data_5987 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5987 _Entry.Title ; Interaction of the TAZ1 domain of CREB-binding protein with the activation domain of CITED2: Regulation by competition between intrinsically unstructured ligands for non-identical binding sites ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-10-28 _Entry.Accession_date 2003-10-28 _Entry.Last_release_date 2004-02-13 _Entry.Original_release_date 2004-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Roberto 'De Guzman' . N. . 5987 2 Maria Martinez-Yamout . . . 5987 3 'H. Jane' Dyson . . . 5987 4 Peter Wright . E. . 5987 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5987 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 923 5987 '13C chemical shifts' 481 5987 '15N chemical shifts' 145 5987 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 . . 2004-02-13 2003-10-28 original author . 5987 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5987 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14594809 _Citation.Full_citation . _Citation.Title ; Interaction of the TAZ1 domain of the CREB-binding protein with the activation domain of CITED2: Regulation by competition between intrinsically unstructured ligands for non-identical binding sites ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 279 _Citation.Journal_issue 4 _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 3042 _Citation.Page_last 3049 _Citation.Year 2004 _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 Roberto 'De Guzman' . N. . 5987 1 2 Maria Martinez-Yamout . . . 5987 1 3 'H. Jane' Dyson . . . 5987 1 4 Peter Wright . E. . 5987 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CBP 5987 1 TAZ1 5987 1 CITED2 5987 1 NMR 5987 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CBP_CITED2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CBP_CITED2 _Assembly.Entry_ID 5987 _Assembly.ID 1 _Assembly.Name 'CBP TAZ1 domain and CITED2 CAD' _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 'other bound and free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5987 1 stop_ 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 'CITED2 CAD' 1 $CITED2_CAD . . . native . . . . . 5987 1 2 'CBP TAZ1' 2 $CBP_TAZ1 . . . native . . . . . 5987 1 3 'ZINC (II) ION, 1' 3 $ZN . . . native . . . . . 5987 1 4 'ZINC (II) ION, 2' 3 $ZN . . . native . . . . . 5987 1 5 'ZINC (II) ION, 3' 3 $ZN . . . native . . . . . 5987 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 2 . 2 HIS 23 23 NE2 . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 5987 1 2 coordination single . 2 . 2 CYS 27 27 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 5987 1 3 coordination single . 2 . 2 CYS 40 40 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 5987 1 4 coordination single . 2 . 2 CYS 45 45 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 5987 1 5 coordination single . 2 . 2 HIS 54 54 NE2 . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 5987 1 6 coordination single . 2 . 2 CYS 58 58 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 5987 1 7 coordination single . 2 . 2 CYS 64 64 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 5987 1 8 coordination single . 2 . 2 CYS 69 69 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 5987 1 9 coordination single . 2 . 2 HIS 78 78 NE2 . 5 . 3 ZN 1 1 ZN . . . . . . . . . . 5987 1 10 coordination single . 2 . 2 CYS 82 82 SG . 5 . 3 ZN 1 1 ZN . . . . . . . . . . 5987 1 11 coordination single . 2 . 2 CYS 87 87 SG . 5 . 3 ZN 1 1 ZN . . . . . . . . . . 5987 1 12 coordination single . 2 . 2 CYS 90 90 SG . 5 . 3 ZN 1 1 ZN . . . . . . . . . . 5987 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1R8U . . . . . . 5987 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CBP TAZ1 domain and CITED2 CAD' system 5987 1 'CBP, CITED2' abbreviation 5987 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CITED2_CAD _Entity.Sf_category entity _Entity.Sf_framecode CITED2_CAD _Entity.Entry_ID 5987 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CITED2 C-terminal activation domain' _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 ; MTDFIDEEVLMSLVIEMGLD RIKELPELWLGQNEFDFMTD FVCKQQPSRVS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 51 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CITED2 C-terminal activation domain' common 5987 1 'CITED2 CAD' abbreviation 5987 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 1 219 MET . 5987 1 2 220 THR . 5987 1 3 221 ASP . 5987 1 4 222 PHE . 5987 1 5 223 ILE . 5987 1 6 224 ASP . 5987 1 7 225 GLU . 5987 1 8 226 GLU . 5987 1 9 227 VAL . 5987 1 10 228 LEU . 5987 1 11 229 MET . 5987 1 12 230 SER . 5987 1 13 231 LEU . 5987 1 14 232 VAL . 5987 1 15 233 ILE . 5987 1 16 234 GLU . 5987 1 17 235 MET . 5987 1 18 236 GLY . 5987 1 19 237 LEU . 5987 1 20 238 ASP . 5987 1 21 239 ARG . 5987 1 22 240 ILE . 5987 1 23 241 LYS . 5987 1 24 242 GLU . 5987 1 25 243 LEU . 5987 1 26 244 PRO . 5987 1 27 245 GLU . 5987 1 28 246 LEU . 5987 1 29 247 TRP . 5987 1 30 248 LEU . 5987 1 31 249 GLY . 5987 1 32 250 GLN . 5987 1 33 251 ASN . 5987 1 34 252 GLU . 5987 1 35 253 PHE . 5987 1 36 254 ASP . 5987 1 37 255 PHE . 5987 1 38 256 MET . 5987 1 39 257 THR . 5987 1 40 258 ASP . 5987 1 41 259 PHE . 5987 1 42 260 VAL . 5987 1 43 261 CYS . 5987 1 44 262 LYS . 5987 1 45 263 GLN . 5987 1 46 264 GLN . 5987 1 47 265 PRO . 5987 1 48 266 SER . 5987 1 49 267 ARG . 5987 1 50 268 VAL . 5987 1 51 269 SER . 5987 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 5987 1 . THR 2 2 5987 1 . ASP 3 3 5987 1 . PHE 4 4 5987 1 . ILE 5 5 5987 1 . ASP 6 6 5987 1 . GLU 7 7 5987 1 . GLU 8 8 5987 1 . VAL 9 9 5987 1 . LEU 10 10 5987 1 . MET 11 11 5987 1 . SER 12 12 5987 1 . LEU 13 13 5987 1 . VAL 14 14 5987 1 . ILE 15 15 5987 1 . GLU 16 16 5987 1 . MET 17 17 5987 1 . GLY 18 18 5987 1 . LEU 19 19 5987 1 . ASP 20 20 5987 1 . ARG 21 21 5987 1 . ILE 22 22 5987 1 . LYS 23 23 5987 1 . GLU 24 24 5987 1 . LEU 25 25 5987 1 . PRO 26 26 5987 1 . GLU 27 27 5987 1 . LEU 28 28 5987 1 . TRP 29 29 5987 1 . LEU 30 30 5987 1 . GLY 31 31 5987 1 . GLN 32 32 5987 1 . ASN 33 33 5987 1 . GLU 34 34 5987 1 . PHE 35 35 5987 1 . ASP 36 36 5987 1 . PHE 37 37 5987 1 . MET 38 38 5987 1 . THR 39 39 5987 1 . ASP 40 40 5987 1 . PHE 41 41 5987 1 . VAL 42 42 5987 1 . CYS 43 43 5987 1 . LYS 44 44 5987 1 . GLN 45 45 5987 1 . GLN 46 46 5987 1 . PRO 47 47 5987 1 . SER 48 48 5987 1 . ARG 49 49 5987 1 . VAL 50 50 5987 1 . SER 51 51 5987 1 stop_ save_ save_CBP_TAZ1 _Entity.Sf_category entity _Entity.Sf_framecode CBP_TAZ1 _Entity.Entry_ID 5987 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'CBP TAZ1 domain' _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 ; ATGPTADPEKRKLIQQQLVL LLHAHKCQRREQANGEVRAC SLPHCRTMKNVLNHMTHCQA GKACQVAHCASSRQIISHWK NCTRHDCPVCLPLKNASDKR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT P45481 . 'CREB-binding protein' . . . . . 100.00 2441 99.00 99.00 3.97e-47 . . . . 5987 2 . . SWISS-PROT Q92793 . 'CREB-binding protein' . . . . . 100.00 2442 100.00 100.00 4.00e-48 . . . . 5987 2 . . REF NP_596872 . 'CREB binding protein [Rattus norvegicus]' . . . . . 100.00 2442 100.00 100.00 3.56e-48 . . . . 5987 2 . . REF XP_001095225 . 'PREDICTED: CREB binding protein [Macaca mulatta]' . . . . . 100.00 2442 100.00 100.00 3.84e-48 . . . . 5987 2 . . REF NP_001073315 . 'CREB binding protein isoform b [Homo sapiens]' . . . . . 65.00 2404 100.00 100.00 4.53e-25 . . . . 5987 2 . . REF NP_004371 . 'CREB binding protein isoform a [Homo sapiens]' . . . . . 100.00 2442 100.00 100.00 4.00e-48 . . . . 5987 2 . . PRF 1923401A . 'protein CBP' . . . . . 100.00 2441 99.00 99.00 3.42e-47 . . . . 5987 2 . . REF NP_001020603 . 'CREB binding protein [Mus musculus]' . . . . . 100.00 2441 100.00 100.00 3.59e-48 . . . . 5987 2 . . GenBank AAC51770 . 'CREB-binding protein' . . . . . 100.00 2442 100.00 100.00 3.87e-48 . . . . 5987 2 . . GenBank AAH72594 . 'Crebbp protein [Mus musculus]' . . . . . 100.00 1589 100.00 100.00 1.46e-55 . . . . 5987 2 . . GenBank AAC08447 . 'CBP [Homo sapiens]' . . . . . 100.00 555 100.00 100.00 2.03e-55 . . . . 5987 2 . . GenBank AAC51331 . 'CREB-binding protein [Homo sapiens]' . . . . . 100.00 2442 100.00 100.00 4.00e-48 . . . . 5987 2 . . DBJ BAG65526 . 'unnamed protein product [Homo sapiens]' . . . . . 53.00 1198 100.00 100.00 5.63e-26 . . . . 5987 2 . . GenBank AAB28651 . 'CREB-binding protein; CBP [Mus sp.]' . . . . . 100.00 2441 99.00 99.00 3.97e-47 . . . . 5987 2 . . PDB 1U2N . 'Structure Cbp Taz1 Domain' . . . . . 99.00 100 98.99 98.99 8.48e-50 . . . . 5987 2 . . DBJ BAE06125 . 'CREBBP variant protein [Homo sapiens]' . . . . . 65.00 2472 100.00 100.00 4.00e-25 . . . . 5987 2 . . PDB 1L8C . 'Structural Basis For Hif-1alphaCBP RECOGNITION IN THE Cellular Hypoxic Response' . . . . . 94.00 95 100.00 100.00 1.53e-47 . . . . 5987 2 . . PDB 1R8U . 'Nmr Structure Of Cbp Taz1CITED2 COMPLEX' . . . . . 99.00 100 100.00 100.00 8.41e-51 . . . . 5987 2 . . BMRB 5327 . 'CREB-binding protein' . . . . . 95.00 95 100.00 100.00 4.04e-48 . . . . 5987 2 . . BMRB 6268 . 'CBP TAZ1 domain' . . . . . 100.00 100 100.00 100.00 2.00e-51 . . . . 5987 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CBP TAZ1 domain' common 5987 2 TAZ1 abbreviation 5987 2 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 1 340 ALA . 5987 2 2 341 THR . 5987 2 3 342 GLY . 5987 2 4 343 PRO . 5987 2 5 344 THR . 5987 2 6 345 ALA . 5987 2 7 346 ASP . 5987 2 8 347 PRO . 5987 2 9 348 GLU . 5987 2 10 349 LYS . 5987 2 11 350 ARG . 5987 2 12 351 LYS . 5987 2 13 352 LEU . 5987 2 14 353 ILE . 5987 2 15 354 GLN . 5987 2 16 355 GLN . 5987 2 17 356 GLN . 5987 2 18 357 LEU . 5987 2 19 358 VAL . 5987 2 20 359 LEU . 5987 2 21 360 LEU . 5987 2 22 361 LEU . 5987 2 23 362 HIS . 5987 2 24 363 ALA . 5987 2 25 364 HIS . 5987 2 26 365 LYS . 5987 2 27 366 CYS . 5987 2 28 367 GLN . 5987 2 29 368 ARG . 5987 2 30 369 ARG . 5987 2 31 370 GLU . 5987 2 32 371 GLN . 5987 2 33 372 ALA . 5987 2 34 373 ASN . 