0.3 1 217 53 53 PRO CA C 65.897 0.3 1 218 53 53 PRO CB C 32.063 0.3 1 219 54 54 ALA H H 6.452 0.03 1 220 54 54 ALA C C 179.915 0.3 1 221 54 54 ALA CA C 53.459 0.3 1 222 54 54 ALA CB C 19.399 0.3 1 223 54 54 ALA N N 116.249 0.3 1 224 55 55 LYS H H 8.356 0.03 1 225 55 55 LYS C C 178.725 0.3 1 226 55 55 LYS CA C 60.719 0.3 1 227 55 55 LYS CB C 33.709 0.3 1 228 55 55 LYS N N 123.665 0.3 1 229 56 56 ARG H H 7.96 0.03 1 230 56 56 ARG C C 175.593 0.3 1 231 56 56 ARG CA C 58.295 0.3 1 232 56 56 ARG CB C 30.359 0.3 1 233 56 56 ARG N N 114.707 0.3 1 234 57 57 GLN H H 7.129 0.03 1 235 57 57 GLN C C 174.821 0.3 1 236 57 57 GLN CA C 53.789 0.3 1 237 57 57 GLN CB C 29.469 0.3 1 238 57 57 GLN N N 112.323 0.3 1 239 58 58 ALA H H 7.148 0.03 1 240 58 58 ALA C C 179.769 0.3 1 241 58 58 ALA CA C 55.554 0.3 1 242 58 58 ALA CB C 19.149 0.3 1 243 58 58 ALA N N 124.26 0.3 1 244 59 59 VAL C C 177.318 0.3 1 245 59 59 VAL CB C 31.485 0.3 1 246 60 60 THR H H 7.028 0.03 1 247 60 60 THR C C 174.583 0.3 1 248 60 60 THR CA C 62.349 0.3 1 249 60 60 THR CB C 69.157 0.3 1 250 60 60 THR N N 107.682 0.3 1 251 61 61 ASN H H 7.467 0.03 1 252 61 61 ASN C C 173.749 0.3 1 253 61 61 ASN CA C 51.25 0.3 1 254 61 61 ASN CB C 38.459 0.3 1 255 61 61 ASN N N 120.214 0.3 1 256 62 62 PRO C C 179.302 0.3 1 257 62 62 PRO CA C 65.567 0.3 1 258 62 62 PRO CB C 32.31 0.3 1 259 63 63 GLN H H 8.662 0.03 1 260 63 63 GLN C C 176.073 0.3 1 261 63 63 GLN CA C 58.932 0.3 1 262 63 63 GLN CB C 28.869 0.3 1 263 63 63 GLN N N 116.013 0.3 1 264 64 64 ASN H H 6.541 0.03 1 265 64 64 ASN C C 173.413 0.3 1 266 64 64 ASN CA C 52.249 0.3 1 267 64 64 ASN CB C 40.509 0.3 1 268 64 64 ASN N N 112.469 0.3 1 269 65 65 THR H H 6.9 0.03 1 270 65 65 THR C C 172.205 0.3 1 271 65 65 THR CA C 63.467 0.3 1 272 65 65 THR CB C 68.859 0.3 1 273 65 65 THR N N 116.777 0.3 1 274 66 66 LEU H H 9.648 0.03 1 275 66 66 LEU C C 173.66 0.3 1 276 66 66 LEU CA C 53.944 0.3 1 277 66 66 LEU CB C 42.27 0.3 1 278 66 66 LEU N N 128.216 0.3 1 279 67 67 PHE H H 6.39 0.03 1 280 67 67 PHE C C 171.209 0.3 1 281 67 67 PHE CA C 54.911 0.3 1 282 67 67 PHE CB C 40.388 0.3 1 283 67 67 PHE N N 116.776 0.3 1 284 68 68 ALA H H 9.367 0.03 1 285 68 68 ALA C C 177.379 0.3 1 286 68 68 ALA CA C 54.037 0.3 1 287 68 68 ALA CB C 17.249 0.3 1 288 68 68 ALA N N 115.927 0.3 1 289 69 69 ILE H H 7.805 0.03 1 290 69 69 ILE C C 178.099 0.3 1 291 69 69 ILE CA C 60.682 0.3 1 292 69 69 ILE N N 118.759 0.3 1 293 70 70 LYS C C 177.222 0.3 1 294 71 71 ARG H H 7.725 0.03 1 295 71 71 ARG C C 175.927 0.3 1 296 71 71 ARG CA C 58.466 0.3 1 297 71 71 ARG N N 114.642 0.3 1 298 72 72 LEU H H 7.732 0.03 1 299 72 72 LEU C C 177.368 0.3 1 300 72 72 LEU CA C 54.966 0.3 1 301 72 72 LEU CB C 44.302 0.3 1 302 72 72 LEU N N 114.574 0.3 1 303 73 73 ILE H H 6.993 0.03 1 304 73 73 ILE C C 175.367 0.3 1 305 73 73 ILE CA C 63.369 0.3 1 306 73 73 ILE CB C 39.626 0.3 1 307 73 73 ILE N N 119.291 0.3 1 308 74 74 GLY H H 9.918 0.03 1 309 74 74 GLY C C 173.684 0.3 1 310 74 74 GLY CA C 46.293 0.3 1 311 74 74 GLY N N 114.934 0.3 1 312 75 75 ARG H H 8.058 0.03 1 313 75 75 ARG C C 177.034 0.3 1 314 75 75 ARG CA C 56.016 0.3 1 315 75 75 ARG CB C 32.359 0.3 1 316 75 75 ARG N N 118.361 0.3 1 317 76 76 ARG H H 8.81 0.03 1 318 76 76 ARG C C 176.744 0.3 1 319 76 76 ARG CA C 54.921 0.3 1 320 76 76 ARG CB C 30.435 0.3 1 321 76 76 ARG N N 121.311 0.3 1 322 77 77 PHE H H 8.798 0.03 1 323 77 77 PHE C C 175.489 0.3 1 324 77 77 PHE CA C 61.685 0.3 1 325 77 77 PHE CB C 39.26 0.3 1 326 77 77 PHE N N 123.014 0.3 1 327 78 78 GLN H H 8.183 0.03 1 328 78 78 GLN C C 175.468 0.3 1 329 78 78 GLN CA C 55.89 0.3 1 330 78 78 GLN CB C 28.269 0.3 1 331 78 78 GLN N N 111.908 0.3 1 332 79 79 ASP H H 7.277 0.03 1 333 79 79 ASP C C 177.473 0.3 1 334 79 79 ASP CA C 55.016 0.3 1 335 79 79 ASP CB C 42.359 0.3 1 336 79 79 ASP N N 123.606 0.3 1 337 80 80 GLU H H 9.107 0.03 1 338 80 80 GLU C C 179.12 0.3 1 339 80 80 GLU CA C 60.488 0.3 1 340 80 80 GLU CB C 29.669 0.3 1 341 80 80 GLU N N 128.157 0.3 1 342 81 81 GLU H H 9.092 0.03 1 343 81 81 GLU C C 178.766 0.3 1 344 81 81 GLU CA C 59.438 0.3 1 345 81 81 GLU CB C 29.569 0.3 1 346 81 81 GLU N N 119.421 0.3 1 347 82 82 VAL H H 6.879 0.03 1 348 82 82 VAL C C 178.35 0.3 1 349 82 82 VAL CA C 65.992 0.3 1 350 82 82 VAL CB C 31.802 0.3 1 351 82 82 VAL N N 120.139 0.3 1 352 83 83 GLN H H 8.097 0.03 1 353 83 83 GLN C C 178.62 0.3 1 354 83 83 GLN CA C 58.172 0.3 1 355 83 83 GLN CB C 28.511 0.3 1 356 83 83 GLN N N 116.408 0.3 1 357 84 84 ARG H H 7.522 0.03 1 358 84 84 ARG C C 178.189 0.3 1 359 84 84 ARG CA C 59.166 0.3 1 360 84 84 ARG CB C 29.759 0.3 1 361 84 84 ARG N N 119.667 0.3 1 362 85 85 ASP H H 7.393 0.03 1 363 85 85 ASP C C 178.619 0.3 1 364 85 85 ASP CA C 56.952 0.3 1 365 85 85 ASP CB C 39.605 0.3 1 366 85 85 ASP N N 121.35 0.3 1 367 86 86 VAL H H 8.332 0.03 1 368 86 86 VAL C C 177.99 0.3 1 369 86 86 VAL CA C 66.39 0.3 1 370 86 86 VAL CB C 32.241 0.3 1 371 86 86 VAL N N 122.143 0.3 1 372 87 87 SER H H 7.278 0.03 1 373 87 87 SER C C 174.659 0.3 1 374 87 87 SER CA C 60.262 0.3 1 375 87 87 SER N N 110.923 0.3 1 376 88 88 ILE H H 7.258 0.03 1 377 88 88 ILE C C 176.828 0.3 1 378 88 88 ILE CA C 61.969 0.3 1 379 88 88 ILE CB C 40.479 0.3 1 380 88 88 ILE N N 116.666 0.3 1 381 89 89 MET H H 7.753 0.03 1 382 89 89 MET C C 175.439 0.3 1 383 89 89 MET CA C 53.045 0.3 1 384 89 89 MET CB C 30.517 0.3 1 385 89 89 MET N N 122.16 0.3 1 386 90 90 PRO C C 176.434 0.3 1 387 90 90 PRO CA C 63.436 0.3 1 388 90 90 PRO CB C 31.766 0.3 1 389 91 91 PHE H H 5.99 0.03 1 390 91 91 PHE C C 173.341 0.3 1 391 91 91 PHE CA C 53.373 0.3 1 392 91 91 PHE CB C 40.451 0.3 1 393 91 91 PHE N N 115.132 0.3 1 394 92 92 LYS H H 8.878 0.03 1 395 92 92 LYS C C 174.733 0.3 1 396 92 92 LYS CA C 57.38 0.3 1 397 92 92 LYS CB C 33.359 0.3 1 398 92 92 LYS N N 122.004 0.3 1 399 93 93 ILE H H 7.826 0.03 1 400 93 93 ILE C C 175.665 0.3 1 401 93 93 ILE CA C 61.444 0.3 1 402 93 93 ILE CB C 39.479 0.3 1 403 93 93 ILE N N 129.034 0.3 1 404 94 94 ILE H H 8.668 0.03 1 405 94 94 ILE C C 173.561 0.3 1 406 94 94 ILE CA C 59.269 0.3 1 407 94 94 ILE CB C 43.179 0.3 1 408 94 94 ILE N N 121.073 0.3 1 409 95 95 ALA H H 7.495 0.03 1 410 95 95 ALA C C 177.849 0.3 1 411 95 95 ALA CA C 50.86 0.3 1 412 95 95 ALA CB C 18.149 0.3 1 413 95 95 ALA N N 123.171 0.3 1 414 96 96 ALA H H 8.633 0.03 1 415 96 96 ALA C C 179.059 0.3 1 416 96 96 ALA CA C 50.979 0.3 1 417 96 96 ALA CB C 17.249 0.3 1 418 96 96 ALA N N 126.32 0.3 1 419 97 97 ASP C C 176.631 0.3 1 420 97 97 ASP CA C 57.36 0.3 1 421 97 97 ASP CB C 39.604 0.3 1 422 98 98 ASN H H 7.311 0.03 1 423 98 98 ASN C C 177.089 0.3 1 424 98 98 ASN CA C 52.349 0.3 1 425 98 98 ASN CB C 37.809 0.3 1 426 98 98 ASN N N 114.435 0.3 1 427 99 99 GLY H H 7.823 0.03 1 428 99 99 GLY C C 175.074 0.3 1 429 99 99 GLY CA C 44.789 0.3 1 430 99 99 GLY N N 108.42 0.3 1 431 100 100 ASP H H 7.983 0.03 1 432 100 100 ASP C C 174.299 0.3 1 433 100 100 ASP CA C 55.937 0.3 1 434 100 100 ASP CB C 40.259 0.3 1 435 100 100 ASP N N 124.465 0.3 1 436 101 101 ALA H H 8.391 0.03 1 437 101 101 ALA C C 174.709 0.3 1 438 101 101 ALA CA C 52.779 0.3 1 439 101 101 ALA CB C 19.54 0.3 1 440 101 101 ALA N N 121.915 0.3 1 441 102 102 TRP H H 9.588 0.03 1 442 102 102 TRP C C 174.662 0.3 1 443 102 102 TRP CA C 55.332 0.3 1 444 102 102 TRP CB C 33.751 0.3 1 445 102 102 TRP N N 129.949 0.3 1 446 103 103 VAL H H 8.757 0.03 1 447 103 103 VAL C C 174.403 0.3 1 448 103 103 VAL CA C 60.131 0.3 1 449 103 103 VAL CB C 35.741 0.3 1 450 103 103 VAL N N 114.35 0.3 1 451 104 104 GLU H H 8.419 0.03 1 452 104 104 GLU C C 174.829 0.3 1 453 104 104 GLU CA C 54.99 0.3 1 454 104 104 GLU CB C 33.119 0.3 1 455 104 104 GLU N N 125.017 0.3 1 456 105 105 VAL H H 8.599 0.03 1 457 105 105 VAL C C 175.37 0.3 1 458 105 105 VAL CA C 61.397 0.3 1 459 105 105 VAL CB C 35.723 0.3 1 460 105 105 VAL N N 126.171 0.3 1 461 106 106 LYS H H 9.439 0.03 1 462 106 106 LYS C C 176.64 0.3 1 463 106 106 LYS CA C 57.276 0.3 1 464 106 106 LYS CB C 29.997 0.3 1 465 106 106 LYS N N 128.243 0.3 1 466 107 107 GLY H H 8.615 0.03 1 467 107 107 GLY C C 173.489 0.3 1 468 107 107 GLY CA C 45.289 0.3 1 469 107 107 GLY N N 104.89 0.3 1 470 108 108 GLN H H 8.058 0.03 1 471 108 108 GLN C C 174.429 0.3 1 472 108 108 GLN CA C 54.227 0.3 1 473 108 108 GLN CB C 30.119 0.3 1 474 108 108 GLN N N 121.827 0.3 1 475 109 109 LYS H H 8.588 0.03 1 476 109 109 LYS C C 176.159 0.3 1 477 109 109 LYS CA C 56.498 0.3 1 478 109 109 LYS CB C 32.959 0.3 1 479 109 109 LYS N N 125.16 0.3 1 480 110 110 MET H H 9.369 0.03 1 481 110 110 MET C C 172.453 0.3 1 482 110 110 MET CA C 54.88 0.3 1 483 110 110 MET CB C 36.619 0.3 1 484 110 110 MET N N 123.708 0.3 1 485 111 111 ALA H H 7.552 0.03 1 486 111 111 ALA C C 177.347 0.3 1 487 111 111 ALA CA C 48.781 0.3 1 488 111 111 ALA CB C 19.149 0.3 1 489 111 111 ALA N N 126.138 0.3 1 490 113 113 PRO C C 177.741 0.3 1 491 113 113 PRO CA C 66.544 0.3 1 492 113 113 PRO CB C 30.789 0.3 1 493 114 114 GLN H H 7.355 0.03 1 494 114 114 GLN C C 176.889 0.3 1 495 114 114 GLN CA C 58.968 0.3 1 496 114 114 GLN CB C 29.397 0.3 1 497 114 114 GLN N N 113.752 0.3 1 498 115 115 ILE H H 7.26 0.03 1 499 115 115 ILE C C 179.138 0.3 1 500 115 115 ILE CA C 63.317 0.3 1 501 115 115 ILE CB C 37.759 0.3 1 502 115 115 ILE N N 119.368 0.3 1 503 116 116 SER C C 176.535 0.3 1 504 116 116 SER CA C 62.706 0.3 1 505 117 117 ALA H H 8.135 0.03 1 506 117 117 ALA C C 179.316 0.3 1 507 117 117 ALA CA C 55.442 0.3 1 508 117 117 ALA CB C 19.887 0.3 1 509 117 117 ALA N N 122.248 0.3 1 510 118 118 GLU H H 7.518 0.03 1 511 118 118 GLU C C 180.345 0.3 1 512 118 118 GLU CA C 58.818 0.3 1 513 118 118 GLU CB C 28.412 0.3 1 514 118 118 GLU N N 115.796 0.3 1 515 119 119 VAL H H 6.908 0.03 1 516 119 119 VAL C C 178.683 0.3 1 517 119 119 VAL CA C 66.137 0.3 1 518 119 119 VAL CB C 32.221 0.3 1 519 119 119 VAL N N 119.702 0.3 1 520 120 120 LEU H H 7.623 0.03 1 521 120 120 LEU C C 178.623 0.3 1 522 120 120 LEU CA C 58.299 0.3 1 523 120 120 LEU CB C 41.765 0.3 1 524 120 120 LEU N N 119.15 0.3 1 525 121 121 LYS H H 8.846 0.03 1 526 121 121 LYS C C 179.122 0.3 1 527 121 121 LYS CA C 60.9 0.3 1 528 121 121 LYS CB C 32.936 0.3 1 529 121 121 LYS N N 120.467 0.3 1 530 122 122 LYS H H 7.104 0.03 1 531 122 122 LYS C C 179.518 0.3 1 532 122 122 LYS CA C 58.874 0.3 1 533 122 122 LYS CB C 31.952 0.3 1 534 122 122 LYS N N 121.277 0.3 1 535 123 123 MET H H 8.073 0.03 1 536 123 123 MET C C 177.222 0.3 1 537 123 123 MET CA C 57.919 0.3 1 538 123 123 MET N N 121.957 0.3 1 539 124 124 LYS H H 8.363 0.03 1 540 124 124 LYS C C 177.219 0.3 1 541 124 124 LYS CA C 60.035 0.3 1 542 124 124 LYS CB C 34.659 0.3 1 543 124 124 LYS N N 121.22 0.3 1 544 125 125 LYS H H 8.047 0.03 1 545 125 125 LYS C C 177.741 0.3 1 546 125 125 LYS CA C 58.759 0.3 1 547 125 125 LYS CB C 32.359 0.3 1 548 125 125 LYS N N 120.086 0.3 1 549 126 126 THR H H 7.972 0.03 1 550 126 126 THR C C 176.679 0.3 1 551 126 126 THR CA C 67.012 0.3 1 552 126 126 THR CB C 69.559 0.3 1 553 126 126 THR N N 116.418 0.3 1 554 127 127 ALA H H 7.558 0.03 1 555 127 127 ALA C C 178.489 0.3 1 556 127 127 ALA CA C 55.379 0.3 1 557 127 127 ALA CB C 18.949 0.3 1 558 127 127 ALA N N 122.963 0.3 1 559 128 128 GLU H H 8.622 0.03 1 560 128 128 GLU C C 180.769 0.3 1 561 128 128 GLU CA C 59.903 0.3 1 562 128 128 GLU CB C 29.319 0.3 1 563 128 128 GLU N N 120.803 0.3 1 564 129 129 ASP H H 9.01 0.03 1 565 129 129 ASP C C 178.019 0.3 1 566 129 129 ASP CA C 57.049 0.3 1 567 129 129 ASP CB C 39.659 0.3 1 568 129 129 ASP N N 122.08 0.3 1 569 130 130 TYR H H 7.3 0.03 1 570 130 130 TYR C C 177.559 0.3 1 571 130 130 TYR CA C 61.162 0.3 1 572 130 130 TYR CB C 39.259 0.3 1 573 130 130 TYR N N 120.274 0.3 1 574 131 131 LEU H H 8.652 0.03 1 575 131 131 LEU C C 178.839 0.3 1 576 131 131 LEU CA C 56.22 0.3 1 577 131 131 LEU CB C 44.359 0.3 1 578 131 131 LEU N N 117.832 0.3 1 579 132 132 GLY H H 8.526 0.03 1 580 132 132 GLY C C 173.381 0.3 1 581 132 132 GLY CA C 45.89 0.3 1 582 132 132 GLY N N 107.965 0.3 1 583 133 133 GLU H H 7.266 0.03 1 584 133 133 GLU C C 171.529 0.3 1 585 133 133 GLU CA C 53.335 0.3 1 586 133 133 GLU CB C 31.269 0.3 1 587 133 133 GLU N N 116.657 0.3 1 588 134 134 PRO C C 176.876 0.3 1 589 134 134 PRO CA C 62.74 0.3 1 590 134 134 PRO CB C 32.63 0.3 1 591 135 135 VAL H H 9.898 0.03 1 592 135 135 VAL C C 175.271 0.3 1 593 135 135 VAL CA C 62.165 0.3 1 594 135 135 VAL CB C 34.541 0.3 1 595 135 135 