5987 2 35 374 GLY . 5987 2 36 375 GLU . 5987 2 37 376 VAL . 5987 2 38 377 ARG . 5987 2 39 378 ALA . 5987 2 40 379 CYS . 5987 2 41 380 SER . 5987 2 42 381 LEU . 5987 2 43 382 PRO . 5987 2 44 383 HIS . 5987 2 45 384 CYS . 5987 2 46 385 ARG . 5987 2 47 386 THR . 5987 2 48 387 MET . 5987 2 49 388 LYS . 5987 2 50 389 ASN . 5987 2 51 390 VAL . 5987 2 52 391 LEU . 5987 2 53 392 ASN . 5987 2 54 393 HIS . 5987 2 55 394 MET . 5987 2 56 395 THR . 5987 2 57 396 HIS . 5987 2 58 397 CYS . 5987 2 59 398 GLN . 5987 2 60 399 ALA . 5987 2 61 400 GLY . 5987 2 62 401 LYS . 5987 2 63 402 ALA . 5987 2 64 403 CYS . 5987 2 65 404 GLN . 5987 2 66 405 VAL . 5987 2 67 406 ALA . 5987 2 68 407 HIS . 5987 2 69 408 CYS . 5987 2 70 409 ALA . 5987 2 71 410 SER . 5987 2 72 411 SER . 5987 2 73 412 ARG . 5987 2 74 413 GLN . 5987 2 75 414 ILE . 5987 2 76 415 ILE . 5987 2 77 416 SER . 5987 2 78 417 HIS . 5987 2 79 418 TRP . 5987 2 80 419 LYS . 5987 2 81 420 ASN . 5987 2 82 421 CYS . 5987 2 83 422 THR . 5987 2 84 423 ARG . 5987 2 85 424 HIS . 5987 2 86 425 ASP . 5987 2 87 426 CYS . 5987 2 88 427 PRO . 5987 2 89 428 VAL . 5987 2 90 429 CYS . 5987 2 91 430 LEU . 5987 2 92 431 PRO . 5987 2 93 432 LEU . 5987 2 94 433 LYS . 5987 2 95 434 ASN . 5987 2 96 435 ALA . 5987 2 97 436 SER . 5987 2 98 437 ASP . 5987 2 99 438 LYS . 5987 2 100 439 ARG . 5987 2 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 . ALA 1 1 5987 2 . THR 2 2 5987 2 . GLY 3 3 5987 2 . PRO 4 4 5987 2 . THR 5 5 5987 2 . ALA 6 6 5987 2 . ASP 7 7 5987 2 . PRO 8 8 5987 2 . GLU 9 9 5987 2 . LYS 10 10 5987 2 . ARG 11 11 5987 2 . LYS 12 12 5987 2 . LEU 13 13 5987 2 . ILE 14 14 5987 2 . GLN 15 15 5987 2 . GLN 16 16 5987 2 . GLN 17 17 5987 2 . LEU 18 18 5987 2 . VAL 19 19 5987 2 . LEU 20 20 5987 2 . LEU 21 21 5987 2 . LEU 22 22 5987 2 . HIS 23 23 5987 2 . ALA 24 24 5987 2 . HIS 25 25 5987 2 . LYS 26 26 5987 2 . CYS 27 27 5987 2 . GLN 28 28 5987 2 . ARG 29 29 5987 2 . ARG 30 30 5987 2 . GLU 31 31 5987 2 . GLN 32 32 5987 2 . ALA 33 33 5987 2 . ASN 34 34 5987 2 . GLY 35 35 5987 2 . GLU 36 36 5987 2 . VAL 37 37 5987 2 . ARG 38 38 5987 2 . ALA 39 39 5987 2 . CYS 40 40 5987 2 . SER 41 41 5987 2 . LEU 42 42 5987 2 . PRO 43 43 5987 2 . HIS 44 44 5987 2 . CYS 45 45 5987 2 . ARG 46 46 5987 2 . THR 47 47 5987 2 . MET 48 48 5987 2 . LYS 49 49 5987 2 . ASN 50 50 5987 2 . VAL 51 51 5987 2 . LEU 52 52 5987 2 . ASN 53 53 5987 2 . HIS 54 54 5987 2 . MET 55 55 5987 2 . THR 56 56 5987 2 . HIS 57 57 5987 2 . CYS 58 58 5987 2 . GLN 59 59 5987 2 . ALA 60 60 5987 2 . GLY 61 61 5987 2 . LYS 62 62 5987 2 . ALA 63 63 5987 2 . CYS 64 64 5987 2 . GLN 65 65 5987 2 . VAL 66 66 5987 2 . ALA 67 67 5987 2 . HIS 68 68 5987 2 . CYS 69 69 5987 2 . ALA 70 70 5987 2 . SER 71 71 5987 2 . SER 72 72 5987 2 . ARG 73 73 5987 2 . GLN 74 74 5987 2 . ILE 75 75 5987 2 . ILE 76 76 5987 2 . SER 77 77 5987 2 . HIS 78 78 5987 2 . TRP 79 79 5987 2 . LYS 80 80 5987 2 . ASN 81 81 5987 2 . CYS 82 82 5987 2 . THR 83 83 5987 2 . ARG 84 84 5987 2 . HIS 85 85 5987 2 . ASP 86 86 5987 2 . CYS 87 87 5987 2 . PRO 88 88 5987 2 . VAL 89 89 5987 2 . CYS 90 90 5987 2 . LEU 91 91 5987 2 . PRO 92 92 5987 2 . LEU 93 93 5987 2 . LYS 94 94 5987 2 . ASN 95 95 5987 2 . ALA 96 96 5987 2 . SER 97 97 5987 2 . ASP 98 98 5987 2 . LYS 99 99 5987 2 . ARG 100 100 5987 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 5987 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 5987 3 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 5987 _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 $CITED2_CAD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5987 1 2 2 $CBP_TAZ1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 5987 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 5987 _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 $CITED2_CAD . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5987 1 2 2 $CBP_TAZ1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5987 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 5987 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 10:37:44 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Zn+2] SMILES ACDLabs 10.04 5987 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 5987 ZN [Zn++] SMILES CACTVS 3.341 5987 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5987 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 5987 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 5987 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 5987 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 5987 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5987 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5987 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5987 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'CITED2 C-terminal activation domain' '[U-13C; U-15N]' . . 1 $CITED2_CAD . . 0.5 0.5 0.5 mM . . . . 5987 1 2 'CBP TAZ1 domain' . . . 2 $CBP_TAZ1 . . 0.5 0.5 0.5 mM . . . . 5987 1 3 Tris-d11 . . . . . . . 10 . . mM . . . . 5987 1 4 NaN3 . . . . . . . 2 . . mM . . . . 5987 1 5 D2O . . . . . . . 10 . . % . . . . 5987 1 6 H2O . . . . . . . 90 . . % . . . . 5987 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5987 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'CITED2 C-terminal activation domain' . . . 1 $CITED2_CAD . . 0.5 . . mM . . . . 5987 2 2 'CBP TAZ1 domain' '[U-13C; U-15N]' . . 2 $CBP_TAZ1 . . 0.5 . . mM . . . . 5987 2 3 Tris-d11 . . . . . . . 10 . . mM . . . . 5987 2 4 NaN3 . . . . . . . 2 . . mM . . . . 5987 2 5 D2O . . . . . . . 10 . . % . . . . 5987 2 6 H2O . . . . . . . 90 . . % . . . . 5987 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5987 _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 pH 6.8 0.2 n/a 5987 1 temperature 298 1 K 5987 1 'ionic strength' 16 0.02 mM 5987 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5987 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5987 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5987 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5987 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5987 _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 NMR_spectrometer_1 BRUKER AVANCE . 900 . . . 5987 1 2 NMR_spectrometer_2 BRUKER AVANCE . 800 . . . 5987 1 3 NMR_spectrometer_3 BRUKER DRX . 600 . . . 5987 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 5987 _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 '3D HNCA' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5987 1 2 '3D CBCACONH' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5987 1 3 '3D HNCACB' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5987 1 4 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5987 1 5 '3D HCCH-COSY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5987 1 6 '3D 1H-15N NOESY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5987 1 7 '3D 1H-13C NOESY' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5987 1 8 '2D HSQC' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5987 1 9 '2D 1H-13C HMQC' . . . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5987 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5987 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5987 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D CBCACONH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5987 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5987 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5987 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HCCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5987 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5987 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 1H-13C NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5987 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5987 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '2D 1H-13C HMQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRPipe _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5987 _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 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5987 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5987 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5987 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5987 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5987 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 1 1 MET CA C 13 54.516 0.1 . 1 . . . . . . . . 5987 1 2 . 1 1 1 1 MET HA H 1 4.040 0.02 . 1 . . . . . . . . 5987 1 3 . 1 1 1 1 MET CB C 13 32.590 0.1 . 1 . . . . . . . . 5987 1 4 . 1 1 1 1 MET HB2 H 1 1.943 0.02 . 2 . . . . . . . . 5987 1 5 . 1 1 1 1 MET CG C 13 30.551 0.1 . 1 . . . . . . . . 5987 1 6 . 1 1 1 1 MET HG2 H 1 2.423 0.02 . 2 . . . . . . . . 5987 1 7 . 1 1 1 1 MET CE C 13 16.543 0.1 . 1 . . . . . . . . 5987 1 8 . 1 1 1 1 MET HE1 H 1 1.955 0.02 . 1 . . . . . . . . 5987 1 9 . 1 1 1 1 MET HE2 H 1 1.955 0.02 . 1 . . . . . . . . 5987 1 10 . 1 1 1 1 MET HE3 H 1 1.955 0.02 . 1 . . . . . . . . 5987 1 11 . 1 1 2 2 THR CA C 13 61.215 0.1 . 1 . . . . . . . . 5987 1 12 . 1 1 2 2 THR HA H 1 4.350 0.02 . 1 . . . . . . . . 5987 1 13 . 1 1 2 2 THR CB C 13 69.146 0.1 . 1 . . . . . . . . 5987 1 14 . 1 1 2 2 THR HB H 1 4.118 0.02 . 1 . . . . . . . . 5987 1 15 . 1 1 2 2 THR CG2 C 13 21.090 0.1 . 1 . . . . . . . . 5987 1 16 . 1 1 2 2 THR HG21 H 1 1.109 0.02 . 1 . . . . . . . . 5987 1 17 . 1 1 2 2 THR HG22 H 1 1.109 0.02 . 1 . . . . . . . . 5987 1 18 . 1 1 2 2 THR HG23 H 1 1.109 0.02 . 1 . . . . . . . . 5987 1 19 . 1 1 3 3 ASP CA C 13 53.871 0.1 . 1 . . . . . . . . 5987 1 20 . 1 1 3 3 ASP HA H 1 4.569 0.02 . 1 . . . . . . . . 5987 1 21 . 1 1 3 3 ASP CB C 13 40.772 0.1 . 1 . . . . . . . . 5987 1 22 . 1 1 3 3 ASP HB2 H 1 2.583 0.02 . 2 . . . . . . . . 5987 1 23 . 1 1 4 4 PHE N N 15 117.010 0.1 . 1 . . . . . . . . 5987 1 24 . 1 1 4 4 PHE H H 1 8.249 0.02 . 1 . . . . . . . . 5987 1 25 . 1 1 4 4 PHE CA C 13 57.647 0.1 . 1 . . . . . . . . 5987 1 26 . 1 1 4 4 PHE HA H 1 4.632 0.02 . 1 . . . . . . . . 5987 1 27 . 