VAL N N 125.768 0.3 1 596 136 136 THR H H 9.072 0.03 1 597 136 136 THR C C 174.423 0.3 1 598 136 136 THR CA C 61.286 0.3 1 599 136 136 THR CB C 70.759 0.3 1 600 136 136 THR N N 114.105 0.3 1 601 137 137 GLU H H 7.839 0.03 1 602 137 137 GLU C C 174.423 0.3 1 603 137 137 GLU CA C 55.94 0.3 1 604 137 137 GLU CB C 35.469 0.3 1 605 137 137 GLU N N 123.3 0.3 1 606 138 138 ALA H H 8.215 0.03 1 607 138 138 ALA C C 176.202 0.3 1 608 138 138 ALA CA C 50.78 0.3 1 609 138 138 ALA CB C 25.049 0.3 1 610 138 138 ALA N N 119.396 0.3 1 611 139 139 VAL H H 8.799 0.03 1 612 139 139 VAL C C 174.674 0.3 1 613 139 139 VAL CA C 62.23 0.3 1 614 139 139 VAL CB C 34.389 0.3 1 615 139 139 VAL N N 122.281 0.3 1 616 140 140 ILE H H 7.372 0.03 1 617 140 140 ILE C C 174.197 0.3 1 618 140 140 ILE CA C 59.663 0.3 1 619 140 140 ILE CB C 41.379 0.3 1 620 140 140 ILE N N 124.729 0.3 1 621 141 141 THR H H 7.785 0.03 1 622 141 141 THR C C 174.156 0.3 1 623 141 141 THR CA C 59.523 0.3 1 624 141 141 THR CB C 69.448 0.3 1 625 141 141 THR N N 116.619 0.3 1 626 142 142 VAL H H 7.814 0.03 1 627 142 142 VAL C C 173.033 0.3 1 628 142 142 VAL CA C 57.793 0.3 1 629 142 142 VAL CB C 33.799 0.3 1 630 142 142 VAL N N 108.594 0.3 1 631 143 143 PRO C C 177.193 0.3 1 632 143 143 PRO CA C 62.323 0.3 1 633 144 144 ALA H H 10.201 0.03 1 634 144 144 ALA C C 177.389 0.3 1 635 144 144 ALA CA C 54.421 0.3 1 636 144 144 ALA CB C 17.743 0.3 1 637 144 144 ALA N N 125.126 0.3 1 638 145 145 TYR H H 6.261 0.03 1 639 145 145 TYR C C 176.422 0.3 1 640 145 145 TYR CA C 55.702 0.3 1 641 145 145 TYR CB C 37.259 0.3 1 642 145 145 TYR N N 107.231 0.3 1 643 146 146 PHE H H 7.26 0.03 1 644 146 146 PHE C C 177.598 0.3 1 645 146 146 PHE CA C 56.744 0.3 1 646 146 146 PHE CB C 36.813 0.3 1 647 146 146 PHE N N 125.396 0.3 1 648 147 147 ASN H H 9.165 0.03 1 649 147 147 ASN C C 176.277 0.3 1 650 147 147 ASN CA C 51.273 0.3 1 651 147 147 ASN CB C 38.986 0.3 1 652 147 147 ASN N N 125.023 0.3 1 653 148 148 ASP H H 8.397 0.03 1 654 148 148 ASP C C 178.243 0.3 1 655 148 148 ASP CA C 58.55 0.3 1 656 148 148 ASP CB C 40.559 0.3 1 657 148 148 ASP N N 117.948 0.3 1 658 149 149 ALA H H 8.128 0.03 1 659 149 149 ALA C C 181.889 0.3 1 660 149 149 ALA CA C 55.618 0.3 1 661 149 149 ALA CB C 17.949 0.3 1 662 149 149 ALA N N 125.067 0.3 1 663 150 150 GLN H H 8.681 0.03 1 664 150 150 GLN C C 179.601 0.3 1 665 150 150 GLN CA C 59.653 0.3 1 666 150 150 GLN CB C 29.719 0.3 1 667 150 150 GLN N N 120.406 0.3 1 668 151 151 ARG H H 8.554 0.03 1 669 151 151 ARG C C 178.117 0.3 1 670 151 151 ARG CA C 61.359 0.3 1 671 151 151 ARG CB C 29.759 0.3 1 672 151 151 ARG N N 122.112 0.3 1 673 152 152 GLN H H 8.807 0.03 1 674 152 152 GLN C C 177.979 0.3 1 675 152 152 GLN CA C 58.789 0.3 1 676 152 152 GLN CB C 27.819 0.3 1 677 152 152 GLN N N 120.767 0.3 1 678 153 153 ALA H H 8.141 0.03 1 679 153 153 ALA C C 179.46 0.3 1 680 153 153 ALA CA C 54.969 0.3 1 681 153 153 ALA CB C 19.549 0.3 1 682 153 153 ALA N N 121.345 0.3 1 683 154 154 THR C C 175.736 0.3 1 684 155 155 LYS H H 8.055 0.03 1 685 155 155 LYS C C 179.488 0.3 1 686 155 155 LYS CA C 61.16 0.3 1 687 155 155 LYS CB C 31.859 0.3 1 688 155 155 LYS N N 123.555 0.3 1 689 156 156 ASP H H 8.734 0.03 1 690 156 156 ASP C C 177.9 0.3 1 691 156 156 ASP CA C 57.598 0.3 1 692 156 156 ASP CB C 39.959 0.3 1 693 156 156 ASP N N 121.856 0.3 1 694 157 157 ALA H H 7.723 0.03 1 695 157 157 ALA C C 179.174 0.3 1 696 157 157 ALA CA C 55.079 0.3 1 697 157 157 ALA CB C 18.299 0.3 1 698 157 157 ALA N N 122.579 0.3 1 699 158 158 GLY H H 7.564 0.03 1 700 158 158 GLY C C 174.069 0.3 1 701 158 158 GLY CA C 47.776 0.3 1 702 158 158 GLY N N 103.973 0.3 1 703 159 159 ARG H H 8.128 0.03 1 704 159 159 ARG C C 181.558 0.3 1 705 159 159 ARG CA C 59.633 0.3 1 706 159 159 ARG CB C 29.459 0.3 1 707 159 159 ARG N N 124.63 0.3 1 708 160 160 ILE H H 8.471 0.03 1 709 160 160 ILE C C 177.365 0.3 1 710 160 160 ILE CA C 65.411 0.3 1 711 160 160 ILE CB C 38.807 0.3 1 712 160 160 ILE N N 124.166 0.3 1 713 161 161 ALA H H 7.415 0.03 1 714 161 161 ALA C C 175.665 0.3 1 715 161 161 ALA CA C 52.479 0.3 1 716 161 161 ALA CB C 20.049 0.3 1 717 161 161 ALA N N 120.78 0.3 1 718 162 162 GLY H H 7.822 0.03 1 719 162 162 GLY C C 174.249 0.3 1 720 162 162 GLY CA C 45.289 0.3 1 721 162 162 GLY N N 106.582 0.3 1 722 163 163 LEU H H 8.159 0.03 1 723 163 163 LEU C C 175.359 0.3 1 724 163 163 LEU CA C 52.632 0.3 1 725 163 163 LEU CB C 44.059 0.3 1 726 163 163 LEU N N 120.035 0.3 1 727 164 164 GLU H H 8.86 0.03 1 728 164 164 GLU C C 175.689 0.3 1 729 164 164 GLU CA C 55.604 0.3 1 730 164 164 GLU CB C 29.711 0.3 1 731 164 164 GLU N N 124.385 0.3 1 732 165 165 VAL H H 8.386 0.03 1 733 165 165 VAL C C 175.689 0.3 1 734 165 165 VAL CA C 62.341 0.3 1 735 165 165 VAL CB C 30.899 0.3 1 736 165 165 VAL N N 129.203 0.3 1 737 166 166 LYS H H 8.886 0.03 1 738 166 166 LYS C C 177.269 0.3 1 739 166 166 LYS CA C 56.859 0.3 1 740 166 166 LYS CB C 32.359 0.3 1 741 166 166 LYS N N 130.227 0.3 1 742 167 167 ARG H H 7.122 0.03 1 743 167 167 ARG C C 173.391 0.3 1 744 167 167 ARG CA C 55.334 0.3 1 745 167 167 ARG CB C 34.909 0.3 1 746 167 167 ARG N N 114.021 0.3 1 747 168 168 ILE H H 8.231 0.03 1 748 168 168 ILE C C 176.799 0.3 1 749 168 168 ILE CA C 58.869 0.3 1 750 168 168 ILE CB C 38.129 0.3 1 751 168 168 ILE N N 124.942 0.3 1 752 169 169 ILE H H 7.597 0.03 1 753 169 169 ILE C C 174.089 0.3 1 754 169 169 ILE CA C 58.044 0.3 1 755 169 169 ILE CB C 41.679 0.3 1 756 169 169 ILE N N 120.399 0.3 1 757 170 170 ASN H H 8.52 0.03 1 758 170 170 ASN C C 177.138 0.3 1 759 170 170 ASN CA C 51.99 0.3 1 760 170 170 ASN N N 119.63 0.3 1 761 171 171 GLU H H 8.888 0.03 1 762 171 171 GLU CA C 61.451 0.3 1 763 171 171 GLU CB C 26.919 0.3 1 764 171 171 GLU N N 123.131 0.3 1 765 173 173 THR C C 175.074 0.3 1 766 173 173 THR CA C 66.655 0.3 1 767 173 173 THR CB C 69.909 0.3 1 768 174 174 ALA H H 7.934 0.03 1 769 174 174 ALA C C 179.286 0.3 1 770 174 174 ALA CA C 55.517 0.3 1 771 174 174 ALA CB C 18.599 0.3 1 772 174 174 ALA N N 123.668 0.3 1 773 175 175 ALA H H 8.271 0.03 1 774 175 175 ALA C C 178.475 0.3 1 775 175 175 ALA CA C 55.33 0.3 1 776 175 175 ALA N N 119.221 0.3 1 777 176 176 ALA H H 7.675 0.03 1 778 176 176 ALA C C 180.079 0.3 1 779 176 176 ALA CA C 56.006 0.3 1 780 176 176 ALA CB C 17.549 0.3 1 781 176 176 ALA N N 119.939 0.3 1 782 177 177 LEU H H 8.031 0.03 1 783 177 177 LEU CA C 57.733 0.3 1 784 177 177 LEU CB C 41.901 0.3 1 785 177 177 LEU N N 118.741 0.3 1 786 180 180 GLY C C 177.149 0.3 1 787 180 180 GLY CA C 46.446 0.3 1 788 181 181 LEU H H 7.877 0.03 1 789 181 181 LEU C C 176.109 0.3 1 790 181 181 LEU CA C 56.328 0.3 1 791 181 181 LEU CB C 41.036 0.3 1 792 181 181 LEU N N 117.979 0.3 1 793 182 182 ASP H H 9.719 0.03 1 794 182 182 ASP C C 175.179 0.3 1 795 182 182 ASP CA C 54.537 0.3 1 796 182 182 ASP N N 115.645 0.3 1 797 183 183 LYS H H 7.238 0.03 1 798 183 183 LYS C C 177.049 0.3 1 799 183 183 LYS CA C 55.917 0.3 1 800 183 183 LYS CB C 32.376 0.3 1 801 183 183 LYS N N 119.36 0.3 1 802 184 184 GLY H H 7.85 0.03 1 803 184 184 GLY C C 173.479 0.3 1 804 184 184 GLY CA C 44.5 0.3 1 805 184 184 GLY N N 109.351 0.3 1 806 185 185 THR H H 8.095 0.03 1 807 185 185 THR C C 175.109 0.3 1 808 185 185 THR CA C 61.442 0.3 1 809 185 185 THR CB C 70.759 0.3 1 810 185 185 THR N N 114.076 0.3 1 811 186 186 GLY H H 8.434 0.03 1 812 186 186 GLY C C 172.729 0.3 1 813 186 186 GLY CA C 44.69 0.3 1 814 186 186 GLY N N 112.884 0.3 1 815 187 187 ASN H H 8.189 0.03 1 816 187 187 ASN C C 175.279 0.3 1 817 187 187 ASN CA C 53.364 0.3 1 818 187 187 ASN CB C 39.259 0.3 1 819 187 187 ASN N N 120.442 0.3 1 820 188 188 ARG H H 8.46 0.03 1 821 188 188 ARG C C 174.161 0.3 1 822 188 188 ARG CA C 55.342 0.3 1 823 188 188 ARG CB C 34.709 0.3 1 824 188 188 ARG N N 123.424 0.3 1 825 189 189 THR H H 9.681 0.03 1 826 189 189 THR C C 174.417 0.3 1 827 189 189 THR CA C 62.363 0.3 1 828 189 189 THR CB C 69.451 0.3 1 829 189 189 THR N N 122.06 0.3 1 830 190 190 ILE H H 9.445 0.03 1 831 190 190 ILE C C 174.173 0.3 1 832 190 190 ILE CA C 58.607 0.3 1 833 190 190 ILE CB C 41.879 0.3 1 834 190 190 ILE N N 124.049 0.3 1 835 191 191 ALA H H 8.372 0.03 1 836 191 191 ALA C C 174.828 0.3 1 837 191 191 ALA CA C 49.945 0.3 1 838 191 191 ALA CB C 21.87 0.3 1 839 191 191 ALA N N 124.867 0.3 1 840 192 192 VAL H H 9.068 0.03 1 841 192 192 VAL C C 174.153 0.3 1 842 192 192 VAL CA C 62.085 0.3 1 843 192 192 VAL CB C 31.849 0.3 1 844 192 192 VAL N N 123.071 0.3 1 845 193 193 TYR H H 8.54 0.03 1 846 193 193 TYR C C 172.232 0.3 1 847 193 193 TYR CA C 58.43 0.3 1 848 193 193 TYR CB C 39.266 0.3 1 849 193 193 TYR N N 133.031 0.3 1 850 194 194 ASP H H 8.532 0.03 1 851 194 194 ASP C C 175.112 0.3 1 852 194 194 ASP CA C 51.484 0.3 1 853 194 194 ASP N N 129.788 0.3 1 854 195 195 LEU H H 8.026 0.03 1 855 195 195 LEU C C 174.519 0.3 1 856 195 195 LEU CA C 54.159 0.3 1 857 195 195 LEU N N 127.493 0.3 1 858 200 200 PHE C C 173.774 0.3 1 859 201 201 ASP H H 9.459 0.03 1 860 201 201 ASP C C 171.847 0.3 1 861 201 201 ASP CA C 53.777 0.3 1 862 201 201 ASP CB C 45.891 0.3 1 863 201 201 ASP N N 130.778 0.3 1 864 202 202 ILE H H 7.958 0.03 1 865 202 202 ILE C C 173.182 0.3 1 866 202 202 ILE CA C 55.705 0.3 1 867 202 202 ILE CB C 40.629 0.3 1 868 202 202 ILE N N 119.545 0.3 1 869 203 203 SER H H 7.819 0.03 1 870 203 203 SER C C 171.97 0.3 1 871 203 203 SER CA C 57.023 0.3 1 872 203 203 SER CB C 65.509 0.3 1 873 203 203 SER N N 120.255 0.3 1 874 204 204 ILE H H 8.784 0.03 1 875 204 204 ILE C C 175.175 0.3 1 876 204 204 ILE CA C 58.982 0.3 1 877 204 204 ILE N N 126.209 0.3 1 878 205 205 ILE H H 9.158 0.03 1 879 205 205 ILE C C 173.088 0.3 1 880 205 205 ILE CA C 58.759 0.3 1 881 205 205 ILE CB C 42.179 0.3 1 882 205 205 ILE N N 127.037 0.3 1 883 206 206 GLU H H 9.294 0.03 1 884 206 206 GLU C C 175.307 0.3 1 885 206 206 GLU CA C 54.627 0.3 1 886 206 206 GLU CB C 32.511 0.3 1 887 206 206 GLU N N 127.719 0.3 1 888 207 207 ILE H H 9.265 0.03 1 889 207 207 ILE C C 174.569 0.3 1 890 207 207 ILE CA C 60.517 0.3 1 891 207 207 ILE CB C 38.921 0.3 1 892 207 207 ILE N N 130.545 0.3 1 893 208 208 ASP H H 8.133 0.03 1 894 208 208 ASP C C 174.525 0.3 1 895 208 208 ASP CA C 52.25 0.3 1 896 208 208 ASP CB C 43.409 0.3 1 897 208 208 ASP N N 127.984 0.3 1 898 209 209 GLU H H 8.661 0.03 1 899 209 209 GLU C C 175.219 0.3 1 900 209 209 GLU CA C 55.702 0.3 1 901 209 209 GLU CB C 32.111 0.3 1 902 209 209 GLU N N 121.893 0.3 1 903 210 210 VAL H H 8.65 0.03 1 904 210 210 VAL C C 175.979 0.3 1 905 210 210 VAL CA C 62.039 0.3 1 906 210 210 VAL CB C 34.399 0.3 1 907 210 210 VAL N N 127.003 0.3 1 908 211 211 ASP H H 9.265 0.03 1 909 211 211 ASP C C 176.025 0.3 1 910 211 211 ASP CA C 55.649 0.3 1 911 211 211 ASP CB C 39.809 0.3 1 912 211 211 ASP N N 129.5 0.3 1 913 212 212 GLY H H 8.494 0.03 1 914 212 212 GLY C C 173.649 0.3 1 915 212 212 GLY CA C 45.395 0.3 1 916 212 212 GLY N N 104.301 0.3 1 917 213 213 GLU H H 7.726 0.03 1 918 213 213 GLU C C 175.307 0.3 1 919 213 213 GLU CA C 54.674 0.3 1 920 213 213 GLU CB C 32.019 0.3 1 921 213 213 GLU N N 121.652 0.3 1 922 214 214 LYS H H 8.576 0.03 1 923 214 214 LYS C C 176.846 0.3 1 924 214 214 LYS CA C 55.074 0.3 1 925 214 214 LYS CB C 32.509 0.3 1 926 214 214 LYS N N 123.854 0.3 1 927 215 215 THR H H 8.685 0.03 1 928 215 215 THR C C 172.03 0.3 1 929 215 215 THR CA C 60.229 0.3 1 930 215 215 THR CB C 70.99 0.3 1 931 215 215 THR N N 117.435 0.3 1 932 216 216 PHE H H 8.398 0.03 1 933 216 216 PHE C C 175.486 0.3 1 934 216 216 PHE CA C 56.45 0.3 1 935 216 216 PHE CB C 40.651 0.3 1 936 216 216 PHE N N 120.876 0.3 1 937 217 217 GLU H H 8.894 0.03 1 938 217 217 GLU C C 175.486 0.3 1 939 217 217 GLU CA C 55.09 0.3 1 940 217 217 GLU CB C 32.019 0.3 1 941 217 217 GLU N N 125.224 0.3 1 942 218 218 VAL H H 8.916 0.03 1 943 218 218 VAL C C 176.184 0.3 1 944 218 218 VAL CA C 63.052 0.3 1 945 218 218 VAL CB C 31.299 0.3 1 946 218 218 VAL N N 126.758 0.3 1 947 219 219 LEU H H 9.153 0.03 1 948 219 219 LEU C C 177.906 0.3 1 949 219 219 LEU CA C 56.198 0.3 1 950 219 219 LEU CB C 42.709 0.3 1 951 219 219 LEU N N 130.058 0.3 1 952 220 220 ALA H H 7.443 0.03 1 953 220 220 ALA C C 175.693 0.3 1 954 220 220 ALA CA C 53.002 0.3 1 955 220 220 ALA CB C 23.749 0.3 1 956 220 220 ALA N N 116.526 0.3 1 957 221 221 THR H H 8.526 0.03 1 958 221 221 THR C C 172.795 0.3 1 959 221 221 THR CA C 60.319 0.3 1 960 221 221 THR CB C 71.657 0.3 