1 1 4 4 PHE CB C 13 39.247 0.1 . 1 . . . . . . . . 5987 1 28 . 1 1 4 4 PHE HB2 H 1 3.112 0.02 . 2 . . . . . . . . 5987 1 29 . 1 1 4 4 PHE CD1 C 13 130.549 0.1 . 2 . . . . . . . . 5987 1 30 . 1 1 4 4 PHE HD1 H 1 7.235 0.02 . 2 . . . . . . . . 5987 1 31 . 1 1 4 4 PHE CE1 C 13 130.338 0.1 . 2 . . . . . . . . 5987 1 32 . 1 1 4 4 PHE HE1 H 1 7.307 0.02 . 2 . . . . . . . . 5987 1 33 . 1 1 5 5 ILE N N 15 121.470 0.1 . 1 . . . . . . . . 5987 1 34 . 1 1 5 5 ILE H H 1 7.532 0.02 . 1 . . . . . . . . 5987 1 35 . 1 1 5 5 ILE CA C 13 59.769 0.1 . 1 . . . . . . . . 5987 1 36 . 1 1 5 5 ILE HA H 1 4.238 0.02 . 1 . . . . . . . . 5987 1 37 . 1 1 5 5 ILE CB C 13 39.145 0.1 . 1 . . . . . . . . 5987 1 38 . 1 1 5 5 ILE HB H 1 1.791 0.02 . 1 . . . . . . . . 5987 1 39 . 1 1 5 5 ILE CG1 C 13 27.461 0.1 . 2 . . . . . . . . 5987 1 40 . 1 1 5 5 ILE HG12 H 1 1.546 0.02 . 9 . . . . . . . . 5987 1 41 . 1 1 5 5 ILE HG13 H 1 1.227 0.02 . 9 . . . . . . . . 5987 1 42 . 1 1 5 5 ILE CD1 C 13 13.412 0.1 . 1 . . . . . . . . 5987 1 43 . 1 1 5 5 ILE HD11 H 1 0.875 0.02 . 1 . . . . . . . . 5987 1 44 . 1 1 5 5 ILE HD12 H 1 0.875 0.02 . 1 . . . . . . . . 5987 1 45 . 1 1 5 5 ILE HD13 H 1 0.875 0.02 . 1 . . . . . . . . 5987 1 46 . 1 1 5 5 ILE CG2 C 13 17.209 0.1 . 2 . . . . . . . . 5987 1 47 . 1 1 5 5 ILE HG21 H 1 0.876 0.02 . 1 . . . . . . . . 5987 1 48 . 1 1 5 5 ILE HG22 H 1 0.876 0.02 . 1 . . . . . . . . 5987 1 49 . 1 1 5 5 ILE HG23 H 1 0.876 0.02 . 1 . . . . . . . . 5987 1 50 . 1 1 6 6 ASP N N 15 127.108 0.1 . 1 . . . . . . . . 5987 1 51 . 1 1 6 6 ASP H H 1 8.586 0.02 . 1 . . . . . . . . 5987 1 52 . 1 1 6 6 ASP CA C 13 53.818 0.1 . 1 . . . . . . . . 5987 1 53 . 1 1 6 6 ASP HA H 1 4.526 0.02 . 1 . . . . . . . . 5987 1 54 . 1 1 6 6 ASP CB C 13 41.902 0.1 . 1 . . . . . . . . 5987 1 55 . 1 1 6 6 ASP HB2 H 1 2.804 0.02 . 2 . . . . . . . . 5987 1 56 . 1 1 6 6 ASP HB3 H 1 2.766 0.02 . 2 . . . . . . . . 5987 1 57 . 1 1 7 7 GLU N N 15 125.271 0.1 . 1 . . . . . . . . 5987 1 58 . 1 1 7 7 GLU H H 1 9.075 0.02 . 1 . . . . . . . . 5987 1 59 . 1 1 7 7 GLU CA C 13 59.485 0.1 . 1 . . . . . . . . 5987 1 60 . 1 1 7 7 GLU HA H 1 3.920 0.02 . 1 . . . . . . . . 5987 1 61 . 1 1 7 7 GLU CB C 13 29.604 0.1 . 1 . . . . . . . . 5987 1 62 . 1 1 7 7 GLU HB2 H 1 2.103 0.02 . 2 . . . . . . . . 5987 1 63 . 1 1 7 7 GLU CG C 13 36.352 0.1 . 1 . . . . . . . . 5987 1 64 . 1 1 7 7 GLU HG2 H 1 2.332 0.02 . 2 . . . . . . . . 5987 1 65 . 1 1 8 8 GLU N N 15 120.027 0.1 . 1 . . . . . . . . 5987 1 66 . 1 1 8 8 GLU H H 1 8.765 0.02 . 1 . . . . . . . . 5987 1 67 . 1 1 8 8 GLU CA C 13 58.880 0.1 . 1 . . . . . . . . 5987 1 68 . 1 1 8 8 GLU HA H 1 4.166 0.02 . 1 . . . . . . . . 5987 1 69 . 1 1 8 8 GLU CB C 13 28.510 0.1 . 1 . . . . . . . . 5987 1 70 . 1 1 8 8 GLU HB2 H 1 2.170 0.02 . 2 . . . . . . . . 5987 1 71 . 1 1 8 8 GLU HB3 H 1 2.118 0.02 . 2 . . . . . . . . 5987 1 72 . 1 1 8 8 GLU CG C 13 35.956 0.1 . 1 . . . . . . . . 5987 1 73 . 1 1 8 8 GLU HG2 H 1 2.392 0.02 . 2 . . . . . . . . 5987 1 74 . 1 1 8 8 GLU HG3 H 1 2.330 0.02 . 2 . . . . . . . . 5987 1 75 . 1 1 9 9 VAL N N 15 122.303 0.1 . 1 . . . . . . . . 5987 1 76 . 1 1 9 9 VAL H H 1 7.709 0.02 . 1 . . . . . . . . 5987 1 77 . 1 1 9 9 VAL CA C 13 65.179 0.1 . 1 . . . . . . . . 5987 1 78 . 1 1 9 9 VAL HA H 1 3.756 0.02 . 1 . . . . . . . . 5987 1 79 . 1 1 9 9 VAL CB C 13 31.419 0.1 . 1 . . . . . . . . 5987 1 80 . 1 1 9 9 VAL HB H 1 2.208 0.02 . 1 . . . . . . . . 5987 1 81 . 1 1 9 9 VAL CG2 C 13 22.334 0.1 . 2 . . . . . . . . 5987 1 82 . 1 1 9 9 VAL HG21 H 1 1.118 0.02 . 1 . . . . . . . . 5987 1 83 . 1 1 9 9 VAL HG22 H 1 1.118 0.02 . 1 . . . . . . . . 5987 1 84 . 1 1 9 9 VAL HG23 H 1 1.118 0.02 . 1 . . . . . . . . 5987 1 85 . 1 1 9 9 VAL CG1 C 13 20.829 0.1 . 2 . . . . . . . . 5987 1 86 . 1 1 9 9 VAL HG11 H 1 0.938 0.02 . 1 . . . . . . . . 5987 1 87 . 1 1 9 9 VAL HG12 H 1 0.938 0.02 . 1 . . . . . . . . 5987 1 88 . 1 1 9 9 VAL HG13 H 1 0.938 0.02 . 1 . . . . . . . . 5987 1 89 . 1 1 10 10 LEU N N 15 119.611 0.1 . 1 . . . . . . . . 5987 1 90 . 1 1 10 10 LEU H H 1 7.905 0.02 . 1 . . . . . . . . 5987 1 91 . 1 1 10 10 LEU CA C 13 57.572 0.1 . 1 . . . . . . . . 5987 1 92 . 1 1 10 10 LEU HA H 1 3.981 0.02 . 1 . . . . . . . . 5987 1 93 . 1 1 10 10 LEU CB C 13 41.404 0.1 . 1 . . . . . . . . 5987 1 94 . 1 1 10 10 LEU HB2 H 1 1.698 0.02 . 2 . . . . . . . . 5987 1 95 . 1 1 10 10 LEU HB3 H 1 1.644 0.02 . 2 . . . . . . . . 5987 1 96 . 1 1 10 10 LEU CG C 13 26.493 0.1 . 1 . . . . . . . . 5987 1 97 . 1 1 10 10 LEU HG H 1 1.673 0.02 . 1 . . . . . . . . 5987 1 98 . 1 1 10 10 LEU CD1 C 13 24.319 0.1 . 2 . . . . . . . . 5987 1 99 . 1 1 10 10 LEU HD11 H 1 0.817 0.02 . 1 . . . . . . . . 5987 1 100 . 1 1 10 10 LEU HD12 H 1 0.817 0.02 . 1 . . . . . . . . 5987 1 101 . 1 1 10 10 LEU HD13 H 1 0.817 0.02 . 1 . . . . . . . . 5987 1 102 . 1 1 11 11 MET N N 15 116.935 0.1 . 1 . . . . . . . . 5987 1 103 . 1 1 11 11 MET H H 1 8.154 0.02 . 1 . . . . . . . . 5987 1 104 . 1 1 11 11 MET CA C 13 57.155 0.1 . 1 . . . . . . . . 5987 1 105 . 1 1 11 11 MET HA H 1 4.253 0.02 . 1 . . . . . . . . 5987 1 106 . 1 1 11 11 MET CB C 13 30.816 0.1 . 1 . . . . . . . . 5987 1 107 . 1 1 11 11 MET HB2 H 1 2.200 0.02 . 2 . . . . . . . . 5987 1 108 . 1 1 11 11 MET CG C 13 31.931 0.1 . 1 . . . . . . . . 5987 1 109 . 1 1 11 11 MET HG2 H 1 2.731 0.02 . 2 . . . . . . . . 5987 1 110 . 1 1 11 11 MET CE C 13 16.379 0.1 . 1 . . . . . . . . 5987 1 111 . 1 1 11 11 MET HE1 H 1 2.072 0.02 . 1 . . . . . . . . 5987 1 112 . 1 1 11 11 MET HE2 H 1 2.072 0.02 . 1 . . . . . . . . 5987 1 113 . 1 1 11 11 MET HE3 H 1 2.072 0.02 . 1 . . . . . . . . 5987 1 114 . 1 1 12 12 SER N N 15 114.901 0.1 . 1 . . . . . . . . 5987 1 115 . 1 1 12 12 SER H H 1 7.929 0.02 . 1 . . . . . . . . 5987 1 116 . 1 1 12 12 SER CA C 13 61.366 0.1 . 1 . . . . . . . . 5987 1 117 . 1 1 12 12 SER HA H 1 4.233 0.02 . 1 . . . . . . . . 5987 1 118 . 1 1 12 12 SER CB C 13 62.045 0.1 . 1 . . . . . . . . 5987 1 119 . 1 1 12 12 SER HB2 H 1 4.063 0.02 . 2 . . . . . . . . 5987 1 120 . 1 1 13 13 LEU N N 15 123.911 0.1 . 1 . . . . . . . . 5987 1 121 . 1 1 13 13 LEU H H 1 7.888 0.02 . 1 . . . . . . . . 5987 1 122 . 1 1 13 13 LEU CA C 13 57.362 0.1 . 1 . . . . . . . . 5987 1 123 . 1 1 13 13 LEU HA H 1 4.170 0.02 . 1 . . . . . . . . 5987 1 124 . 1 1 13 13 LEU CB C 13 41.967 0.1 . 1 . . . . . . . . 5987 1 125 . 1 1 13 13 LEU HB2 H 1 2.024 0.02 . 2 . . . . . . . . 5987 1 126 . 1 1 13 13 LEU HB3 H 1 1.487 0.02 . 2 . . . . . . . . 5987 1 127 . 1 1 13 13 LEU CG C 13 26.561 0.1 . 1 . . . . . . . . 5987 1 128 . 1 1 13 13 LEU HG H 1 1.805 0.02 . 1 . . . . . . . . 5987 1 129 . 1 1 13 13 LEU CD1 C 13 23.291 0.1 . 2 . . . . . . . . 5987 1 130 . 1 1 13 13 LEU HD11 H 1 0.827 0.02 . 1 . . . . . . . . 5987 1 131 . 1 1 13 13 LEU HD12 H 1 0.827 0.02 . 1 . . . . . . . . 5987 1 132 . 1 1 13 13 LEU HD13 H 1 0.827 0.02 . 1 . . . . . . . . 5987 1 133 . 1 1 13 13 LEU CD2 C 13 25.679 0.1 . 2 . . . . . . . . 5987 1 134 . 1 1 13 13 LEU HD21 H 1 0.823 0.02 . 1 . . . . . . . . 5987 1 135 . 1 1 13 13 LEU HD22 H 1 0.823 0.02 . 1 . . . . . . . . 5987 1 136 . 1 1 13 13 LEU HD23 H 1 0.823 0.02 . 1 . . . . . . . . 5987 1 137 . 1 1 14 14 VAL N N 15 120.053 0.1 . 1 . . . . . . . . 5987 1 138 . 1 1 14 14 VAL H H 1 8.187 0.02 . 1 . . . . . . . . 5987 1 139 . 1 1 14 14 VAL CA C 13 66.375 0.1 . 1 . . . . . . . . 5987 1 140 . 1 1 14 14 VAL HA H 1 3.415 0.02 . 1 . . . . . . . . 5987 1 141 . 1 1 14 14 VAL CB C 13 31.154 0.1 . 1 . . . . . . . . 5987 1 142 . 1 1 14 14 VAL HB H 1 2.477 0.02 . 1 . . . . . . . . 5987 1 143 . 1 1 14 14 VAL CG2 C 13 22.397 0.1 . 2 . . . . . . . . 5987 1 144 . 1 1 14 14 VAL HG21 H 1 0.888 0.02 . 1 . . . . . . . . 5987 1 145 . 1 1 14 14 VAL HG22 H 1 0.888 0.02 . 1 . . . . . . . . 5987 1 146 . 1 1 14 14 VAL HG23 H 1 0.888 0.02 . 1 . . . . . . . . 5987 1 147 . 1 1 14 14 VAL CG1 C 13 21.771 0.1 . 2 . . . . . . . . 5987 1 148 . 1 1 14 14 VAL HG11 H 1 0.778 0.02 . 1 . . . . . . . . 5987 1 149 . 1 1 14 14 VAL HG12 H 1 0.778 0.02 . 1 . . . . . . . . 5987 1 150 . 1 1 14 14 VAL HG13 H 1 0.778 0.02 . 1 . . . . . . . . 5987 1 151 . 1 1 15 15 ILE N N 15 118.188 0.1 . 1 . . . . . . . . 5987 1 152 . 1 1 15 15 ILE H H 1 7.630 0.02 . 1 . . . . . . . . 5987 1 153 . 1 1 15 15 ILE CA C 13 63.094 0.1 . 1 . . . . . . . . 5987 1 154 . 1 1 15 15 ILE HA H 1 3.795 0.02 . 1 . . . . . . . . 5987 1 155 . 1 1 15 15 ILE CB C 13 37.271 0.1 . 1 . . . . . . . . 5987 1 156 . 1 1 15 15 ILE HB H 1 1.961 0.02 . 1 . . . . . . . . 5987 1 157 . 1 1 15 15 ILE CG1 C 13 27.983 0.1 . 2 . . . . . . . . 5987 1 158 . 1 1 15 15 ILE HG12 H 1 1.602 0.02 . 9 . . . . . . . . 5987 1 159 . 1 1 15 15 ILE HG13 H 1 1.291 0.02 . 9 . . . . . . . . 5987 1 160 . 1 1 15 15 ILE CD1 C 13 11.508 0.1 . 1 . . . . . . . . 5987 1 161 . 1 1 15 15 ILE HD11 H 1 0.787 0.02 . 1 . . . . . . . . 5987 1 162 . 1 1 15 15 ILE HD12 H 1 0.787 0.02 . 1 . . . . . . . . 5987 1 163 . 1 1 15 15 ILE HD13 H 1 0.787 0.02 . 1 . . . . . . . . 5987 1 164 . 1 1 15 15 ILE CG2 C 13 16.738 0.1 . 2 . . . . . . . . 5987 1 165 . 1 1 15 15 ILE HG21 H 1 0.928 0.02 . 1 . . . . . . . . 5987 1 166 . 1 1 15 15 ILE HG22 H 1 0.928 0.02 . 1 . . . . . . . . 5987 1 167 . 1 1 15 15 ILE HG23 H 1 0.928 0.02 . 1 . . . . . . . . 5987 1 168 . 1 1 16 16 GLU N N 15 124.057 0.1 . 1 . . . . . . . . 5987 1 169 . 1 1 16 16 GLU H H 1 8.656 0.02 . 1 . . . . . . . . 5987 1 170 . 1 1 16 16 GLU CA C 13 59.091 0.1 . 1 . . . . . . . . 5987 1 171 . 1 1 16 16 GLU HA H 1 4.030 0.02 . 1 . . . . . . . . 5987 1 172 . 1 1 16 16 GLU CB C 13 29.350 0.1 . 1 . . . . . . . . 5987 1 173 . 1 1 16 16 GLU HB2 H 1 2.232 0.02 . 2 . . . . . . . . 5987 1 174 . 1 1 16 16 GLU HB3 H 1 2.130 0.02 . 2 . . . . . . . . 5987 1 175 . 1 1 16 16 GLU CG C 13 35.194 0.1 . 1 . . . . . . . . 5987 1 176 . 1 1 16 16 GLU HG2 H 1 2.405 0.02 . 2 . . . . . . . . 5987 1 177 . 1 1 16 16 GLU HG3 H 1 2.293 0.02 . 2 . . . . . . . . 5987 1 178 . 1 1 17 17 MET N N 15 114.125 0.1 . 1 . . . . . . . . 5987 1 179 . 1 1 17 17 MET H H 1 8.410 0.02 . 1 . . . . . . . . 5987 1 180 . 1 1 17 17 MET CA C 13 55.904 0.1 . 