1 961 221 221 THR N N 112.81 0.3 1 962 222 222 ASN H H 9.218 0.03 1 963 222 222 ASN C C 174.626 0.3 1 964 222 222 ASN CA C 53.076 0.3 1 965 222 222 ASN CB C 41.909 0.3 1 966 222 222 ASN N N 124.769 0.3 1 967 223 223 GLY H H 10.352 0.03 1 968 223 223 GLY C C 170.804 0.3 1 969 223 223 GLY CA C 45.65 0.3 1 970 223 223 GLY N N 113.147 0.3 1 971 224 224 ASP H H 8.917 0.03 1 972 224 224 ASP C C 176.601 0.3 1 973 224 224 ASP CA C 54.046 0.3 1 974 224 224 ASP CB C 44.109 0.3 1 975 224 224 ASP N N 120.769 0.3 1 976 225 225 THR H H 8.673 0.03 1 977 225 225 THR C C 174.139 0.3 1 978 225 225 THR CA C 63.283 0.3 1 979 225 225 THR CB C 69.559 0.3 1 980 225 225 THR N N 119.141 0.3 1 981 226 226 HIS H H 9.031 0.03 1 982 226 226 HIS C C 172.675 0.3 1 983 226 226 HIS CA C 54.74 0.3 1 984 226 226 HIS CB C 28.209 0.3 1 985 226 226 HIS N N 121.1 0.3 1 986 227 227 LEU H H 6.786 0.03 1 987 227 227 LEU C C 171.905 0.3 1 988 227 227 LEU CA C 54.646 0.3 1 989 227 227 LEU CB C 44.022 0.3 1 990 227 227 LEU N N 124.866 0.3 1 991 228 228 GLY H H 8.718 0.03 1 992 228 228 GLY C C 174.734 0.3 1 993 228 228 GLY CA C 44.135 0.3 1 994 228 228 GLY N N 107.757 0.3 1 995 229 229 GLY H H 10.056 0.03 1 996 229 229 GLY C C 176.741 0.3 1 997 229 229 GLY CA C 48.647 0.3 1 998 229 229 GLY N N 108.679 0.3 1 999 230 230 GLU H H 9.754 0.03 1 1000 230 230 GLU C C 180.026 0.3 1 1001 230 230 GLU CA C 59.998 0.3 1 1002 230 230 GLU CB C 29.433 0.3 1 1003 230 230 GLU N N 123.098 0.3 1 1004 231 231 ASP H H 7.944 0.03 1 1005 231 231 ASP C C 179.138 0.3 1 1006 231 231 ASP CA C 56.05 0.3 1 1007 231 231 ASP CB C 41.359 0.3 1 1008 231 231 ASP N N 118.081 0.3 1 1009 233 233 ASP C C 179.25 0.3 1 1010 234 234 SER H H 7.94 0.03 1 1011 234 234 SER C C 176.739 0.3 1 1012 234 234 SER CA C 62.048 0.3 1 1013 234 234 SER CB C 62.74 0.3 1 1014 234 234 SER N N 113.701 0.3 1 1015 235 235 ARG H H 7.351 0.03 1 1016 235 235 ARG C C 179.691 0.3 1 1017 235 235 ARG CA C 56.965 0.3 1 1018 235 235 ARG CB C 30.103 0.3 1 1019 235 235 ARG N N 118.94 0.3 1 1020 236 236 LEU H H 7.44 0.03 1 1021 236 236 LEU C C 177.836 0.3 1 1022 236 236 LEU CA C 57.769 0.3 1 1023 236 236 LEU CB C 41.955 0.3 1 1024 236 236 LEU N N 121.546 0.3 1 1025 237 237 ILE H H 9.178 0.03 1 1026 237 237 ILE C C 177.159 0.3 1 1027 237 237 ILE CA C 66.993 0.3 1 1028 237 237 ILE CB C 38.78 0.3 1 1029 237 237 ILE N N 121.697 0.3 1 1030 238 238 ASN H H 8.03 0.03 1 1031 238 238 ASN CA C 57.055 0.3 1 1032 238 238 ASN CB C 38.21 0.3 1 1033 238 238 ASN N N 116.542 0.3 1 1034 239 239 TYR C C 176.345 0.3 1 1035 239 239 TYR CA C 61.361 0.3 1 1036 239 239 TYR CB C 38.906 0.3 1 1037 240 240 LEU H H 8.284 0.03 1 1038 240 240 LEU C C 179.267 0.3 1 1039 240 240 LEU CA C 58.25 0.3 1 1040 240 240 LEU CB C 41.83 0.3 1 1041 240 240 LEU N N 120.024 0.3 1 1042 241 241 VAL H H 8.653 0.03 1 1043 241 241 VAL C C 179.885 0.3 1 1044 241 241 VAL CA C 66.951 0.3 1 1045 241 241 VAL CB C 32.399 0.3 1 1046 241 241 VAL N N 118.613 0.3 1 1047 242 242 GLU H H 8.254 0.03 1 1048 242 242 GLU C C 179.932 0.3 1 1049 242 242 GLU CA C 59.665 0.3 1 1050 242 242 GLU CB C 29.119 0.3 1 1051 242 242 GLU N N 122.286 0.3 1 1052 243 243 GLU H H 8.616 0.03 1 1053 243 243 GLU C C 178.887 0.3 1 1054 243 243 GLU CA C 59.128 0.3 1 1055 243 243 GLU CB C 29.469 0.3 1 1056 243 243 GLU N N 121.655 0.3 1 1057 244 244 PHE C C 177.729 0.3 1 1058 245 245 LYS H H 8.12 0.03 1 1059 245 245 LYS C C 179.693 0.3 1 1060 245 245 LYS CA C 59.697 0.3 1 1061 245 245 LYS CB C 32.759 0.3 1 1062 245 245 LYS N N 120.54 0.3 1 1063 246 246 LYS H H 7.827 0.03 1 1064 246 246 LYS C C 177.789 0.3 1 1065 246 246 LYS CA C 59.497 0.3 1 1066 246 246 LYS CB C 32.359 0.3 1 1067 246 246 LYS N N 120.879 0.3 1 1068 247 247 ASP H H 7.726 0.03 1 1069 247 247 ASP C C 177.339 0.3 1 1070 247 247 ASP CA C 56.849 0.3 1 1071 247 247 ASP CB C 43.009 0.3 1 1072 247 247 ASP N N 117.262 0.3 1 1073 248 248 GLN H H 8.188 0.03 1 1074 248 248 GLN C C 177.279 0.3 1 1075 248 248 GLN CA C 55.39 0.3 1 1076 248 248 GLN CB C 29.919 0.3 1 1077 248 248 GLN N N 113.559 0.3 1 1078 249 249 GLY H H 7.727 0.03 1 1079 249 249 GLY C C 173.489 0.3 1 1080 249 249 GLY CA C 46.289 0.3 1 1081 249 249 GLY N N 108.645 0.3 1 1082 250 250 ILE H H 6.192 0.03 1 1083 250 250 ILE C C 173.839 0.3 1 1084 250 250 ILE CA C 59.908 0.3 1 1085 250 250 ILE CB C 42.779 0.3 1 1086 250 250 ILE N N 118.796 0.3 1 1087 251 251 ASP H H 8.889 0.03 1 1088 251 251 ASP C C 176.864 0.3 1 1089 251 251 ASP CA C 52.249 0.3 1 1090 251 251 ASP CB C 41.251 0.3 1 1091 251 251 ASP N N 128.045 0.3 1 1092 252 252 LEU H H 8.891 0.03 1 1093 252 252 LEU C C 176.919 0.3 1 1094 252 252 LEU CA C 56.655 0.3 1 1095 252 252 LEU CB C 42.309 0.3 1 1096 252 252 LEU N N 127.939 0.3 1 1097 253 253 ARG H H 8.028 0.03 1 1098 253 253 ARG C C 177.789 0.3 1 1099 253 253 ARG CA C 58.773 0.3 1 1100 253 253 ARG CB C 29.809 0.3 1 1101 253 253 ARG N N 115.021 0.3 1 1102 254 254 ASN H H 7.168 0.03 1 1103 254 254 ASN C C 173.725 0.3 1 1104 254 254 ASN CA C 53.412 0.3 1 1105 254 254 ASN CB C 38.851 0.3 1 1106 254 254 ASN N N 114.287 0.3 1 1107 255 255 ASP H H 7.848 0.03 1 1108 255 255 ASP CA C 50.634 0.3 1 1109 255 255 ASP CB C 42.251 0.3 1 1110 255 255 ASP N N 122.249 0.3 1 1111 256 256 PRO C C 178.739 0.3 1 1112 256 256 PRO CA C 64.921 0.3 1 1113 256 256 PRO CB C 32.414 0.3 1 1114 257 257 LEU H H 7.538 0.03 1 1115 257 257 LEU C C 179.957 0.3 1 1116 257 257 LEU CA C 57.803 0.3 1 1117 257 257 LEU CB C 41.228 0.3 1 1118 257 257 LEU N N 117.993 0.3 1 1119 258 258 ALA H H 7.346 0.03 1 1120 258 258 ALA C C 180.48 0.3 1 1121 258 258 ALA CA C 54.906 0.3 1 1122 258 258 ALA CB C 18.749 0.3 1 1123 258 258 ALA N N 123.986 0.3 1 1124 259 259 MET H H 8.261 0.03 1 1125 259 259 MET C C 179.943 0.3 1 1126 259 259 MET CA C 56.242 0.3 1 1127 259 259 MET CB C 29.169 0.3 1 1128 259 259 MET N N 115.285 0.3 1 1129 260 260 GLN H H 7.95 0.03 1 1130 260 260 GLN CA C 59.27 0.3 1 1131 260 260 GLN N N 122.844 0.3 1 1132 261 261 ARG C C 180.284 0.3 1 1133 261 261 ARG CA C 59.453 0.3 1 1134 261 261 ARG CB C 31.186 0.3 1 1135 262 262 LEU H H 8.911 0.03 1 1136 262 262 LEU C C 177.827 0.3 1 1137 262 262 LEU CA C 57.984 0.3 1 1138 262 262 LEU CB C 42.807 0.3 1 1139 262 262 LEU N N 122.548 0.3 1 1140 263 263 LYS H H 8.194 0.03 1 1141 263 263 LYS C C 178.892 0.3 1 1142 263 263 LYS CA C 59.938 0.3 1 1143 263 263 LYS N N 121.701 0.3 1 1144 264 264 GLU H H 7.191 0.03 1 1145 264 264 GLU C C 178.957 0.3 1 1146 264 264 GLU CA C 59.079 0.3 1 1147 264 264 GLU CB C 30.124 0.3 1 1148 264 264 GLU N N 119.098 0.3 1 1149 265 265 ALA H H 8.138 0.03 1 1150 265 265 ALA C C 180.629 0.3 1 1151 265 265 ALA CA C 54.707 0.3 1 1152 265 265 ALA CB C 19.674 0.3 1 1153 265 265 ALA N N 121.496 0.3 1 1154 266 266 ALA H H 9.228 0.03 1 1155 266 266 ALA C C 178.409 0.3 1 1156 266 266 ALA CA C 55.142 0.3 1 1157 266 266 ALA CB C 18.959 0.3 1 1158 266 266 ALA N N 122.487 0.3 1 1159 267 267 GLU H H 7.355 0.03 1 1160 267 267 GLU C C 178.028 0.3 1 1161 267 267 GLU CA C 59.894 0.3 1 1162 267 267 GLU CB C 28.77 0.3 1 1163 267 267 GLU N N 118.829 0.3 1 1164 268 268 LYS H H 7.431 0.03 1 1165 268 268 LYS C C 178.662 0.3 1 1166 268 268 LYS CA C 59.721 0.3 1 1167 268 268 LYS CB C 32.4 0.3 1 1168 268 268 LYS N N 117.51 0.3 1 1169 269 269 ALA H H 8.124 0.03 1 1170 269 269 ALA C C 178.584 0.3 1 1171 269 269 ALA CA C 54.689 0.3 1 1172 269 269 ALA CB C 17.348 0.3 1 1173 269 269 ALA N N 122.377 0.3 1 1174 270 270 LYS H H 8.112 0.03 1 1175 270 270 LYS C C 178.959 0.3 1 1176 270 270 LYS CA C 60.202 0.3 1 1177 270 270 LYS N N 118.677 0.3 1 1178 271 271 ILE H H 7.848 0.03 1 1179 271 271 ILE C C 180.892 0.3 1 1180 271 271 ILE CA C 66.147 0.3 1 1181 271 271 ILE CB C 37.797 0.3 1 1182 271 271 ILE N N 120.335 0.3 1 1183 274 274 SER C C 173.059 0.3 1 1184 275 275 SER H H 7.783 0.03 1 1185 275 275 SER C C 172.939 0.3 1 1186 275 275 SER CA C 59.041 0.3 1 1187 275 275 SER CB C 64.446 0.3 1 1188 275 275 SER N N 113.483 0.3 1 1189 276 276 ALA H H 8.245 0.03 1 1190 276 276 ALA C C 177.169 0.3 1 1191 276 276 ALA CA C 51.099 0.3 1 1192 276 276 ALA CB C 21.899 0.3 1 1193 276 276 ALA N N 126.176 0.3 1 1194 277 277 GLN H H 8.72 0.03 1 1195 277 277 GLN C C 176.389 0.3 1 1196 277 277 GLN CA C 56.803 0.3 1 1197 277 277 GLN CB C 29.119 0.3 1 1198 277 277 GLN N N 116.24 0.3 1 1199 278 278 GLN H H 7.5 0.03 1 1200 278 278 GLN C C 172.487 0.3 1 1201 278 278 GLN CA C 55.202 0.3 1 1202 278 278 GLN CB C 30.869 0.3 1 1203 278 278 GLN N N 115.239 0.3 1 1204 279 279 THR H H 8.527 0.03 1 1205 279 279 THR C C 170.082 0.3 1 1206 279 279 THR CA C 60.542 0.3 1 1207 279 279 THR CB C 69.659 0.3 1 1208 279 279 THR N N 116.602 0.3 1 1209 280 280 ASP H H 7.942 0.03 1 1210 280 280 ASP C C 175.719 0.3 1 1211 280 280 ASP CA C 53.674 0.3 1 1212 280 280 ASP CB C 42.959 0.3 1 1213 280 280 ASP N N 123.635 0.3 1 1214 281 281 VAL H H 9.234 0.03 1 1215 281 281 VAL C C 173.429 0.3 1 1216 281 281 VAL CA C 62.952 0.3 1 1217 281 281 VAL CB C 31.141 0.3 1 1218 281 281 VAL N N 126.65 0.3 1 1219 282 282 ASN H H 8.394 0.03 1 1220 282 282 ASN C C 174.049 0.3 1 1221 282 282 ASN CA C 51.836 0.3 1 1222 282 282 ASN CB C 40.309 0.3 1 1223 282 282 ASN N N 127.995 0.3 1 1224 283 283 LEU H H 8.832 0.03 1 1225 283 283 LEU C C 172.675 0.3 1 1226 283 283 LEU CA C 51.002 0.3 1 1227 283 283 LEU CB C 44.559 0.3 1 1228 283 283 LEU N N 124.79 0.3 1 1229 284 284 PRO C C 177.639 0.3 1 1230 284 284 PRO CA C 62.311 0.3 1 1231 284 284 PRO CB C 32.738 0.3 1 1232 285 285 TYR H H 12.009 0.03 1 1233 285 285 TYR C C 176.846 0.3 1 1234 285 285 TYR CA C 59.068 0.3 1 1235 285 285 TYR CB C 34.659 0.3 1 1236 285 285 TYR N N 126.98 0.3 1 1237 286 286 ILE H H 7.965 0.03 1 1238 286 286 ILE C C 174.049 0.3 1 1239 286 286 ILE CA C 60.069 0.3 1 1240 286 286 ILE CB C 38.421 0.3 1 1241 286 286 ILE N N 120.958 0.3 1 1242 287 287 THR H H 7.365 0.03 1 1243 287 287 THR C C 171.679 0.3 1 1244 287 287 THR CA C 60.555 0.3 1 1245 287 287 THR CB C 67.509 0.3 1 1246 287 287 THR N N 112.865 0.3 1 1247 288 288 ALA H H 8.388 0.03 1 1248 288 288 ALA C C 175.601 0.3 1 1249 288 288 ALA CA C 52.38 0.3 1 1250 288 288 ALA CB C 22.199 0.3 1 1251 288 288 ALA N N 124.537 0.3 1 1252 289 289 ASP H H 8.025 0.03 1 1253 289 289 ASP C C 177.489 0.3 1 1254 289 289 ASP CA C 52.849 0.3 1 1255 289 289 ASP CB C 42.151 0.3 1 1256 289 289 ASP N N 122.724 0.3 1 1257 290 290 ALA C C 179.442 0.3 1 1258 290 290 ALA CA C 55.321 0.3 1 1259 290 290 ALA CB C 18.869 0.3 1 1260 291 291 THR H H 8.521 0.03 1 1261 291 291 THR C C 174.949 0.3 1 1262 291 291 THR CA C 62.668 0.3 1 1263 291 291 THR CB C 69.759 0.3 1 1264 291 291 THR N N 109.413 0.3 1 1265 292 292 GLY H H 7.764 0.03 1 1266 292 292 GLY C C 171.243 0.3 1 1267 292 292 GLY CA C 44.432 0.3 1 1268 292 292 GLY N N 111.788 0.3 1 1269 293 293 PRO C C 175.844 0.3 1 1270 293 293 PRO CA C 62.497 0.3 1 1271 294 294 LYS H H 8.125 0.03 1 1272 294 294 LYS C C 174.125 0.3 1 1273 294 294 LYS CA C 52.859 0.3 1 1274 294 294 LYS CB C 35.309 0.3 1 1275 294 294 LYS N N 119.022 0.3 1 1276 295 295 HIS H H 8.455 0.03 1 1277 295 295 HIS C C 174.949 0.3 1 1278 295 295 HIS CA C 54.35 0.3 1 1279 295 295 HIS CB C 33.751 0.3 1 1280 295 295 HIS N N 120.125 0.3 1 1281 296 296 MET H H 8.085 0.03 1 1282 296 296 MET C C 175.235 0.3 1 1283 296 296 MET CA C 54.789 0.3 1 1284 296 296 MET CB C 35.611 0.3 1 1285 296 296 MET N N 123.576 0.3 1 1286 297 297 ASN H H 9.294 0.03 1 1287 297 297 ASN C C 173.389 0.3 1 1288 297 297 ASN CA C 54.049 0.3 1 1289 297 297 ASN CB C 39.751 0.3 1 1290 297 297 ASN N N 129.809 0.3 1 1291 298 298 ILE H H 8.434 0.03 1 1292 298 298 ILE C C 173.785 0.3 1 1293 298 298 ILE CA C 60.74 0.3 1 1294 298 298 ILE CB C 42.921 0.3 1 1295 298 298 ILE N N 125.447 0.3 1 1296 299 299 LYS H H 8.529 0.03 1 1297 299 299 LYS C C 176.209 0.3 1 1298 299 299 LYS CA C 56.074 0.3 1 1299 299 299 LYS CB C 32.809 0.3 1 1300 299 299 LYS N N 130.142 0.3 1 1301 300 300 VAL H H 9.047 0.03 1 1302 300 300 VAL C C 175.324 0.3 1 1303 300 300 VAL CA C 61.552 0.3 1 1304 300 300 VAL CB C 34.341 0.3 1 1305 300 300 VAL N N 127.182 0.3 1 1306 301 301 THR H H 7.764 0.03 1 1307 301 301 THR C C 175.02 0.3 1 1308 301 301 THR CA C 59.929 0.3 1 1309 301 301 THR CB C 70.808 0.3 1 1310 301 301 THR N N 116.223 0.3 1 1311 302 302 ARG H H 8.745 0.03 1 1312 302 302 ARG C C 177.459 0.3 1 1313 302 302 ARG CA C 60.159 0.3 1 1314 302 302 ARG CB C 29.759 0.3 1 1315 302 302 ARG N N 123.847 0.3 1 1316 303 303 ALA H H 8.406 0.03 1 1317 