1 . . . . . . . . 5987 1 181 . 1 1 17 17 MET HA H 1 4.350 0.02 . 1 . . . . . . . . 5987 1 182 . 1 1 17 17 MET CB C 13 33.042 0.1 . 1 . . . . . . . . 5987 1 183 . 1 1 17 17 MET HB2 H 1 2.004 0.02 . 2 . . . . . . . . 5987 1 184 . 1 1 17 17 MET HB3 H 1 2.214 0.02 . 2 . . . . . . . . 5987 1 185 . 1 1 17 17 MET CG C 13 33.501 0.1 . 1 . . . . . . . . 5987 1 186 . 1 1 17 17 MET HG2 H 1 2.815 0.02 . 2 . . . . . . . . 5987 1 187 . 1 1 17 17 MET HG3 H 1 2.586 0.02 . 2 . . . . . . . . 5987 1 188 . 1 1 17 17 MET CE C 13 17.609 0.1 . 1 . . . . . . . . 5987 1 189 . 1 1 17 17 MET HE1 H 1 1.996 0.02 . 1 . . . . . . . . 5987 1 190 . 1 1 17 17 MET HE2 H 1 1.996 0.02 . 1 . . . . . . . . 5987 1 191 . 1 1 17 17 MET HE3 H 1 1.996 0.02 . 1 . . . . . . . . 5987 1 192 . 1 1 18 18 GLY N N 15 107.654 0.1 . 1 . . . . . . . . 5987 1 193 . 1 1 18 18 GLY H H 1 7.911 0.02 . 1 . . . . . . . . 5987 1 194 . 1 1 18 18 GLY CA C 13 45.759 0.1 . 1 . . . . . . . . 5987 1 195 . 1 1 18 18 GLY HA3 H 1 3.996 0.02 . 2 . . . . . . . . 5987 1 196 . 1 1 18 18 GLY HA2 H 1 4.135 0.02 . 2 . . . . . . . . 5987 1 197 . 1 1 19 19 LEU N N 15 119.039 0.1 . 1 . . . . . . . . 5987 1 198 . 1 1 19 19 LEU H H 1 8.322 0.02 . 1 . . . . . . . . 5987 1 199 . 1 1 19 19 LEU CA C 13 56.194 0.1 . 1 . . . . . . . . 5987 1 200 . 1 1 19 19 LEU HA H 1 4.078 0.02 . 1 . . . . . . . . 5987 1 201 . 1 1 19 19 LEU CB C 13 41.192 0.1 . 1 . . . . . . . . 5987 1 202 . 1 1 19 19 LEU HB2 H 1 1.569 0.02 . 2 . . . . . . . . 5987 1 203 . 1 1 19 19 LEU HB3 H 1 1.849 0.02 . 2 . . . . . . . . 5987 1 204 . 1 1 19 19 LEU CD1 C 13 22.880 0.1 . 2 . . . . . . . . 5987 1 205 . 1 1 19 19 LEU HD11 H 1 0.836 0.02 . 1 . . . . . . . . 5987 1 206 . 1 1 19 19 LEU HD12 H 1 0.836 0.02 . 1 . . . . . . . . 5987 1 207 . 1 1 19 19 LEU HD13 H 1 0.836 0.02 . 1 . . . . . . . . 5987 1 208 . 1 1 19 19 LEU CD2 C 13 25.552 0.1 . 2 . . . . . . . . 5987 1 209 . 1 1 19 19 LEU HD21 H 1 0.955 0.02 . 1 . . . . . . . . 5987 1 210 . 1 1 19 19 LEU HD22 H 1 0.955 0.02 . 1 . . . . . . . . 5987 1 211 . 1 1 19 19 LEU HD23 H 1 0.955 0.02 . 1 . . . . . . . . 5987 1 212 . 1 1 20 20 ASP N N 15 114.357 0.1 . 1 . . . . . . . . 5987 1 213 . 1 1 20 20 ASP H H 1 9.257 0.02 . 1 . . . . . . . . 5987 1 214 . 1 1 20 20 ASP CA C 13 54.100 0.1 . 1 . . . . . . . . 5987 1 215 . 1 1 20 20 ASP HA H 1 4.204 0.02 . 1 . . . . . . . . 5987 1 216 . 1 1 20 20 ASP CB C 13 38.595 0.1 . 1 . . . . . . . . 5987 1 217 . 1 1 20 20 ASP HB2 H 1 2.669 0.02 . 2 . . . . . . . . 5987 1 218 . 1 1 20 20 ASP HB3 H 1 2.266 0.02 . 2 . . . . . . . . 5987 1 219 . 1 1 21 21 ARG N N 15 117.358 0.1 . 1 . . . . . . . . 5987 1 220 . 1 1 21 21 ARG H H 1 7.385 0.02 . 1 . . . . . . . . 5987 1 221 . 1 1 21 21 ARG CA C 13 54.771 0.1 . 1 . . . . . . . . 5987 1 222 . 1 1 21 21 ARG HA H 1 4.446 0.02 . 1 . . . . . . . . 5987 1 223 . 1 1 21 21 ARG CB C 13 31.117 0.1 . 1 . . . . . . . . 5987 1 224 . 1 1 21 21 ARG HB2 H 1 1.966 0.02 . 2 . . . . . . . . 5987 1 225 . 1 1 21 21 ARG HB3 H 1 1.697 0.02 . 2 . . . . . . . . 5987 1 226 . 1 1 21 21 ARG CG C 13 26.600 0.1 . 1 . . . . . . . . 5987 1 227 . 1 1 21 21 ARG HG2 H 1 1.554 0.02 . 2 . . . . . . . . 5987 1 228 . 1 1 21 21 ARG CD C 13 42.737 0.1 . 1 . . . . . . . . 5987 1 229 . 1 1 21 21 ARG HD2 H 1 3.147 0.02 . 2 . . . . . . . . 5987 1 230 . 1 1 22 22 ILE N N 15 119.611 0.1 . 1 . . . . . . . . 5987 1 231 . 1 1 22 22 ILE H H 1 7.166 0.02 . 1 . . . . . . . . 5987 1 232 . 1 1 22 22 ILE CA C 13 61.375 0.1 . 1 . . . . . . . . 5987 1 233 . 1 1 22 22 ILE HA H 1 4.074 0.02 . 1 . . . . . . . . 5987 1 234 . 1 1 22 22 ILE CB C 13 38.258 0.1 . 1 . . . . . . . . 5987 1 235 . 1 1 22 22 ILE HB H 1 1.848 0.02 . 1 . . . . . . . . 5987 1 236 . 1 1 22 22 ILE CG1 C 13 26.986 0.1 . 2 . . . . . . . . 5987 1 237 . 1 1 22 22 ILE HG12 H 1 1.626 0.02 . 9 . . . . . . . . 5987 1 238 . 1 1 22 22 ILE HG13 H 1 1.178 0.02 . 9 . . . . . . . . 5987 1 239 . 1 1 22 22 ILE CD1 C 13 13.181 0.1 . 1 . . . . . . . . 5987 1 240 . 1 1 22 22 ILE HD11 H 1 0.811 0.02 . 1 . . . . . . . . 5987 1 241 . 1 1 22 22 ILE HD12 H 1 0.811 0.02 . 1 . . . . . . . . 5987 1 242 . 1 1 22 22 ILE HD13 H 1 0.811 0.02 . 1 . . . . . . . . 5987 1 243 . 1 1 22 22 ILE CG2 C 13 17.182 0.1 . 2 . . . . . . . . 5987 1 244 . 1 1 22 22 ILE HG21 H 1 0.884 0.02 . 1 . . . . . . . . 5987 1 245 . 1 1 22 22 ILE HG22 H 1 0.884 0.02 . 1 . . . . . . . . 5987 1 246 . 1 1 22 22 ILE HG23 H 1 0.884 0.02 . 1 . . . . . . . . 5987 1 247 . 1 1 23 23 LYS N N 15 118.393 0.1 . 1 . . . . . . . . 5987 1 248 . 1 1 23 23 LYS H H 1 7.793 0.02 . 1 . . . . . . . . 5987 1 249 . 1 1 23 23 LYS CA C 13 57.119 0.1 . 1 . . . . . . . . 5987 1 250 . 1 1 23 23 LYS HA H 1 4.314 0.02 . 1 . . . . . . . . 5987 1 251 . 1 1 23 23 LYS CB C 13 32.774 0.1 . 1 . . . . . . . . 5987 1 252 . 1 1 23 23 LYS HB2 H 1 1.933 0.02 . 2 . . . . . . . . 5987 1 253 . 1 1 23 23 LYS HB3 H 1 1.851 0.02 . 2 . . . . . . . . 5987 1 254 . 1 1 23 23 LYS CG C 13 24.521 0.1 . 1 . . . . . . . . 5987 1 255 . 1 1 23 23 LYS HG2 H 1 1.524 0.02 . 2 . . . . . . . . 5987 1 256 . 1 1 23 23 LYS HG3 H 1 1.445 0.02 . 2 . . . . . . . . 5987 1 257 . 1 1 23 23 LYS CD C 13 28.445 0.1 . 1 . . . . . . . . 5987 1 258 . 1 1 23 23 LYS HD2 H 1 1.698 0.02 . 2 . . . . . . . . 5987 1 259 . 1 1 23 23 LYS CE C 13 41.427 0.1 . 1 . . . . . . . . 5987 1 260 . 1 1 23 23 LYS HE2 H 1 3.009 0.02 . 2 . . . . . . . . 5987 1 261 . 1 1 24 24 GLU N N 15 121.781 0.1 . 1 . . . . . . . . 5987 1 262 . 1 1 24 24 GLU H H 1 8.351 0.02 . 1 . . . . . . . . 5987 1 263 . 1 1 24 24 GLU CA C 13 54.408 0.1 . 1 . . . . . . . . 5987 1 264 . 1 1 24 24 GLU HA H 1 4.481 0.02 . 1 . . . . . . . . 5987 1 265 . 1 1 24 24 GLU CB C 13 31.152 0.1 . 1 . . . . . . . . 5987 1 266 . 1 1 24 24 GLU HB2 H 1 1.848 0.02 . 2 . . . . . . . . 5987 1 267 . 1 1 24 24 GLU HB3 H 1 1.915 0.02 . 2 . . . . . . . . 5987 1 268 . 1 1 24 24 GLU CG C 13 35.265 0.1 . 1 . . . . . . . . 5987 1 269 . 1 1 24 24 GLU HG2 H 1 2.152 0.02 . 2 . . . . . . . . 5987 1 270 . 1 1 25 25 LEU N N 15 126.436 0.1 . 1 . . . . . . . . 5987 1 271 . 1 1 25 25 LEU H H 1 8.402 0.02 . 1 . . . . . . . . 5987 1 272 . 1 1 25 25 LEU CA C 13 51.009 0.1 . 1 . . . . . . . . 5987 1 273 . 1 1 25 25 LEU HA H 1 4.368 0.02 . 1 . . . . . . . . 5987 1 274 . 1 1 25 25 LEU CB C 13 41.535 0.1 . 1 . . . . . . . . 5987 1 275 . 1 1 25 25 LEU HB2 H 1 1.316 0.02 . 2 . . . . . . . . 5987 1 276 . 1 1 25 25 LEU HB3 H 1 0.479 0.02 . 2 . . . . . . . . 5987 1 277 . 1 1 25 25 LEU CG C 13 25.861 0.1 . 1 . . . . . . . . 5987 1 278 . 1 1 25 25 LEU HG H 1 1.046 0.02 . 1 . . . . . . . . 5987 1 279 . 1 1 25 25 LEU CD1 C 13 24.063 0.1 . 2 . . . . . . . . 5987 1 280 . 1 1 25 25 LEU HD11 H 1 0.476 0.02 . 1 . . . . . . . . 5987 1 281 . 1 1 25 25 LEU HD12 H 1 0.476 0.02 . 1 . . . . . . . . 5987 1 282 . 1 1 25 25 LEU HD13 H 1 0.476 0.02 . 1 . . . . . . . . 5987 1 283 . 1 1 25 25 LEU CD2 C 13 24.273 0.1 . 2 . . . . . . . . 5987 1 284 . 1 1 25 25 LEU HD21 H 1 0.243 0.02 . 1 . . . . . . . . 5987 1 285 . 1 1 25 25 LEU HD22 H 1 0.243 0.02 . 1 . . . . . . . . 5987 1 286 . 1 1 25 25 LEU HD23 H 1 0.243 0.02 . 1 . . . . . . . . 5987 1 287 . 1 1 26 26 PRO CA C 13 62.179 0.1 . 1 . . . . . . . . 5987 1 288 . 1 1 26 26 PRO HA H 1 4.354 0.02 . 1 . . . . . . . . 5987 1 289 . 1 1 26 26 PRO CB C 13 31.616 0.1 . 1 . . . . . . . . 5987 1 290 . 1 1 26 26 PRO HB2 H 1 2.213 0.02 . 2 . . . . . . . . 5987 1 291 . 1 1 26 26 PRO HB3 H 1 1.690 0.02 . 2 . . . . . . . . 5987 1 292 . 1 1 26 26 PRO CG C 13 27.332 0.1 . 1 . . . . . . . . 5987 1 293 . 1 1 26 26 PRO HG2 H 1 2.009 0.02 . 2 . . . . . . . . 5987 1 294 . 1 1 26 26 PRO CD C 13 50.265 0.1 . 1 . . . . . . . . 5987 1 295 . 1 1 26 26 PRO HD2 H 1 3.871 0.02 . 2 . . . . . . . . 5987 1 296 . 1 1 26 26 PRO HD3 H 1 3.486 0.02 . 2 . . . . . . . . 5987 1 297 . 1 1 27 27 GLU N N 15 121.643 0.1 . 1 . . . . . . . . 5987 1 298 . 1 1 27 27 GLU H H 1 8.392 0.02 . 1 . . . . . . . . 5987 1 299 . 1 1 27 27 GLU CA C 13 54.913 0.1 . 1 . . . . . . . . 5987 1 300 . 1 1 27 27 GLU HA H 1 4.249 0.02 . 1 . . . . . . . . 5987 1 301 . 1 1 27 27 GLU CG C 13 36.005 0.1 . 1 . . . . . . . . 5987 1 302 . 1 1 27 27 GLU HG2 H 1 2.098 0.02 . 2 . . . . . . . . 5987 1 303 . 1 1 28 28 LEU N N 15 125.900 0.1 . 1 . . . . . . . . 5987 1 304 . 1 1 28 28 LEU H H 1 9.295 0.02 . 1 . . . . . . . . 5987 1 305 . 1 1 28 28 LEU CA C 13 53.390 0.1 . 1 . . . . . . . . 5987 1 306 . 1 1 28 28 LEU HA H 1 4.481 0.02 . 1 . . . . . . . . 5987 1 307 . 1 1 28 28 LEU CB C 13 42.819 0.1 . 1 . . . . . . . . 5987 1 308 . 1 1 28 28 LEU HB2 H 1 1.537 0.02 . 2 . . . . . . . . 5987 1 309 . 1 1 28 28 LEU HB3 H 1 1.115 0.02 . 2 . . . . . . . . 5987 1 310 . 1 1 28 28 LEU CG C 13 26.559 0.1 . 1 . . . . . . . . 5987 1 311 . 1 1 28 28 LEU HG H 1 1.661 0.02 . 1 . . . . . . . . 5987 1 312 . 1 1 28 28 LEU CD1 C 13 22.917 0.1 . 2 . . . . . . . . 5987 1 313 . 1 1 28 28 LEU HD11 H 1 0.705 0.02 . 1 . . . . . . . . 5987 1 314 . 1 1 28 28 LEU HD12 H 1 0.705 0.02 . 1 . . . . . . . . 5987 1 315 . 1 1 28 28 LEU HD13 H 1 0.705 0.02 . 1 . . . . . . . . 5987 1 316 . 1 1 28 28 LEU CD2 C 13 25.315 0.1 . 2 . . . . . . . . 5987 1 317 . 1 1 28 28 LEU HD21 H 1 0.663 0.02 . 1 . . . . . . . . 5987 1 318 . 1 1 28 28 LEU HD22 H 1 0.663 0.02 . 1 . . . . . . . . 5987 1 319 . 1 1 28 28 LEU HD23 H 1 0.663 0.02 . 1 . . . . . . . . 5987 1 320 . 1 1 29 29 TRP N N 15 124.387 0.1 . 1 . . . . . . . . 5987 1 321 . 1 1 29 29 TRP H H 1 8.788 0.02 . 1 . . . . . . . . 5987 1 322 . 1 1 29 29 TRP CA C 13 55.610 0.1 . 1 . . . . . . . . 5987 1 323 . 1 1 29 29 TRP HA H 1 4.834 0.02 . 1 . . . . . . . . 5987 1 324 . 1 1 29 29 TRP CB C 13 29.827 0.1 . 1 . . . . . . . . 5987 1 325 . 1 1 29 29 TRP HB2 H 1 3.313 0.02 . 2 . . . . . . . . 5987 1 326 . 1 1 29 29 TRP HB3 H 1 2.936 0.02 . 2 . . . . . . . . 5987 1 327 . 1 1 29 29 TRP CD1 C 13 126.642 0.1 . 2 . . . . . . . . 5987 1 328 . 1 1 29 29 TRP HD1 H 1 7.132 0.02 . 1 . . . . . . . . 5987 1 329 . 1 1 29 29 TRP NE1 N 15 129.659 0.1 . 1 . . . . . . . . 5987 1 330 . 1 1 29 29 TRP HE1 H 1 10.182 0.02 . 2 . . . . . . . . 5987 1 331 . 