303 303 ALA C C 180.589 0.3 1 1318 303 303 ALA CA C 55.279 0.3 1 1319 303 303 ALA CB C 17.949 0.3 1 1320 303 303 ALA N N 120.733 0.3 1 1321 304 304 LYS H H 7.97 0.03 1 1322 304 304 LYS C C 178.905 0.3 1 1323 304 304 LYS CA C 57.217 0.3 1 1324 304 304 LYS CB C 30.059 0.3 1 1325 304 304 LYS N N 120.906 0.3 1 1326 305 305 LEU H H 7.898 0.03 1 1327 305 305 LEU C C 177.992 0.3 1 1328 305 305 LEU CA C 58.929 0.3 1 1329 305 305 LEU CB C 41.675 0.3 1 1330 305 305 LEU N N 121.159 0.3 1 1331 306 306 GLU H H 8.762 0.03 1 1332 306 306 GLU C C 178.583 0.3 1 1333 306 306 GLU CA C 60.431 0.3 1 1334 306 306 GLU CB C 28.86 0.3 1 1335 306 306 GLU N N 116.973 0.3 1 1336 307 307 SER H H 7.664 0.03 1 1337 307 307 SER C C 178.44 0.3 1 1338 307 307 SER CA C 61.252 0.3 1 1339 307 307 SER CB C 62.956 0.3 1 1340 307 307 SER N N 113.539 0.3 1 1341 308 308 LEU C C 179.019 0.3 1 1342 308 308 LEU CA C 56.821 0.3 1 1343 309 309 VAL H H 7.307 0.03 1 1344 309 309 VAL C C 176.757 0.3 1 1345 309 309 VAL CA C 60.466 0.3 1 1346 309 309 VAL CB C 32.741 0.3 1 1347 309 309 VAL N N 106.439 0.3 1 1348 310 310 GLU H H 7.624 0.03 1 1349 310 310 GLU C C 176.986 0.3 1 1350 310 310 GLU CA C 60.965 0.3 1 1351 310 310 GLU CB C 29.369 0.3 1 1352 310 310 GLU N N 126.712 0.3 1 1353 311 311 ASP H H 8.69 0.03 1 1354 311 311 ASP C C 178.609 0.3 1 1355 311 311 ASP CA C 56.749 0.3 1 1356 311 311 ASP CB C 39.409 0.3 1 1357 311 311 ASP N N 115.019 0.3 1 1358 312 312 LEU H H 7.123 0.03 1 1359 312 312 LEU C C 178.019 0.3 1 1360 312 312 LEU CA C 57.419 0.3 1 1361 312 312 LEU CB C 41.701 0.3 1 1362 312 312 LEU N N 122.125 0.3 1 1363 313 313 VAL H H 7.224 0.03 1 1364 313 313 VAL C C 180.407 0.3 1 1365 313 313 VAL CA C 66.969 0.3 1 1366 313 313 VAL CB C 31.541 0.3 1 1367 313 313 VAL N N 117.601 0.3 1 1368 314 314 ASN H H 8.516 0.03 1 1369 314 314 ASN C C 178.648 0.3 1 1370 314 314 ASN CA C 56.15 0.3 1 1371 314 314 ASN CB C 37.059 0.3 1 1372 314 314 ASN N N 121.075 0.3 1 1373 315 315 ARG H H 7.831 0.03 1 1374 315 315 ARG C C 177.723 0.3 1 1375 315 315 ARG CA C 59.123 0.3 1 1376 315 315 ARG CB C 30.409 0.3 1 1377 315 315 ARG N N 122.904 0.3 1 1378 316 316 SER H H 7.328 0.03 1 1379 316 316 SER C C 172.189 0.3 1 1380 316 316 SER CA C 60.167 0.3 1 1381 316 316 SER CB C 62.594 0.3 1 1382 316 316 SER N N 114.705 0.3 1 1383 317 317 ILE H H 7.038 0.03 1 1384 317 317 ILE C C 178.046 0.3 1 1385 317 317 ILE CA C 60.843 0.3 1 1386 317 317 ILE CB C 35.981 0.3 1 1387 317 317 ILE N N 119.931 0.3 1 1388 318 318 GLU H H 7.361 0.03 1 1389 318 318 GLU C C 176.804 0.3 1 1390 318 318 GLU CA C 61.186 0.3 1 1391 318 318 GLU CB C 26.629 0.3 1 1392 318 318 GLU N N 119.372 0.3 1 1393 320 320 LEU C C 177.893 0.3 1 1394 320 320 LEU CA C 58.79 0.3 1 1395 321 321 LYS H H 7.544 0.03 1 1396 321 321 LYS C C 180.087 0.3 1 1397 321 321 LYS CA C 60.071 0.3 1 1398 321 321 LYS CB C 32.587 0.3 1 1399 321 321 LYS N N 117.794 0.3 1 1400 322 322 VAL H H 7.389 0.03 1 1401 322 322 VAL C C 177.089 0.3 1 1402 322 322 VAL CA C 66.484 0.3 1 1403 322 322 VAL CB C 32.311 0.3 1 1404 322 322 VAL N N 120.444 0.3 1 1405 323 323 ALA H H 8.094 0.03 1 1406 323 323 ALA C C 179.549 0.3 1 1407 323 323 ALA CA C 55.095 0.3 1 1408 323 323 ALA CB C 17.341 0.3 1 1409 323 323 ALA N N 122.586 0.3 1 1410 324 324 LEU H H 7.622 0.03 1 1411 324 324 LEU C C 178.683 0.3 1 1412 324 324 LEU CA C 58.832 0.3 1 1413 324 324 LEU CB C 40.843 0.3 1 1414 324 324 LEU N N 115.723 0.3 1 1415 325 325 GLN H H 7.662 0.03 1 1416 325 325 GLN C C 180.516 0.3 1 1417 325 325 GLN CA C 59.357 0.3 1 1418 325 325 GLN CB C 28.555 0.3 1 1419 325 325 GLN N N 119.403 0.3 1 1420 326 326 ASP C C 178.319 0.3 1 1421 326 326 ASP CA C 57.411 0.3 1 1422 327 327 ALA H H 7.863 0.03 1 1423 327 327 ALA C C 176.699 0.3 1 1424 327 327 ALA CA C 52.479 0.3 1 1425 327 327 ALA CB C 19.449 0.3 1 1426 327 327 ALA N N 120.4 0.3 1 1427 328 328 GLY H H 7.887 0.03 1 1428 328 328 GLY C C 174.607 0.3 1 1429 328 328 GLY CA C 45.97 0.3 1 1430 328 328 GLY N N 109.295 0.3 1 1431 329 329 LEU H H 7.913 0.03 1 1432 329 329 LEU C C 175.656 0.3 1 1433 329 329 LEU CA C 53.641 0.3 1 1434 329 329 LEU CB C 46.232 0.3 1 1435 329 329 LEU N N 119.413 0.3 1 1436 330 330 SER H H 9.178 0.03 1 1437 330 330 SER C C 176.349 0.3 1 1438 330 330 SER CA C 56.649 0.3 1 1439 330 330 SER CB C 65.959 0.3 1 1440 330 330 SER N N 116.747 0.3 1 1441 331 331 VAL H H 8.678 0.03 1 1442 331 331 VAL C C 178.219 0.3 1 1443 331 331 VAL CA C 66.903 0.3 1 1444 331 331 VAL CB C 31.741 0.3 1 1445 331 331 VAL N N 119.592 0.3 1 1446 332 332 SER H H 7.66 0.03 1 1447 332 332 SER C C 174.889 0.3 1 1448 332 332 SER CA C 60.15 0.3 1 1449 332 332 SER CB C 62.951 0.3 1 1450 332 332 SER N N 113.99 0.3 1 1451 333 333 ASP H H 7.701 0.03 1 1452 333 333 ASP C C 174.949 0.3 1 1453 333 333 ASP CA C 55.649 0.3 1 1454 333 333 ASP CB C 43.509 0.3 1 1455 333 333 ASP N N 120.305 0.3 1 1456 334 334 ILE H H 7.075 0.03 1 1457 334 334 ILE C C 175.099 0.3 1 1458 334 334 ILE CA C 58.538 0.3 1 1459 334 334 ILE CB C 35.779 0.3 1 1460 334 334 ILE N N 119.24 0.3 1 1461 335 335 ASP H H 8.926 0.03 1 1462 335 335 ASP C C 175.733 0.3 1 1463 335 335 ASP CA C 57.659 0.3 1 1464 335 335 ASP CB C 42.551 0.3 1 1465 335 335 ASP N N 128.378 0.3 1 1466 336 336 ASP H H 7.161 0.03 1 1467 336 336 ASP C C 173.048 0.3 1 1468 336 336 ASP CA C 53.603 0.3 1 1469 336 336 ASP CB C 46.416 0.3 1 1470 336 336 ASP N N 115.284 0.3 1 1471 337 337 VAL H H 8.735 0.03 1 1472 337 337 VAL C C 174.261 0.3 1 1473 337 337 VAL CA C 59.934 0.3 1 1474 337 337 VAL CB C 33.775 0.3 1 1475 337 337 VAL N N 122.045 0.3 1 1476 338 338 ILE H H 8.542 0.03 1 1477 338 338 ILE C C 173.949 0.3 1 1478 338 338 ILE CA C 59.217 0.3 1 1479 338 338 ILE N N 121.175 0.3 1 1480 339 339 LEU C C 175.656 0.3 1 1481 339 339 LEU CA C 54.055 0.3 1 1482 340 340 VAL H H 9.259 0.03 1 1483 340 340 VAL C C 172.26 0.3 1 1484 340 340 VAL CA C 61.302 0.3 1 1485 340 340 VAL CB C 35.894 0.3 1 1486 340 340 VAL N N 125.283 0.3 1 1487 341 341 GLY H H 7.077 0.03 1 1488 341 341 GLY C C 176.75 0.3 1 1489 341 341 GLY CA C 42.97 0.3 1 1490 341 341 GLY N N 110.303 0.3 1 1491 342 342 GLY H H 9.598 0.03 1 1492 342 342 GLY C C 173.445 0.3 1 1493 342 342 GLY CA C 47.589 0.3 1 1494 342 342 GLY N