1 1 29 29 TRP CZ2 C 13 113.386 0.1 . 2 . . . . . . . . 5987 1 332 . 1 1 29 29 TRP HZ2 H 1 7.410 0.02 . 2 . . . . . . . . 5987 1 333 . 1 1 29 29 TRP CH2 C 13 123.211 0.1 . 1 . . . . . . . . 5987 1 334 . 1 1 29 29 TRP HH2 H 1 7.081 0.02 . 1 . . . . . . . . 5987 1 335 . 1 1 29 29 TRP CZ3 C 13 121.008 0.1 . 2 . . . . . . . . 5987 1 336 . 1 1 29 29 TRP HZ3 H 1 7.076 0.02 . 2 . . . . . . . . 5987 1 337 . 1 1 29 29 TRP CE3 C 13 127.912 0.1 . 2 . . . . . . . . 5987 1 338 . 1 1 29 29 TRP HE3 H 1 7.041 0.02 . 2 . . . . . . . . 5987 1 339 . 1 1 30 30 LEU N N 15 121.679 0.1 . 1 . . . . . . . . 5987 1 340 . 1 1 30 30 LEU H H 1 8.373 0.02 . 1 . . . . . . . . 5987 1 341 . 1 1 30 30 LEU CA C 13 53.978 0.1 . 1 . . . . . . . . 5987 1 342 . 1 1 30 30 LEU HA H 1 4.363 0.02 . 1 . . . . . . . . 5987 1 343 . 1 1 30 30 LEU CB C 13 41.828 0.1 . 1 . . . . . . . . 5987 1 344 . 1 1 30 30 LEU HB2 H 1 1.637 0.02 . 2 . . . . . . . . 5987 1 345 . 1 1 30 30 LEU HB3 H 1 1.436 0.02 . 2 . . . . . . . . 5987 1 346 . 1 1 30 30 LEU CG C 13 26.852 0.1 . 1 . . . . . . . . 5987 1 347 . 1 1 30 30 LEU HG H 1 1.504 0.02 . 1 . . . . . . . . 5987 1 348 . 1 1 30 30 LEU CD1 C 13 25.459 0.1 . 2 . . . . . . . . 5987 1 349 . 1 1 30 30 LEU HD11 H 1 0.799 0.02 . 1 . . . . . . . . 5987 1 350 . 1 1 30 30 LEU HD12 H 1 0.799 0.02 . 1 . . . . . . . . 5987 1 351 . 1 1 30 30 LEU HD13 H 1 0.799 0.02 . 1 . . . . . . . . 5987 1 352 . 1 1 30 30 LEU CD2 C 13 23.156 0.1 . 2 . . . . . . . . 5987 1 353 . 1 1 30 30 LEU HD21 H 1 0.703 0.02 . 1 . . . . . . . . 5987 1 354 . 1 1 30 30 LEU HD22 H 1 0.703 0.02 . 1 . . . . . . . . 5987 1 355 . 1 1 30 30 LEU HD23 H 1 0.703 0.02 . 1 . . . . . . . . 5987 1 356 . 1 1 31 31 GLY N N 15 109.881 0.1 . 1 . . . . . . . . 5987 1 357 . 1 1 31 31 GLY H H 1 8.570 0.02 . 1 . . . . . . . . 5987 1 358 . 1 1 31 31 GLY CA C 13 44.196 0.1 . 1 . . . . . . . . 5987 1 359 . 1 1 31 31 GLY HA3 H 1 3.988 0.02 . 2 . . . . . . . . 5987 1 360 . 1 1 31 31 GLY HA2 H 1 3.850 0.02 . 2 . . . . . . . . 5987 1 361 . 1 1 32 32 GLN N N 15 119.512 0.1 . 1 . . . . . . . . 5987 1 362 . 1 1 32 32 GLN H H 1 8.505 0.02 . 1 . . . . . . . . 5987 1 363 . 1 1 32 32 GLN CA C 13 56.184 0.1 . 1 . . . . . . . . 5987 1 364 . 1 1 32 32 GLN HA H 1 4.214 0.02 . 1 . . . . . . . . 5987 1 365 . 1 1 32 32 GLN CB C 13 28.850 0.1 . 1 . . . . . . . . 5987 1 366 . 1 1 32 32 GLN HB2 H 1 1.968 0.02 . 2 . . . . . . . . 5987 1 367 . 1 1 32 32 GLN HB3 H 1 2.103 0.02 . 2 . . . . . . . . 5987 1 368 . 1 1 32 32 GLN CG C 13 33.246 0.1 . 1 . . . . . . . . 5987 1 369 . 1 1 32 32 GLN HG2 H 1 2.342 0.02 . 2 . . . . . . . . 5987 1 370 . 1 1 32 32 GLN NE2 N 15 112.698 0.1 . 1 . . . . . . . . 5987 1 371 . 1 1 32 32 GLN HE21 H 1 7.593 0.02 . 2 . . . . . . . . 5987 1 372 . 1 1 32 32 GLN HE22 H 1 6.839 0.02 . 2 . . . . . . . . 5987 1 373 . 1 1 33 33 ASN N N 15 117.329 0.1 . 1 . . . . . . . . 5987 1 374 . 1 1 33 33 ASN H H 1 8.497 0.02 . 1 . . . . . . . . 5987 1 375 . 1 1 33 33 ASN CA C 13 52.807 0.1 . 1 . . . . . . . . 5987 1 376 . 1 1 33 33 ASN HA H 1 4.698 0.02 . 1 . . . . . . . . 5987 1 377 . 1 1 33 33 ASN CB C 13 38.368 0.1 . 1 . . . . . . . . 5987 1 378 . 1 1 33 33 ASN HB2 H 1 2.836 0.02 . 2 . . . . . . . . 5987 1 379 . 1 1 33 33 ASN HB3 H 1 2.695 0.02 . 2 . . . . . . . . 5987 1 380 . 1 1 33 33 ASN ND2 N 15 113.249 0.1 . 1 . . . . . . . . 5987 1 381 . 1 1 33 33 ASN HD21 H 1 7.672 0.02 . 2 . . . . . . . . 5987 1 382 . 1 1 33 33 ASN HD22 H 1 6.916 0.02 . 2 . . . . . . . . 5987 1 383 . 1 1 34 34 GLU CA C 13 57.649 0.1 . 1 . . . . . . . . 5987 1 384 . 1 1 34 34 GLU HA H 1 3.895 0.02 . 1 . . . . . . . . 5987 1 385 . 1 1 34 34 GLU CB C 13 29.216 0.1 . 1 . . . . . . . . 5987 1 386 . 1 1 34 34 GLU HB2 H 1 1.851 0.02 . 2 . . . . . . . . 5987 1 387 . 1 1 34 34 GLU HB3 H 1 1.669 0.02 . 2 . . . . . . . . 5987 1 388 . 1 1 35 35 PHE N N 15 117.279 0.1 . 1 . . . . . . . . 5987 1 389 . 1 1 35 35 PHE H H 1 8.190 0.02 . 1 . . . . . . . . 5987 1 390 . 1 1 35 35 PHE CA C 13 57.584 0.1 . 1 . . . . . . . . 5987 1 391 . 1 1 35 35 PHE HA H 1 4.381 0.02 . 1 . . . . . . . . 5987 1 392 . 1 1 35 35 PHE CB C 13 38.590 0.1 . 1 . . . . . . . . 5987 1 393 . 1 1 35 35 PHE HB2 H 1 3.074 0.02 . 2 . . . . . . . . 5987 1 394 . 1 1 35 35 PHE HB3 H 1 2.914 0.02 . 2 . . . . . . . . 5987 1 395 . 1 1 35 35 PHE CD1 C 13 130.562 0.1 . 2 . . . . . . . . 5987 1 396 . 1 1 35 35 PHE HD1 H 1 7.111 0.02 . 2 . . . . . . . . 5987 1 397 . 1 1 35 35 PHE CE1 C 13 129.713 0.1 . 2 . . . . . . . . 5987 1 398 . 1 1 35 35 PHE HE1 H 1 7.132 0.02 . 2 . . . . . . . . 5987 1 399 . 1 1 36 36 ASP N N 15 120.813 0.1 . 1 . . . . . . . . 5987 1 400 . 1 1 36 36 ASP H H 1 7.855 0.02 . 1 . . . . . . . . 5987 1 401 . 1 1 36 36 ASP CA C 13 54.166 0.1 . 1 . . . . . . . . 5987 1 402 . 1 1 36 36 ASP HA H 1 4.572 0.02 . 1 . . . . . . . . 5987 1 403 . 1 1 36 36 ASP CB C 13 40.527 0.1 . 1 . . . . . . . . 5987 1 404 . 1 1 36 36 ASP HB2 H 1 2.645 0.02 . 2 . . . . . . . . 5987 1 405 . 1 1 36 36 ASP HB3 H 1 2.515 0.02 . 2 . . . . . . . . 5987 1 406 . 1 1 37 37 PHE N N 15 119.653 0.1 . 1 . . . . . . . . 5987 1 407 . 1 1 37 37 PHE H H 1 8.005 0.02 . 1 . . . . . . . . 5987 1 408 . 1 1 37 37 PHE CA C 13 58.106 0.1 . 1 . . . . . . . . 5987 1 409 . 1 1 37 37 PHE HA H 1 4.531 0.02 . 1 . . . . . . . . 5987 1 410 . 1 1 37 37 PHE CB C 13 38.977 0.1 . 1 . . . . . . . . 5987 1 411 . 1 1 37 37 PHE HB2 H 1 3.161 0.02 . 2 . . . . . . . . 5987 1 412 . 1 1 37 37 PHE HB3 H 1 3.079 0.02 . 2 . . . . . . . . 5987 1 413 . 1 1 37 37 PHE CD1 C 13 130.818 0.1 . 2 . . . . . . . . 5987 1 414 . 1 1 37 37 PHE HD1 H 1 7.197 0.02 . 2 . . . . . . . . 5987 1 415 . 1 1 38 38 MET N N 15 118.638 0.1 . 1 . . . . . . . . 5987 1 416 . 1 1 38 38 MET H H 1 8.162 0.02 . 1 . . . . . . . . 5987 1 417 . 1 1 38 38 MET CA C 13 55.481 0.1 . 1 . . . . . . . . 5987 1 418 . 1 1 38 38 MET HA H 1 4.440 0.02 . 1 . . . . . . . . 5987 1 419 . 1 1 38 38 MET CB C 13 32.242 0.1 . 1 . . . . . . . . 5987 1 420 . 1 1 38 38 MET HB2 H 1 2.042 0.02 . 2 . . . . . . . . 5987 1 421 . 1 1 38 38 MET CG C 13 31.990 0.1 . 1 . . . . . . . . 5987 1 422 . 1 1 38 38 MET HG2 H 1 2.504 0.02 . 2 . . . . . . . . 5987 1 423 . 1 1 38 38 MET HG3 H 1 2.371 0.02 . 2 . . . . . . . . 5987 1 424 . 1 1 38 38 MET CE C 13 16.755 0.1 . 1 . . . . . . . . 5987 1 425 . 1 1 38 38 MET HE1 H 1 1.965 0.02 . 1 . . . . . . . . 5987 1 426 . 1 1 38 38 MET HE2 H 1 1.965 0.02 . 1 . . . . . . . . 5987 1 427 . 1 1 38 38 MET HE3 H 1 1.965 0.02 . 1 . . . . . . . . 5987 1 428 . 1 1 39 39 THR N N 15 113.337 0.1 . 1 . . . . . . . . 5987 1 429 . 1 1 39 39 THR H H 1 7.947 0.02 . 1 . . . . . . . . 5987 1 430 . 1 1 39 39 THR CA C 13 62.232 0.1 . 1 . . . . . . . . 5987 1 431 . 1 1 39 39 THR HA H 1 4.250 0.02 . 1 . . . . . . . . 5987 1 432 . 1 1 39 39 THR CB C 13 68.983 0.1 . 1 . . . . . . . . 5987 1 433 . 1 1 39 39 THR HB H 1 4.192 0.02 . 1 . . . . . . . . 5987 1 434 . 1 1 39 39 THR CG2 C 13 21.279 0.1 . 1 . . . . . . . . 5987 1 435 . 1 1 39 39 THR HG21 H 1 1.112 0.02 . 1 . . . . . . . . 5987 1 436 . 1 1 39 39 THR HG22 H 1 1.112 0.02 . 1 . . . . . . . . 5987 1 437 . 1 1 39 39 THR HG23 H 1 1.112 0.02 . 1 . . . . . . . . 5987 1 438 . 1 1 40 40 ASP N N 15 121.807 0.1 . 1 . . . . . . . . 5987 1 439 . 1 1 40 40 ASP H H 1 8.197 0.02 . 1 . . . . . . . . 5987 1 440 . 1 1 40 40 ASP CA C 13 53.883 0.1 . 1 . . . . . . . . 5987 1 441 . 1 1 40 40 ASP HA H 1 4.570 0.02 . 1 . . . . . . . . 5987 1 442 . 1 1 41 41 PHE N N 15 119.464 0.1 . 1 . . . . . . . . 5987 1 443 . 1 1 41 41 PHE H H 1 7.971 0.02 . 1 . . . . . . . . 5987 1 444 . 1 1 41 41 PHE CA C 13 57.519 0.1 . 1 . . . . . . . . 5987 1 445 . 1 1 41 41 PHE HA H 1 4.576 0.02 . 1 . . . . . . . . 5987 1 446 . 1 1 41 41 PHE CB C 13 39.354 0.1 . 1 . . . . . . . . 5987 1 447 . 1 1 41 41 PHE HB2 H 1 3.059 0.02 . 2 . . . . . . . . 5987 1 448 . 1 1 41 41 PHE HB3 H 1 2.966 0.02 . 2 . . . . . . . . 5987 1 449 . 1 1 41 41 PHE CD1 C 13 130.596 0.1 . 2 . . . . . . . . 5987 1 450 . 1 1 41 41 PHE HD1 H 1 7.142 0.02 . 2 . . . . . . . . 5987 1 451 . 1 1 42 42 VAL N N 15 121.578 0.1 . 1 . . . . . . . . 5987 1 452 . 1 1 42 42 VAL H H 1 8.018 0.02 . 1 . . . . . . . . 5987 1 453 . 1 1 42 42 VAL CA C 13 61.867 0.1 . 1 . . . . . . . . 5987 1 454 . 1 1 42 42 VAL HA H 1 4.082 0.02 . 1 . . . . . . . . 5987 1 455 . 1 1 42 42 VAL CB C 13 32.772 0.1 . 1 . . . . . . . . 5987 1 456 . 1 1 42 42 VAL HB H 1 2.044 0.02 . 1 . . . . . . . . 5987 1 457 . 1 1 42 42 VAL CG2 C 13 20.475 0.1 . 2 . . . . . . . . 5987 1 458 . 1 1 42 42 VAL HG21 H 1 0.910 0.02 . 1 . . . . . . . . 5987 1 459 . 1 1 42 42 VAL HG22 H 1 0.910 0.02 . 1 . . . . . . . . 5987 1 460 . 1 1 42 42 VAL HG23 H 1 0.910 0.02 . 1 . . . . . . . . 5987 1 461 . 1 1 42 42 VAL CG1 C 13 20.860 0.1 . 2 . . . . . . . . 5987 1 462 . 1 1 42 42 VAL HG11 H 1 0.886 0.02 . 1 . . . . . . . . 5987 1 463 . 1 1 42 42 VAL HG12 H 1 0.886 0.02 . 1 . . . . . . . . 5987 1 464 . 1 1 42 42 VAL HG13 H 1 0.886 0.02 . 1 . . . . . . . . 5987 1 465 . 1 1 43 43 CYS N N 15 123.237 0.1 . 1 . . . . . . . . 5987 1 466 . 1 1 43 43 CYS H H 1 8.394 0.02 . 1 . . . . . . . . 5987 1 467 . 1 1 43 43 CYS CA C 13 57.962 0.1 . 1 . . . . . . . . 5987 1 468 . 1 1 43 43 CYS HA H 1 4.518 0.02 . 1 . . . . . . . . 5987 1 469 . 1 1 43 43 CYS CB C 13 27.482 0.1 . 1 . . . . . . . . 5987 1 470 . 1 1 43 43 CYS HB2 H 1 2.899 0.02 . 2 . . . . . . . . 5987 1 471 . 1 1 43 43 CYS HB3 H 1 2.852 0.02 . 2 . . . . . . . . 5987 1 472 . 1 1 44 44 LYS N N 15 124.678 0.1 . 1 . . . . . . . . 5987 1 473 . 1 1 44 44 LYS H H 1 8.466 0.02 . 1 . . . . . . . . 5987 1 474 . 1 1 44 44 LYS CA C 13 55.801 0.1 . 1 . . . . . . . . 5987 1 475 . 1 1 44 44 LYS HA H 1 4.318 0.02 . 1 . . . . . . . . 5987 1 476 . 1 1 44 44 LYS CB C 13 32.764 0.1 . 1 . . . . . . . . 5987 1 477 . 1 1 44 44 LYS HB2 H 1 1.832 0.02 . 2 . . . . . . . . 5987 1 478 . 1 1 44 44 LYS HB3 H 1 1.734 0.02 . 2 . . . . . . . . 5987 1 479 . 1 1 44 44 LYS CG C 13 25.844 0.1 . 1 . . . . . . . . 5987 1 480 . 1 1 44 44 LYS HG2 H 1 1.486 0.02 . 2 . . . . . . . . 5987 1 481 . 1 1 44 44 LYS CE C 13 41.414 0.1 . 1 . . . . . . . . 5987 1 482 . 1 1 44 44 LYS HE2 H 1 2.924 0.02 . 2 . . . . . . . . 5987 1 483 . 1 1 45 45 GLN N N 15 122.462 0.1 . 1 . . . . . . . . 5987 1 484 . 1 1 45 45 GLN H H 1 8.530 0.02 . 1 . . . . . . . . 5987 1 485 . 1 1 45 45 GLN CA C 13 55.133 0.1 . 1 . . . . . . . . 5987 1 486 . 1 1 45 45 GLN HA H 1 4.319 0.02 . 1 . . . . . . . . 5987 1 487 . 1 1 45 45 GLN CB C 13 29.150 0.1 . 1 . . . . . . . . 5987 1 488 . 1 1 45 45 GLN HB2 H 1 2.041 0.02 . 2 . . . . . . . . 5987 1 489 . 1 1 45 45 GLN HB3 H 1 1.935 0.02 . 2 . . . . . . . . 5987 1 490 . 1 1 45 45 GLN CG C 13 33.315 0.1 . 1 . . . . . . . . 5987 1 491 . 1 1 45 45 GLN HG2 H 1 2.320 0.02 . 2 . . . . . . . . 5987 1 492 . 1 1 45 45 GLN NE2 N 15 112.675 0.1 . 1 . . . . . . . . 5987 1 493 . 1 1 45 45 GLN HE21 H 1 7.507 0.02 . 2 . . . . . . . . 5987 1 494 . 1 1 45 45 GLN HE22 H 1 6.815 0.02 . 2 . . . . . . . . 5987 1 495 . 1 1 46 46 GLN N N 15 123.221 0.1 . 1 . . . . . . . . 5987 1 496 . 1 1 46 46 GLN H H 1 8.468 0.02 . 1 . . . . . . . . 5987 1 497 . 1 1 46 46 GLN CA C 13 53.167 0.1 . 1 . . . . . . . . 5987 1 498 . 1 1 46 46 GLN HA H 1 4.595 0.02 . 1 . . . . . . . . 5987 1 499 . 1 1 46 46 GLN CB C 13 28.497 0.1 . 1 . . . . . . . . 5987 1 500 . 1 1 46 46 GLN HB2 H 1 2.092 0.02 . 2 . . . . . . . . 5987 1 501 . 1 1 46 46 GLN HB3 H 1 1.912 0.02 . 2 . . . . . . . . 5987 1 502 . 1 1 46 46 GLN CG C 13 32.954 0.1 . 1 . . . . . . . . 5987 1 503 . 1 1 46 46 GLN HG2 H 1 2.372 0.02 . 2 . . . . . . . . 5987 1 504 . 1 1 46 46 GLN NE2 N 15 112.680 0.1 . 1 . . . . . . . . 5987 1 505 . 1 1 46 46 GLN HE21 H 1 7.541 0.02 . 2 . . . . . . . . 5987 1 506 . 1 1 46 46 GLN HE22 H 1 6.873 0.02 . 2 . . . . . . . . 5987 1 507 . 1 1 47 47 PRO CA C 13 62.653 0.1 . 1 . . . . . . . . 5987 1 508 . 1 1 47 47 PRO HA H 1 4.441 0.02 . 1 . . . . . . . . 5987 1 509 . 1 1 47 47 PRO CB C 13 31.754 0.1 . 1 . . . . . . . . 5987 1 510 . 1 1 47 47 PRO HB2 H 1 2.300 0.02 . 2 . . . . . . . . 5987 1 511 . 1 1 47 47 PRO HB3 H 1 1.910 0.02 . 2 . . . . . . . . 5987 1 512 . 1 1 47 47 PRO CG C 13 26.998 0.1 . 1 . . . . . . . . 5987 1 513 . 1 1 47 47 PRO HG2 H 1 2.008 0.02 . 2 . . . . . . . . 5987 1 514 . 1 1 47 47 PRO CD C 13 50.211 0.1 . 1 . . . . . . . . 5987 1 515 . 1 1 47 47 PRO HD2 H 1 3.771 0.02 . 2 . . . . . . . . 5987 1 516 . 1 1 47 47 PRO HD3 H 1 3.656 0.02 . 2 . . . . . . . . 5987 1 517 . 1 1 48 48 SER N N 15 116.369 0.1 . 1 . . . . . . . . 5987 1 518 . 1 1 48 48 SER H H 1 8.407 0.02 . 1 . . . . . . . . 5987 1 519 . 1 1 48 48 SER CA C 13 57.809 0.1 . 1 . . . . . . . . 5987 1 520 . 1 1 48 48 SER HA H 1 4.395 0.02 . 1 . . . . . . . . 5987 1 521 . 1 1 48 48 SER CB C 13 63.152 0.1 . 1 . . . . . . . . 5987 1 522 . 1 1 48 48 SER HB2 H 1 3.844 0.02 . 2 . . . . . . . . 5987 1 523 . 1 1 49 49 ARG N N 15 123.264 0.1 . 1 . . . . . . . . 5987 1 524 . 1 1 49 49 ARG H H 1 8.362 0.02 . 1 . . . . . . . . 5987 1 525 . 1 1 49 49 ARG CA C 13 55.407 0.1 . 1 . . . . . . . . 5987 1 526 . 1 1 49 49 ARG HA H 1 4.417 0.02 . 1 . . . . . . . . 5987 1 527 . 1 1 49 49 ARG CB C 13 30.631 0.1 . 1 . . . . . . . . 5987 1 528 . 1 1 49 49 ARG HB2 H 1 1.867 0.02 . 2 . . . . . . . . 5987 1 529 . 1 1 49 49 ARG HB3 H 1 1.754 0.02 . 2 . . . . . . . . 5987 1 530 . 1 1 49 49 ARG CG C 13 26.753 0.1 . 1 . . . . . . . . 5987 1 531 . 1 1 49 49 ARG HG2 H 1 1.616 0.02 . 2 . . . . . . . . 5987 1 532 . 1 1 49 49 ARG CD C 13 42.737 0.1 . 1 . . . . . . . . 5987 1 533 . 1 1 49 49 ARG HD2 H 1 3.175 0.02 . 2 . . . . . . . . 5987 1 534 . 1 1 50 50 VAL N N 15 121.697 0.1 . 1 . . . . . . . . 5987 1 535 . 1 1 50 50 VAL H H 1 8.233 0.02 . 1 . . . . . . . . 5987 1 536 . 1 1 50 50 VAL CA C 13 61.799 0.1 . 1 . . . . . . . . 5987 1 537 . 1 1 50 50 VAL HA H 1 4.181 0.02 . 1 . . . . . . . . 5987 1 538 . 1 1 50 50 VAL CB C 13 32.423 0.1 . 1 . . . . . . . . 5987 1 539 . 1 1 50 50 VAL HB H 1 2.106 0.02 . 1 . . . . . . . . 5987 1 540 . 1 1 50 50 VAL CG2 C 13 20.785 0.1 . 2 . . . . . . . . 5987 1 541 . 1 1 50 50 VAL HG21 H 1 0.941 0.02 . 1 . . . . . . . . 5987 1 542 . 1 1 50 50 VAL HG22 H 1 0.941 0.02 . 1 . . . . . . . . 5987 1 543 . 1 1 50 50 VAL HG23 H 1 0.941 0.02 . 1 . . . . . . . . 5987 1 544 . 1 1 50 50 VAL CG1 C 13 19.873 0.1 . 2 . . . . . . . . 5987 1 545 . 1 1 50 50 VAL HG11 H 1 0.920 0.02 . 1 . . . . . . . . 5987 1 546 . 1 1 50 50 VAL HG12 H 1 0.920 0.02 . 1 . . . . . . . . 5987 1 547 . 1 1 50 50 VAL HG13 H 1 0.920 0.02 . 1 . . . . . . . . 5987 1 548 . 1 1 51 51 SER N N 15 124.873 0.1 . 1 . . . . . . . . 5987 1 549 . 1 1 51 51 SER H H 1 7.930 0.02 . 1 . . . . . . . . 5987 1 550 . 1 1 51 51 SER CA C 13 59.364 0.1 . 1 . . . . . . . . 5987 1 551 . 1 1 51 51 SER HA H 1 4.251 0.02 . 1 . . . . . . . . 5987 1 552 . 1 1 51 51 SER CB C 13 64.280 0.1 . 1 . . . . . . . . 5987 1 553 . 1 1 51 51 SER HB2 H 1 3.818 0.02 . 2 . . . . . . . . 5987 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 5987 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . . 2 $sample_2 . 5987 2 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 . 2 2 1 1 ALA CA C 13 51.665 0.1 . 1 . . . . . . . . 5987 2 2 . 2 2 1 1 ALA HA H 1 4.177 0.02 . 1 . . . . . . . . 5987 2 3 . 2 2 1 1 ALA CB C 13 19.360 0.1 . 1 . . . . . . . . 5987 2 4 . 2 2 1 1 ALA HB1 H 1 1.543 0.02 . 1 . . . . . . . . 5987 2 5 . 2 2 1 1 ALA HB2 H 1 1.543 0.02 . 1 . . . . . . . . 5987 2 6 . 2 2 1 1 ALA HB3 H 1 1.543 0.02 . 1 . . . . . . . . 5987 2 7 . 2 2 2 2 THR N N 15 111.470 0.1 . 1 . . . . . . . . 5987 2 8 . 2 2 2 2 THR H H 1 8.320 0.02 . 1 . . . . . . . . 5987 2 9 . 2 2 2 2 THR CA C 13 61.733 0.1 . 1 . . . . . . . . 5987 2 10 . 2 2 2 2 THR HA H 1 4.423 0.02 . 1 . . . . . . . . 5987 2 11 . 2 2 2 2 THR CB C 13 69.849 0.1 . 1 . . . . . . . . 5987 2 12 . 2 2 2 2 THR HB H 1 4.205 0.02 . 1 . . . . . . . . 5987 2 13 . 2 2 2 2 THR CG2 C 13 21.461 0.1 . 1 . . . . . . . . 5987 2 14 . 2 2 2 2 THR HG21 H 1 1.226 0.02 . 1 . . . . . . . . 5987 2 15 . 2 2 2 2 THR HG22 H 1 1.226 0.02 . 1 . . . . . . . . 5987 2 16 . 2 2 2 2 THR HG23 H 1 1.226 0.02 . 1 . . . . . . . . 5987 2 17 . 2 2 3 3 GLY N N 15 111.731 0.1 . 1 . . . . . . . . 5987 2 18 . 2 2 3 3 GLY H H 1 8.355 0.02 . 1 . . . . . . . . 5987 2 19 . 2 2 3 3 GLY CA C 13 44.476 0.1 . 1 . . . . . . . . 5987 2 20 . 2 2 3 3 GLY HA3 H 1 4.087 0.02 . 2 . . . . . . . . 5987 2 21 . 2 2 3 3 GLY HA2 H 1 4.158 0.02 . 2 . . . . . . . . 5987 2 22 . 2 2 4 4 PRO CA C 13 63.290 0.1 . 1 . . . . . . . . 5987 2 23 . 2 2 4 4 PRO HA H 1 4.479 0.02 . 1 . . . . . . . . 5987 2 24 . 2 2 4 4 PRO CB C 13 32.231 0.1 . 1 . . . . . . . . 5987 2 25 . 2 2 4 4 PRO HB2 H 1 2.247 0.02 . 2 . . . . . . . . 5987 2 26 . 2 2 4 4 PRO HB3 H 1 1.900 0.02 . 2 . . . . . . . . 5987 2 27 . 2 2 4 4 PRO CG C 13 27.167 0.1 . 1 . . . . . . . . 5987 2 28 . 2 2 4 4 PRO HG2 H 1 1.983 0.02 . 2 . . . . . . . . 5987 2 29 . 2 2 4 4 PRO CD C 13 49.755 0.1 . 1 . . . . . . . . 5987 2 30 . 2 2 4 4 PRO HD2 H 1 3.643 0.02 . 2 . . . . . . . . 5987 2 31 . 2 2 4 4 PRO HD3 H 1 3.593 0.02 . 2 . . . . . . . . 5987 2 32 . 2 2 5 5 THR N N 15 113.960 0.1 . 1 . . . . . . . . 5987 2 33 . 2 2 5 5 THR H H 1 8.265 0.02 . 1 . . . . . . . . 5987 2 34 . 2 2 5 5 THR CA C 13 61.768 0.1 . 1 . . . . . . . . 5987 2 35 . 2 2 5 5 THR HA H 1 4.290 0.02 . 1 . . . . . . . . 5987 2 36 . 2 2 5 5 THR CB C 13 69.704 0.1 . 1 . . . . . . . . 5987 2 37 . 2 2 5 5 THR HB H 1 4.168 0.02 . 1 . . . . . . . . 5987 2 38 . 2 2 5 5 THR CG2 C 13 21.591 0.1 . 1 . . . . . . . . 5987 2 39 . 2 2 5 5 THR HG21 H 1 1.192 0.02 . 1 . . . . . . . . 5987 2 40 . 2 2 5 5 THR HG22 H 1 1.192 0.02 . 1 . . . . . . . . 5987 2 41 . 2 2 5 5 THR HG23 H 1 1.192 0.02 . 1 . . . . . . . . 5987 2 42 . 2 2 6 6 ALA N N 15 126.443 0.1 . 1 . . . . . . . . 5987 2 43 . 2 2 6 6 ALA H H 1 8.267 0.02 . 1 . . . . . . . . 5987 2 44 . 2 2 6 6 ALA CA C 13 52.063 0.1 . 1 . . . . . . . . 5987 2 45 . 2 2 6 6 ALA HA H 1 4.298 0.02 . 1 . . . . . . . . 5987 2 46 . 2 2 6 6 ALA CB C 13 19.375 0.1 . 1 . . . . . . . . 5987 2 47 . 2 2 6 6 ALA HB1 H 1 1.324 0.02 . 1 . . . . . . . . 5987 2 48 . 2 2 6 6 ALA HB2 H 1 1.324 0.02 . 1 . . . . . . . . 5987 2 49 . 2 2 6 6 ALA HB3 H 1 1.324 0.02 . 1 . . . . . . . . 5987 2 50 . 2 2 7 7 ASP N N 15 121.679 0.1 . 1 . . . . . . . . 5987 2 51 . 2 2 7 7 ASP H H 1 8.350 0.02 . 1 . . . . . . . . 5987 2 52 . 2 2 7 7 ASP CA C 13 52.568 0.1 . 1 . . . . . . . . 5987 2 53 . 2 2 7 7 ASP HA H 1 4.836 0.02 . 1 . . . . . . . . 5987 2 54 . 2 2 7 7 ASP CB C 13 41.279 0.1 . 1 . . . . . . . . 5987 2 55 . 2 2 7 7 ASP HB2 H 1 2.799 0.02 . 2 . . . . . . . . 5987 2 56 . 2 2 7 7 ASP HB3 H 1 2.663 0.02 . 2 . . . . . . . . 5987 2 57 . 2 2 8 8 PRO CA C 13 64.788 0.1 . 1 . . . . . . . . 5987 2 58 . 2 2 8 8 PRO HA H 1 4.233 0.02 . 1 . . . . . . . . 5987 2 59 . 2 2 8 8 PRO CB C 13 32.067 0.1 . 1 . . . . . . . . 5987 2 60 . 2 2 8 8 PRO HB2 H 1 1.997 0.02 . 2 . . . . . . . . 5987 2 61 . 2 2 8 8 PRO HB3 H 1 2.355 0.02 . 2 . . . . . . . . 5987 2 62 . 2 2 8 8 PRO CG C 13 27.481 0.1 . 1 . . . . . . . . 5987 2 63 . 2 2 8 8 PRO HG2 H 1 2.080 0.02 . 2 . . . . . . . . 5987 2 64 . 2 2 8 8 PRO HG3 H 1 2.165 0.02 . 2 . . . . . . . . 5987 2 65 . 2 2 8 8 PRO CD C 13 50.918 0.1 . 1 . . . . . . . . 5987 2 66 . 2 2 8 8 PRO HD2 H 1 3.937 0.02 . 2 . . . . . . . . 5987 2 67 . 2 2 8 8 PRO HD3 H 1 3.900 0.02 . 2 . . . . . . . . 5987 2 68 . 2 2 9 9 GLU N N 15 119.230 0.1 . 1 . . . . . . . . 5987 2 69 . 2 2 9 9 GLU H H 1 8.265 0.02 . 1 . . . . . . . . 5987 2 70 . 2 2 9 9 GLU CA C 13 58.405 0.1 . 1 . . . . . . . . 5987 2 71 . 2 2 9 9 GLU HA H 1 4.171 0.02 . 1 . . . . . . . . 5987 2 72 . 2 2 9 9 GLU CB C 13 29.103 0.1 . 1 . . . . . . . . 5987 2 73 . 2 2 9 9 GLU HB2 H 1 2.118 0.02 . 2 . . . . . . . . 5987 2 74 . 2 2 9 9 GLU CG C 13 36.271 0.1 . 1 . . . . . . . . 5987 2 75 . 2 2 9 9 GLU HG2 H 1 2.346 0.02 . 2 . . . . . . . . 5987 2 76 . 2 2 9 9 GLU HG3 H 1 2.275 0.02 . 2 . . . . . . . . 5987 2 77 . 2 2 10 10 LYS N N 15 120.515 0.1 . 1 . . . . . . . . 5987 2 78 . 2 2 10 10 LYS H H 1 7.942 0.02 . 1 . . . . . . . . 5987 2 79 . 2 2 10 10 LYS CA C 13 59.157 0.1 . 1 . . . . . . . . 5987 2 80 . 2 2 10 10 LYS HA H 1 3.934 0.02 . 