N 115.911 0.3 1 1495 343 343 GLN H H 6.718 0.03 1 1496 343 343 GLN C C 178.579 0.3 1 1497 343 343 GLN CA C 55.589 0.3 1 1498 343 343 GLN CB C 29.869 0.3 1 1499 343 343 GLN N N 116.116 0.3 1 1500 344 344 THR H H 7.54 0.03 1 1501 344 344 THR C C 173.821 0.3 1 1502 344 344 THR CA C 64.004 0.3 1 1503 344 344 THR CB C 69.359 0.3 1 1504 344 344 THR N N 109.492 0.3 1 1505 345 345 ARG H H 6.698 0.03 1 1506 345 345 ARG C C 176.157 0.3 1 1507 345 345 ARG CA C 57.56 0.3 1 1508 345 345 ARG CB C 30.659 0.3 1 1509 345 345 ARG N N 117.46 0.3 1 1510 346 346 MET H H 6.818 0.03 1 1511 346 346 MET C C 175.099 0.3 1 1512 346 346 MET CA C 54.59 0.3 1 1513 346 346 MET CB C 33.119 0.3 1 1514 346 346 MET N N 119.187 0.3 1 1515 347 347 PRO C C 178.904 0.3 1 1516 347 347 PRO CB C 31.701 0.3 1 1517 348 348 MET H H 9.293 0.03 1 1518 348 348 MET C C 178.495 0.3 1 1519 348 348 MET CA C 59.99 0.3 1 1520 348 348 MET CB C 33.37 0.3 1 1521 348 348 MET N N 117.548 0.3 1 1522 349 349 VAL H H 7.027 0.03 1 1523 349 349 VAL C C 176.452 0.3 1 1524 349 349 VAL CA C 66.804 0.3 1 1525 349 349 VAL CB C 31.741 0.3 1 1526 349 349 VAL N N 117.832 0.3 1 1527 350 350 GLN H H 7.063 0.03 1 1528 350 350 GLN C C 178.495 0.3 1 1529 350 350 GLN CA C 60.163 0.3 1 1530 350 350 GLN CB C 27.019 0.3 1 1531 350 350 GLN N N 116.677 0.3 1 1532 351 351 LYS H H 8.343 0.03 1 1533 351 351 LYS C C 178.833 0.3 1 1534 351 351 LYS CA C 58.959 0.3 1 1535 351 351 LYS CB C 32.757 0.3 1 1536 351 351 LYS N N 119.04 0.3 1 1537 352 352 LYS H H 7.99 0.03 1 1538 352 352 LYS C C 179.908 0.3 1 1539 352 352 LYS CA C 58.621 0.3 1 1540 352 352 LYS CB C 31.258 0.3 1 1541 352 352 LYS N N 120.199 0.3 1 1542 353 353 VAL C C 177.849 0.3 1 1543 353 353 VAL CA C 67.873 0.3 1 1544 354 354 ALA H H 8.068 0.03 1 1545 354 354 ALA C C 181.662 0.3 1 1546 354 354 ALA CA C 54.87 0.3 1 1547 354 354 ALA CB C 18.959 0.3 1 1548 354 354 ALA N N 122.986 0.3 1 1549 355 355 GLU H H 8.352 0.03 1 1550 355 355 GLU C C 178.636 0.3 1 1551 355 355 GLU CA C 59.033 0.3 1 1552 355 355 GLU CB C 30.094 0.3 1 1553 355 355 GLU N N 119.128 0.3 1 1554 356 356 PHE C C 177.025 0.3 1 1555 357 357 PHE H H 8.092 0.03 1 1556 357 357 PHE C C 176.386 0.3 1 1557 357 357 PHE CA C 60.89 0.3 1 1558 357 357 PHE CB C 39.425 0.3 1 1559 357 357 PHE N N 112.266 0.3 1 1560 358 358 GLY H H 8.189 0.03 1 1561 358 358 GLY C C 173.427 0.3 1 1562 358 358 GLY CA C 46.115 0.3 1 1563 358 358 GLY N N 109.896 0.3 1 1564 359 359 LYS H H 7.427 0.03 1 1565 359 359 LYS C C 173.713 0.3 1 1566 359 359 LYS CA C 54.491 0.3 1 1567 359 359 LYS CB C 34.648 0.3 1 1568 359 359 LYS N N 116.359 0.3 1 1569 361 361 PRO C C 176.041 0.3 1 1570 361 361 PRO CA C 61.741 0.3 1 1571 362 362 ARG H H 8.957 0.03 1 1572 362 362 ARG C C 176.039 0.3 1 1573 362 362 ARG CA C 56.419 0.3 1 1574 362 362 ARG CB C 30.759 0.3 1 1575 362 362 ARG N N 121.849 0.3 1 1576 363 363 LYS H H 8.546 0.03 1 1577 363 363 LYS C C 176.574 0.3 1 1578 363 363 LYS CA C 55.238 0.3 1 1579 363 363 LYS CB C 32.376 0.3 1 1580 363 363 LYS N N 118.254 0.3 1 1581 364 364 ASP H H 9.038 0.03 1 1582 364 364 ASP C C 175.7 0.3 1 1583 364 364 ASP CA C 55.644 0.3 1 1584 364 364 ASP CB C 40.318 0.3 1 1585 364 364 ASP N N 118.106 0.3 1 1586 365 365 VAL H H 6.946 0.03 1 1587 365 365 VAL C C 174.769 0.3 1 1588 365 365 VAL CA C 60.652 0.3 1 1589 365 365 VAL CB C 33.699 0.3 1 1590 365 365 VAL N N 118.627 0.3 1 1591 366 366 ASN H H 8.595 0.03 1 1592 366 366 ASN CA C 51.55 0.3 1 1593 366 366 ASN CB C 36.751 0.3 1 1594 366 366 ASN N N 126.882 0.3 1 1595 372 372 ALA C C 179.837 0.3 1 1596 372 372 ALA CA C 55.488 0.3 1 1597 372 372 ALA CB C 17.946 0.3 1 1598 373 373 ILE H H 7.994 0.03 1 1599 373 373 ILE C C 178.079 0.3 1 1600 373 373 ILE CA C 66.044 0.3 1 1601 373 373 ILE CB C 37.829 0.3 1 1602 373 373 ILE N N 116.697 0.3 1 1603 374 374 GLY H H 8.022 0.03 1 1604 374 374 GLY C C 175.557 0.3 1 1605 374 374 GLY CA C 47.189 0.3 1 1606 374 374 GLY N N 106.628 0.3 1 1607 375 375 ALA H H 7.87 0.03 1 1608 375 375 ALA C C 178.899 0.3 1 1609 375 375 ALA CA C 55.379 0.3 1 1610 375 375 ALA CB C 17.549 0.3 1 1611 375 375 ALA N N 123.785 0.3 1 1612 376 376 ALA H H 8.085 0.03 1 1613 376 376 ALA C C 180.445 0.3 1 1614 376 376 ALA CA C 55.08 0.3 1 1615 376 376 ALA CB C 17.349 0.3 1 1616 376 376 ALA N N 122.387 0.3 1 1617 377 377 VAL H H 8.591 0.03 1 1618 377 377 VAL C C 179.621 0.3 1 1619 377 377 VAL CA C 66.442 0.3 1 1620 377 377 VAL N N 122.794 0.3 1 1621 378 378 GLN H H 8.162 0.03 1 1622 378 378 GLN C C 179.012 0.3 1 1623 378 378 GLN CA C 58.136 0.3 1 1624 378 378 GLN CB C 27.956 0.3 1 1625 378 378 GLN N N 119.937 0.3 1 1626 379 379 GLY H H 8.283 0.03 1 1627 379 379 GLY C C 174.891 0.3 1 1628 379 379 GLY CA C 47.39 0.3 1 1629 379 379 GLY N N 107.864 0.3 1 1630 380 380 GLY H H 8.061 0.03 1 1631 380 380 GLY C C 175.694 0.3 1 1632 380 380 GLY CA C 46.462 0.3 1 1633 380 380 GLY N N 108.681 0.3 1 1634 381 381 VAL H H 7.479 0.03 1 1635 381 381 VAL C C 177.729 0.3 1 1636 381 381 VAL CA C 63.802 0.3 1 1637 381 381 VAL N N 118.539 0.3 1 1638 382 382 LEU H H 7.477 0.03 1 1639 382 382 LEU C C 177.669 0.3 1 1640 382 382 LEU CA C 55.919 0.3 1 1641 382 382 LEU CB C 41.759 0.3 1 1642 382 382 LEU N N 121.4 0.3 1 1643 383 383 THR H H 7.7 0.03 1 1644 383 383 THR C C 175.235 0.3 1 1645 383 383 THR CA C 62.929 0.3 1 1646 383 383 THR CB C 70.059 0.3 1 1647 383 383 THR N N 113.617 0.3 1 1648 384 384 GLY H H 8.08 0.03 1 1649 384 384 GLY C C 173.803 0.3 1 1650 384 384 GLY CA C 45.39 0.3 1 1651 384 384 GLY N N 111.199 0.3 1 1652 385 385 ASP H H 8.17 0.03 1 1653 385 385 ASP C C 176.023 0.3 1 1654 385 385 ASP CA C 54.55 0.3 1 1655 385 385 ASP CB C 41.409 0.3 1 1656 385 385 ASP N N 121.608 0.3 1 1657 386 386 VAL H H 7.917 0.03 1 1658 386 386 VAL C C 175.859 0.3 1 1659 386 386 VAL CA C 62.577 0.3 1 1660 386 386 VAL CB C 33.399 0.3 1 1661 386 386 VAL N N 121.386 0.3 1 1662 387 387 LYS H H 8.333 0.03 1 1663 387 387 LYS C C 175.239 0.3 1 1664 387 387 LYS CA C 56.132 0.3 1 1665 387 387 LYS CB C 33.351 0.3 1 1666 387 387 LYS N N 126.915 0.3 1 1667 388 388 ASP H H 7.863 0.03 1 1668 388 388 ASP C C 180.839 0.3 1 1669 388 388 ASP CA C 55.95 0.3 1 1670 388 388 ASP CB C 42.251 0.3 1 1671 388 388 ASP N N 128.06 0.3 1 stop_ save_