1 . . . . . . . . 5987 2 81 . 2 2 10 10 LYS CB C 13 32.583 0.1 . 1 . . . . . . . . 5987 2 82 . 2 2 10 10 LYS HB2 H 1 1.866 0.02 . 2 . . . . . . . . 5987 2 83 . 2 2 10 10 LYS HB3 H 1 1.798 0.02 . 2 . . . . . . . . 5987 2 84 . 2 2 10 10 LYS CG C 13 24.898 0.1 . 1 . . . . . . . . 5987 2 85 . 2 2 10 10 LYS HG2 H 1 1.469 0.02 . 2 . . . . . . . . 5987 2 86 . 2 2 10 10 LYS CD C 13 28.706 0.1 . 1 . . . . . . . . 5987 2 87 . 2 2 10 10 LYS HD2 H 1 1.629 0.02 . 2 . . . . . . . . 5987 2 88 . 2 2 10 10 LYS CE C 13 41.941 0.1 . 1 . . . . . . . . 5987 2 89 . 2 2 10 10 LYS HE2 H 1 2.940 0.02 . 2 . . . . . . . . 5987 2 90 . 2 2 11 11 ARG N N 15 117.605 0.1 . 1 . . . . . . . . 5987 2 91 . 2 2 11 11 ARG H H 1 8.067 0.02 . 1 . . . . . . . . 5987 2 92 . 2 2 11 11 ARG CA C 13 60.078 0.1 . 1 . . . . . . . . 5987 2 93 . 2 2 11 11 ARG HA H 1 3.697 0.02 . 1 . . . . . . . . 5987 2 94 . 2 2 11 11 ARG CB C 13 29.940 0.1 . 1 . . . . . . . . 5987 2 95 . 2 2 11 11 ARG HB2 H 1 1.871 0.02 . 2 . . . . . . . . 5987 2 96 . 2 2 11 11 ARG HB3 H 1 1.783 0.02 . 2 . . . . . . . . 5987 2 97 . 2 2 11 11 ARG CG C 13 27.236 0.1 . 1 . . . . . . . . 5987 2 98 . 2 2 11 11 ARG HG2 H 1 1.535 0.02 . 2 . . . . . . . . 5987 2 99 . 2 2 11 11 ARG HG3 H 1 1.417 0.02 . 2 . . . . . . . . 5987 2 100 . 2 2 11 11 ARG CD C 13 43.504 0.1 . 1 . . . . . . . . 5987 2 101 . 2 2 11 11 ARG HD2 H 1 3.071 0.02 . 2 . . . . . . . . 5987 2 102 . 2 2 12 12 LYS CA C 13 58.984 0.1 . 1 . . . . . . . . 5987 2 103 . 2 2 12 12 LYS HA H 1 4.188 0.02 . 1 . . . . . . . . 5987 2 104 . 2 2 12 12 LYS CB C 13 32.024 0.1 . 1 . . . . . . . . 5987 2 105 . 2 2 12 12 LYS HB2 H 1 1.913 0.02 . 2 . . . . . . . . 5987 2 106 . 2 2 12 12 LYS CG C 13 24.850 0.1 . 1 . . . . . . . . 5987 2 107 . 2 2 12 12 LYS HG2 H 1 1.556 0.02 . 2 . . . . . . . . 5987 2 108 . 2 2 12 12 LYS HG3 H 1 1.379 0.02 . 2 . . . . . . . . 5987 2 109 . 2 2 12 12 LYS CD C 13 29.059 0.1 . 1 . . . . . . . . 5987 2 110 . 2 2 12 12 LYS HD2 H 1 1.744 0.02 . 2 . . . . . . . . 5987 2 111 . 2 2 12 12 LYS CE C 13 41.778 0.1 . 1 . . . . . . . . 5987 2 112 . 2 2 12 12 LYS HE2 H 1 2.967 0.02 . 1 . . . . . . . . 5987 2 113 . 2 2 13 13 LEU N N 15 119.535 0.1 . 1 . . . . . . . . 5987 2 114 . 2 2 13 13 LEU H H 1 7.646 0.02 . 1 . . . . . . . . 5987 2 115 . 2 2 13 13 LEU CA C 13 57.810 0.1 . 1 . . . . . . . . 5987 2 116 . 2 2 13 13 LEU HA H 1 4.083 0.02 . 1 . . . . . . . . 5987 2 117 . 2 2 13 13 LEU CB C 13 41.367 0.1 . 1 . . . . . . . . 5987 2 118 . 2 2 13 13 LEU HB2 H 1 1.542 0.02 . 2 . . . . . . . . 5987 2 119 . 2 2 13 13 LEU HB3 H 1 2.035 0.02 . 2 . . . . . . . . 5987 2 120 . 2 2 13 13 LEU CG C 13 26.668 0.1 . 1 . . . . . . . . 5987 2 121 . 2 2 13 13 LEU HG H 1 1.971 0.02 . 1 . . . . . . . . 5987 2 122 . 2 2 13 13 LEU CD1 C 13 25.728 0.1 . 2 . . . . . . . . 5987 2 123 . 2 2 13 13 LEU HD11 H 1 0.904 0.02 . 1 . . . . . . . . 5987 2 124 . 2 2 13 13 LEU HD12 H 1 0.904 0.02 . 1 . . . . . . . . 5987 2 125 . 2 2 13 13 LEU HD13 H 1 0.904 0.02 . 1 . . . . . . . . 5987 2 126 . 2 2 13 13 LEU CD2 C 13 22.442 0.1 . 2 . . . . . . . . 5987 2 127 . 2 2 13 13 LEU HD21 H 1 0.874 0.02 . 1 . . . . . . . . 5987 2 128 . 2 2 13 13 LEU HD22 H 1 0.874 0.02 . 1 . . . . . . . . 5987 2 129 . 2 2 13 13 LEU HD23 H 1 0.874 0.02 . 1 . . . . . . . . 5987 2 130 . 2 2 14 14 ILE N N 15 120.325 0.1 . 1 . . . . . . . . 5987 2 131 . 2 2 14 14 ILE H H 1 8.063 0.02 . 1 . . . . . . . . 5987 2 132 . 2 2 14 14 ILE CA C 13 65.265 0.1 . 1 . . . . . . . . 5987 2 133 . 2 2 14 14 ILE HA H 1 3.386 0.02 . 1 . . . . . . . . 5987 2 134 . 2 2 14 14 ILE CB C 13 37.747 0.1 . 1 . . . . . . . . 5987 2 135 . 2 2 14 14 ILE HB H 1 1.936 0.02 . 1 . . . . . . . . 5987 2 136 . 2 2 14 14 ILE CD1 C 13 13.936 0.1 . 1 . . . . . . . . 5987 2 137 . 2 2 14 14 ILE HD11 H 1 0.566 0.02 . 1 . . . . . . . . 5987 2 138 . 2 2 14 14 ILE HD12 H 1 0.566 0.02 . 1 . . . . . . . . 5987 2 139 . 2 2 14 14 ILE HD13 H 1 0.566 0.02 . 1 . . . . . . . . 5987 2 140 . 2 2 14 14 ILE CG2 C 13 17.722 0.1 . 2 . . . . . . . . 5987 2 141 . 2 2 14 14 ILE HG21 H 1 0.769 0.02 . 1 . . . . . . . . 5987 2 142 . 2 2 14 14 ILE HG22 H 1 0.769 0.02 . 1 . . . . . . . . 5987 2 143 . 2 2 14 14 ILE HG23 H 1 0.769 0.02 . 1 . . . . . . . . 5987 2 144 . 2 2 15 15 GLN N N 15 120.754 0.1 . 1 . . . . . . . . 5987 2 145 . 2 2 15 15 GLN H H 1 7.926 0.02 . 1 . . . . . . . . 5987 2 146 . 2 2 15 15 GLN CA C 13 59.591 0.1 . 1 . . . . . . . . 5987 2 147 . 2 2 15 15 GLN HA H 1 3.754 0.02 . 1 . . . . . . . . 5987 2 148 . 2 2 15 15 GLN CB C 13 29.246 0.1 . 1 . . . . . . . . 5987 2 149 . 2 2 15 15 GLN HB2 H 1 1.905 0.02 . 2 . . . . . . . . 5987 2 150 . 2 2 15 15 GLN HB3 H 1 2.479 0.02 . 2 . . . . . . . . 5987 2 151 . 2 2 15 15 GLN CG C 13 34.224 0.1 . 1 . . . . . . . . 5987 2 152 . 2 2 15 15 GLN HG2 H 1 2.667 0.02 . 2 . . . . . . . . 5987 2 153 . 2 2 15 15 GLN HG3 H 1 2.561 0.02 . 2 . . . . . . . . 5987 2 154 . 2 2 15 15 GLN NE2 N 15 110.453 0.1 . 1 . . . . . . . . 5987 2 155 . 2 2 15 15 GLN HE21 H 1 7.756 0.02 . 2 . . . . . . . . 5987 2 156 . 2 2 15 15 GLN HE22 H 1 6.625 0.02 . 2 . . . . . . . . 5987 2 157 . 2 2 16 16 GLN N N 15 117.605 0.1 . 1 . . . . . . . . 5987 2 158 . 2 2 16 16 GLN H H 1 8.067 0.02 . 1 . . . . . . . . 5987 2 159 . 2 2 16 16 GLN CA C 13 59.292 0.1 . 1 . . . . . . . . 5987 2 160 . 2 2 16 16 GLN HA H 1 3.905 0.02 . 1 . . . . . . . . 5987 2 161 . 2 2 16 16 GLN CB C 13 28.690 0.1 . 1 . . . . . . . . 5987 2 162 . 2 2 16 16 GLN HB2 H 1 2.323 0.02 . 2 . . . . . . . . 5987 2 163 . 2 2 16 16 GLN HB3 H 1 1.966 0.02 . 2 . . . . . . . . 5987 2 164 . 2 2 16 16 GLN CG C 13 35.114 0.1 . 1 . . . . . . . . 5987 2 165 . 2 2 16 16 GLN HG2 H 1 2.726 0.02 . 2 . . . . . . . . 5987 2 166 . 2 2 16 16 GLN HG3 H 1 2.341 0.02 . 2 . . . . . . . . 5987 2 167 . 2 2 16 16 GLN NE2 N 15 109.467 0.1 . 1 . . . . . . . . 5987 2 168 . 2 2 16 16 GLN HE21 H 1 7.326 0.02 . 2 . . . . . . . . 5987 2 169 . 2 2 17 17 GLN N N 15 118.702 0.1 . 1 . . . . . . . . 5987 2 170 . 2 2 17 17 GLN H H 1 7.556 0.02 . 1 . . . . . . . . 5987 2 171 . 2 2 17 17 GLN CA C 13 60.226 0.1 . 1 . . . . . . . . 5987 2 172 . 2 2 17 17 GLN HA H 1 3.750 0.02 . 1 . . . . . . . . 5987 2 173 . 2 2 17 17 GLN CB C 13 31.891 0.1 . 1 . . . . . . . . 5987 2 174 . 2 2 17 17 GLN HB2 H 1 1.954 0.02 . 2 . . . . . . . . 5987 2 175 . 2 2 18 18 LEU N N 15 118.186 0.1 . 1 . . . . . . . . 5987 2 176 . 2 2 18 18 LEU H H 1 7.660 0.02 . 1 . . . . . . . . 5987 2 177 . 2 2 18 18 LEU CA C 13 58.480 0.1 . 1 . . . . . . . . 5987 2 178 . 2 2 18 18 LEU HA H 1 3.913 0.02 . 1 . . . . . . . . 5987 2 179 . 2 2 18 18 LEU CB C 13 41.026 0.1 . 1 . . . . . . . . 5987 2 180 . 2 2 18 18 LEU HB2 H 1 1.313 0.02 . 2 . . . . . . . . 5987 2 181 . 2 2 18 18 LEU HB3 H 1 2.105 0.02 . 2 . . . . . . . . 5987 2 182 . 2 2 18 18 LEU CG C 13 26.926 0.1 . 1 . . . . . . . . 5987 2 183 . 2 2 18 18 LEU HG H 1 1.035 0.02 . 1 . . . . . . . . 5987 2 184 . 2 2 18 18 LEU CD1 C 13 20.926 0.1 . 2 . . . . . . . . 5987 2 185 . 2 2 18 18 LEU HD11 H 1 0.506 0.02 . 1 . . . . . . . . 5987 2 186 . 2 2 18 18 LEU HD12 H 1 0.506 0.02 . 1 . . . . . . . . 5987 2 187 . 2 2 18 18 LEU HD13 H 1 0.506 0.02 . 1 . . . . . . . . 5987 2 188 . 2 2 18 18 LEU CD2 C 13 26.631 0.1 . 2 . . . . . . . . 5987 2 189 . 2 2 18 18 LEU HD21 H 1 0.812 0.02 . 1 . . . . . . . . 5987 2 190 . 2 2 18 18 LEU HD22 H 1 0.812 0.02 . 1 . . . . . . . . 5987 2 191 . 2 2 18 18 LEU HD23 H 1 0.812 0.02 . 1 . . . . . . . . 5987 2 192 . 2 2 19 19 VAL N N 15 118.217 0.1 . 1 . . . . . . . . 5987 2 193 . 2 2 19 19 VAL H H 1 8.223 0.02 . 1 . . . . . . . . 5987 2 194 . 2 2 19 19 VAL CA C 13 67.365 0.1 . 1 . . . . . . . . 5987 2 195 . 2 2 19 19 VAL HA H 1 3.246 0.02 . 1 . . . . . . . . 5987 2 196 . 2 2 19 19 VAL CB C 13 31.313 0.1 . 1 . . . . . . . . 5987 2 197 . 2 2 19 19 VAL HB H 1 2.041 0.02 . 1 . . . . . . . . 5987 2 198 . 2 2 19 19 VAL CG2 C 13 24.396 0.1 . 2 . . . . . . . . 5987 2 199 . 2 2 19 19 VAL HG21 H 1 0.988 0.02 . 1 . . . . . . . . 5987 2 200 . 2 2 19 19 VAL HG22 H 1 0.988 0.02 . 1 . . . . . . . . 5987 2 201 . 2 2 19 19 VAL HG23 H 1 0.988 0.02 . 1 . . . . . . . . 5987 2 202 . 2 2 19 19 VAL CG1 C 13 22.377 0.1 . 2 . . . . . . . . 5987 2 203 . 2 2 19 19 VAL HG11 H 1 0.784 0.02 . 1 . . . . . . . . 5987 2 204 . 2 2 19 19 VAL HG12 H 1 0.784 0.02 . 1 . . . . . . . . 5987 2 205 . 2 2 19 19 VAL HG13 H 1 0.784 0.02 . 1 . . . . . . . . 5987 2 206 . 2 2 20 20 LEU N N 15 116.737 0.1 . 1 . . . . . . . . 5987 2 207 . 2 2 20 20 LEU H H 1 8.508 0.02 . 1 . . . . . . . . 5987 2 208 . 2 2 20 20 LEU CA C 13 57.949 0.1 . 1 . . . . . . . . 5987 2 209 . 2 2 20 20 LEU HA H 1 3.936 0.02 . 1 . . . . . . . . 5987 2 210 . 2 2 20 20 LEU CB C 13 42.257 0.1 . 1 . . . . . . . . 5987 2 211 . 2 2 20 20 LEU HB2 H 1 1.824 0.02 . 2 . . . . . . . . 5987 2 212 . 2 2 20 20 LEU HB3 H 1 1.539 0.02 . 2 . . . . . . . . 5987 2 213 . 2 2 20 20 LEU CG C 13 27.224 0.1 . 1 . . . . . . . . 5987 2 214 . 2 2 20 20 LEU HG H 1 1.673 0.02 . 1 . . . . . . . . 5987 2 215 . 2 2 20 20 LEU CD1 C 13 24.660 0.1 . 2 . . . . . . . . 5987 2 216 . 2 2 20 20 LEU HD11 H 1 0.799 0.02 . 1 . . . . . . . . 5987 2 217 . 2 2 20 20 LEU HD12 H 1 0.799 0.02 . 1 . . . . . . . . 5987 2 218 . 2 2 20 20 LEU HD13 H 1 0.799 0.02 . 1 . . . . . . . . 5987 2 219 . 2 2 20 20 LEU CD2 C 13 25.135 0.1 . 2 . . . . . . . . 5987 2 220 . 2 2 20 20 LEU HD21 H 1 0.800 0.02 . 1 . . . . . . . . 5987 2 221 . 2 2 20 20 LEU HD22 H 1 0.800 0.02 . 1 . . . . . . . . 5987 2 222 . 2 2 20 20 LEU HD23 H 1 0.800 0.02 . 1 . . . . . . . . 5987 2 223 . 2 2 21 21 LEU N N 15 121.080 0.1 . 1 . . . . . . . . 5987 2 224 . 2 2 21 21 LEU H H 1 8.607 0.02 . 1 . . . . . . . . 5987 2 225 . 2 2 21 21 LEU CA C 13 58.716 0.1 . 1 . . . . . . . . 5987 2 226 . 2 2 21 21 LEU HA H 1 3.864 0.02 . 1 . . . . . . . . 5987 2 227 . 2 2 21 21 LEU CB C 13 43.013 0.1 . 1 . . . . . . . . 5987 2 228 . 2 2 21 21 LEU HB2 H 1 2.199 0.02 . 2 . . . . . . . . 5987 2 229 . 2 2 21 21 LEU HB3 H 1 1.208 0.02 . 2 . . . . . . . . 5987 2 230 . 2 2 21 21 LEU CG C 13 27.631 0.1 . 1 . . . . . . . . 5987 2 231 . 2 2 21 21 LEU HG H 1 1.859 0.02 . 1 . . . . . . . . 5987 2 232 . 2 2 21 21 LEU CD1 C 13 23.396 0.1 . 2 . . . . . . . . 5987 2 233 . 2 2 21 21 LEU HD11 H 1 0.986 0.02 . 1 . . . . . . . . 5987 2 234 . 2 2 21 21 LEU HD12 H 1 0.986 0.02 . 1 . . . . . . . . 5987 2 235 . 2 2 21 21 LEU HD13 H 1 0.986 0.02 . 1 . . . . . . . . 5987 2 236 . 2 2 21 21 LEU CD2 C 13 25.681 0.1 . 2 . . . . . . . . 5987 2 237 . 2 2 21 21 LEU HD21 H 1 0.961 0.02 . 1 . . . . . . . . 5987 2 238 . 2 2 21 21 LEU HD22 H 1 0.961 0.02 . 1 . . . . . . . . 5987 2 239 . 2 2 21 21 LEU HD23 H 1 0.961 0.02 . 1 . . . . . . . . 5987 2 240 . 2 2 22 22 LEU N N 15 118.902 0.1 . 1 . . . . . . . . 5987 2 241 . 2 2 22 22 LEU H H 1 8.328 0.02 . 1 . . . . . . . . 5987 2 242 . 2 2 22 22 LEU CA C 13 57.763 0.1 . 1 . . . . . . . . 5987 2 243 . 2 2 22 22 LEU HA H 1 3.871 0.02 . 1 . . . . . . . . 5987 2 244 . 2 2 22 22 LEU CB C 13 41.213 0.1 . 1 . . . . . . . . 5987 2 245 . 2 2 22 22 LEU HB2 H 1 1.732 0.02 . 2 . . . . . . . . 5987 2 246 . 2 2 22 22 LEU HB3 H 1 1.068 0.02 . 2 . . . . . . . . 5987 2 247 . 2 2 22 22 LEU CG C 13 25.968 0.1 . 1 . . . . . . . . 5987 2 248 . 2 2 22 22 LEU HG H 1 1.453 0.02 . 1 . . . . . . . . 5987 2 249 . 2 2 22 22 LEU CD1 C 13 20.947 0.1 . 2 . . . . . . . . 5987 2 250 . 2 2 22 22 LEU HD11 H 1 0.144 0.02 . 1 . . . . . . . . 5987 2 251 . 2 2 22 22 LEU HD12 H 1 0.144 0.02 . 1 . . . . . . . . 5987 2 252 . 2 2 22 22 LEU HD13 H 1 0.144 0.02 . 1 . . . . . . . . 5987 2 253 . 2 2 22 22 LEU CD2 C 13 25.404 0.1 . 2 . . . . . . . . 5987 2 254 . 2 2 22 22 LEU HD21 H 1 -0.115 0.02 . 1 . . . . . . . . 5987 2 255 . 2 2 22 22 LEU HD22 H 1 -0.115 0.02 . 1 . . . . . . . . 5987 2 256 . 2 2 22 22 LEU HD23 H 1 -0.115 0.02 . 1 . . . . . . . . 5987 2 257 . 2 2 23 23 HIS N N 15 117.320 0.1 . 1 . . . . . . . . 5987 2 258 . 2 2 23 23 HIS H H 1 8.726 0.02 . 1 . . . . . . . . 5987 2 259 . 2 2 23 23 HIS CA C 13 60.623 0.1 . 1 . . . . . . . . 5987 2 260 . 2 2 23 23 HIS HA H 1 3.946 0.02 . 1 . . . . . . . . 5987 2 261 . 2 2 23 23 HIS CB C 13 27.449 0.1 . 1 . . . . . . . . 5987 2 262 . 2 2 23 23 HIS HB2 H 1 2.782 0.02 . 2 . . . . . . . . 5987 2 263 . 2 2 23 23 HIS HB3 H 1 3.416 0.02 . 2 . . . . . . . . 5987 2 264 . 2 2 23 23 HIS CD2 C 13 128.705 0.1 . 1 . . . . . . . . 5987 2 265 . 2 2 23 23 HIS HD2 H 1 7.163 0.02 . 2 . . . . . . . . 5987 2 266 . 2 2 23 23 HIS CE1 C 13 139.642 0.1 . 1 . . . . . . . . 5987 2 267 . 2 2 23 23 HIS HE1 H 1 7.998 0.02 . 1 . . . . . . . . 5987 2 268 . 2 2 24 24 ALA N N 15 122.181 0.1 . 1 . . . . . . . . 5987 2 269 . 2 2 24 24 ALA H H 1 9.074 0.02 . 1 . . . . . . . . 5987 2 270 . 2 2 24 24 ALA CA C 13 55.242 0.1 . 1 . . . . . . . . 5987 2 271 . 2 2 24 24 ALA HA H 1 3.972 0.02 . 1 . . . . . . . . 5987 2 272 . 2 2 24 24 ALA CB C 13 18.924 0.1 . 1 . . . . . . . . 5987 2 273 . 2 2 24 24 ALA HB1 H 1 1.484 0.02 . 1 . . . . . . . . 5987 2 274 . 2 2 24 24 ALA HB2 H 1 1.484 0.02 . 1 . . . . . . . . 5987 2 275 . 2 2 24 24 ALA HB3 H 1 1.484 0.02 . 1 . . . . . . . . 5987 2 276 . 2 2 25 25 HIS N N 15 116.663 0.1 . 1 . . . . . . . . 5987 2 277 . 2 2 25 25 HIS H H 1 8.171 0.02 . 1 . . . . . . . . 5987 2 278 . 2 2 25 25 HIS CA C 13 60.336 0.1 . 1 . . . . . . . . 5987 2 279 . 2 2 25 25 HIS HA H 1 4.035 0.02 . 1 . . . . . . . . 5987 2 280 . 2 2 25 25 HIS CB C 13 30.454 0.1 . 1 . . . . . . . . 5987 2 281 . 2 2 25 25 HIS HB2 H 1 3.134 0.02 . 2 . . . . . . . . 5987 2 282 . 2 2 25 25 HIS CD2 C 13 120.190 0.1 . 1 . . . . . . . . 5987 2 283 . 2 2 25 25 HIS HD2 H 1 6.973 0.02 . 2 . . . . . . . . 5987 2 284 . 2 2 25 25 HIS CE1 C 13 138.227 0.1 . 1 . . . . . . . . 5987 2 285 . 2 2 25 25 HIS HE1 H 1 7.785 0.02 . 1 . . . . . . . . 5987 2 286 . 2 2 26 26 LYS N N 15 117.982 0.1 . 1 . . . . . . . . 5987 2 287 . 2 2 26 26 LYS H H 1 7.255 0.02 . 1 . . . . . . . . 5987 2 288 . 2 2 26 26 LYS CA C 13 57.756 0.1 . 1 . . . . . . . . 5987 2 289 . 2 2 26 26 LYS HA H 1 3.881 0.02 . 1 . . . . . . . . 5987 2 290 . 2 2 26 26 LYS CG C 13 24.903 0.1 . 1 . . . . . . . . 5987 2 291 . 2 2 26 26 LYS HG2 H 1 1.476 0.02 . 2 . . . . . . . . 5987 2 292 . 2 2 26 26 LYS CE C 13 41.776 0.1 . 1 . . . . . . . . 5987 2 293 . 2 2 26 26 LYS HE2 H 1 2.957 0.02 . 2 . . . . . . . . 5987 2 294 . 2 2 27 27 CYS N N 15 120.130 0.1 . 1 . . . . . . . . 5987 2 295 . 2 2 27 27 CYS H H 1 8.417 0.02 . 1 . . . . . . . . 5987 2 296 . 2 2 27 27 CYS CA C 13 62.492 0.1 . 1 . . . . . . . . 5987 2 297 . 2 2 27 27 CYS HA H 1 3.709 0.02 . 1 . . . . . . . . 5987 2 298 . 2 2 27 27 CYS CB C 13 29.543 0.1 . 1 . . . . . . . . 5987 2 299 . 2 2 27 27 CYS HB2 H 1 2.041 0.02 . 2 . . . . . . . . 5987 2 300 . 2 2 27 27 CYS HB3 H 1 2.476 0.02 . 2 . . . . . . . . 5987 2 301 . 2 2 29 29 ARG CA C 13 57.808 0.1 . 1 . . . . . . . . 5987 2 302 . 2 2 29 29 ARG HA H 1 4.103 0.02 . 1 . . . . . . . . 5987 2 303 . 2 2 29 29 ARG CB C 13 29.715 0.1 . 1 . . . . . . . . 5987 2 304 . 2 2 29 29 ARG HB2 H 1 1.856 0.02 . 2 . . . . . . . . 5987 2 305 . 2 2 29 29 ARG HB3 H 1 1.763 0.02 . 2 . . . . . . . . 5987 2 306 . 2 2 29 29 ARG CG C 13 27.140 0.1 . 1 . . . . . . . . 5987 2 307 . 2 2 29 29 ARG HG2 H 1 1.579 0.02 . 2 . . . . . . . . 5987 2 308 . 2 2 29 29 ARG CD C 13 43.019 0.1 . 1 . . . . . . . . 5987 2 309 . 2 2 29 29 ARG HD2 H 1 3.104 0.02 . 2 . . . . . . . . 5987 2 310 . 2 2 30 30 ARG H H 1 8.241 0.02 . 1 . . . . . . . . 5987 2 311 . 2 2 30 30 ARG CA C 13 57.585 0.1 . 1 . . . . . . . . 5987 2 312 . 2 2 30 30 ARG HA H 1 4.203 0.02 . 1 . . . . . . . . 5987 2 313 . 2 2 30 30 ARG CB C 13 30.392 0.1 . 1 . . . . . . . . 5987 2 314 . 2 2 30 30 ARG HB2 H 1 1.894 0.02 . 2 . . . . . . . . 5987 2 315 . 2 2 30 30 ARG CD C 13 43.228 0.1 . 1 . . . . . . . . 5987 2 316 . 2 2 30 30 ARG HD2 H 1 3.230 0.02 . 2 . . . . . . . . 5987 2 317 . 2 2 31 31 GLU N N 15 119.000 0.1 . 1 . . . . . . . . 5987 2 318 . 2 2 31 31 GLU H H 1 7.938 0.02 . 1 . . . . . . . . 5987 2 319 . 2 2 31 31 GLU CA C 13 57.815 0.1 . 1 . . . . . . . . 5987 2 320 . 2 2 31 31 GLU HA H 1 4.181 0.02 . 1 . . . . . . . . 5987 2 321 . 2 2 31 31 GLU CB C 13 29.872 0.1 . 1 . . . . . . . . 5987 2 322 . 2 2 31 31 GLU HB2 H 1 2.081 0.02 . 2 . . . . . . . . 5987 2 323 . 2 2 31 31 GLU CG C 13 36.500 0.1 . 1 . . . . . . . . 5987 2 324 . 2 2 31 31 GLU HG2 H 1 2.382 0.02 . 2 . . . . . . . . 5987 2 325 . 2 2 31 31 GLU HG3 H 1 2.300 0.02 . 2 . . . . . . . . 5987 2 326 . 2 2 32 32 GLN N N 15 119.088 0.1 . 1 . . . . . . . . 5987 2 327 . 2 2 32 32 GLN H H 1 8.171 0.02 . 1 . . . . . . . . 5987 2 328 . 2 2 32 32 GLN CA C 13 56.432 0.1 . 1 . . . . . . . . 5987 2 329 . 2 2 32 32 GLN HA H 1 4.262 0.02 . 1 . . . . . . . . 5987 2 330 . 2 2 32 32 GLN CB C 13 29.035 0.1 . 1 . . . . . . . . 5987 2 331 . 2 2 32 32 GLN HB2 H 1 2.140 0.02 . 2 . . . . . . . . 5987 2 332 . 2 2 32 32 GLN HB3 H 1 2.068 0.02 . 2 . . . . . . . . 5987 2 333 . 2 2 32 32 GLN CG C 13 33.963 0.1 . 1 . . . . . . . . 5987 2 334 . 2 2 32 32 GLN HG2 H 1 2.319 0.02 . 2 . . . . . . . . 5987 2 335 . 2 2 32 32 GLN NE2 N 15 111.787 0.1 . 1 . . . . . . . . 5987 2 336 . 2 2 32 32 GLN HE21 H 1 7.492 0.02 . 2 . . . . . . . . 5987 2 337 . 2 2 32 32 GLN HE22 H 1 6.842 0.02 . 2 . . . . . . . . 5987 2 338 . 2 2 33 33 ALA N N 15 122.908 0.1 . 1 . . . . . . . . 5987 2 339 . 2 2 33 33 ALA H H 1 8.067 0.02 . 1 . . . . . . . . 5987 2 340 . 2 2 33 33 ALA CA C 13 53.249 0.1 . 1 . . . . . . . . 5987 2 341 . 2 2 33 33 ALA HA H 1 4.277 0.02 . 1 . . . . . . . . 5987 2 342 . 2 2 33 33 ALA CB C 13 18.931 0.1 . 1 . . . . . . . . 5987 2 343 . 2 2 33 33 ALA HB1 H 1 1.433 0.02 . 1 . . . . . . . . 5987 2 344 . 2 2 33 33 ALA HB2 H 1 1.433 0.02 . 1 . . . . . . . . 5987 2 345 . 2 2 33 33 ALA HB3 H 1 1.433 0.02 . 1 . . . . . . . . 5987 2 346 . 2 2 34 34 ASN N N 15 115.548 0.1 . 1 . . . . . . . . 5987 2 347 . 2 2 34 34 ASN H H 1 8.168 0.02 . 1 . . . . . . . . 5987 2 348 . 2 2 34 34 ASN CA C 13 53.132 0.1 . 1 . . . . . . . . 5987 2 349 . 2 2 34 34 ASN HA H 1 4.696 0.02 . 1 . . . . . . . . 5987 2 350 . 2 2 34 34 ASN CB C 13 38.767 0.1 . 1 . . . . . . . . 5987 2 351 . 2 2 34 34 ASN HB2 H 1 2.876 0.02 . 2 . . . . . . . . 5987 2 352 . 2 2 34 34 ASN ND2 N 15 112.344 0.1 . 1 . . . . . . . . 5987 2 353 . 2 2 34 34 ASN HD21 H 1 7.618 0.02 . 2 . . . . . . . . 5987 2 354 . 2 2 34 34 ASN HD22 H 1 6.936 0.02 . 2 . . . . . . . . 5987 2 355 . 2 2 35 35 GLY N N 15 108.994 0.1 . 1 . . . . . . . . 5987 2 356 . 2 2 35 35 GLY H H 1 8.264 0.02 . 1 . . . . . . . . 5987 2 357 . 2 2 35 35 GLY CA C 13 45.500 0.1 . 1 . . . . . . . . 5987 2 358 . 2 2 35 35 GLY HA3 H 1 3.903 0.02 . 2 . . . . . . . . 5987 2 359 . 2 2 35 35 GLY HA2 H 1 4.004 0.02 . 2 . . . . . . . . 5987 2 360 . 2 2 36 36 GLU N N 15 120.199 0.1 . 1 . . . . . . . . 5987 2 361 . 2 2 36 36 GLU H H 1 8.126 0.02 . 1 . . . . . . . . 5987 2 362 . 2 2 36 36 GLU CA C 13 55.952 0.1 . 1 . . . . . . . . 5987 2 363 . 2 2 36 36 GLU HA H 1 4.351 0.02 . 1 . . . . . . . . 5987 2 364 . 2 2 36 36 GLU CB C 13 30.358 0.1 . 1 . . . . . . . . 5987 2 365 . 2 2 36 36 GLU HB2 H 1 2.013 0.02 . 2 . . . . . . . . 5987 2 366 . 2 2 36 36 GLU HB3 H 1 1.912 0.02 . 2 . . . . . . . . 5987 2 367 . 2 2 36 36 GLU CG C 13 36.164 0.1 . 1 . . . . . . . . 5987 2 368 . 2 2 36 36 GLU HG2 H 1 2.211 0.02 . 2 . . . . . . . . 5987 2 369 . 2 2 36 36 GLU HG3 H 1 2.156 0.02 . 2 . . . . . . . . 5987 2 370 . 2 2 37 37 VAL N N 15 121.839 0.1 . 1 . . . . . . . . 5987 2 371 . 2 2 37 37 VAL H H 1 8.159 0.02 . 1 . . . . . . . . 5987 2 372 . 2 2 37 37 VAL CA C 13 62.198 0.1 . 1 . . . . . . . . 5987 2 373 . 2 2 37 37 VAL HA H 1 4.092 0.02 . 1 . . . . . . . . 5987 2 374 . 2 2 37 37 VAL CB C 13 32.665 0.1 . 1 . . . . . . . . 5987 2 375 . 2 2 37 37 VAL HB H 1 2.029 0.02 . 1 . . . . . . . . 5987 2 376 . 2 2 37 37 VAL CG2 C 13 20.671 0.1 . 2 . . . . . . . . 5987 2 377 . 2 2 37 37 VAL HG21 H 1 0.919 0.02 . 1 . . . . . . . . 5987 2 378 . 2 2 37 37 VAL HG22 H 1 0.919 0.02 . 1 . . . . . . . . 5987 2 379 . 2 2 37 37 VAL HG23 H 1 0.919 0.02 . 1 . . . . . . . . 5987 2 380 . 2 2 37 37 VAL CG1 C 13 21.169 0.1 . 2 . . . . . . . . 5987 2 381 . 2 2 37 37 VAL HG11 H 1 0.887 0.02 . 1 . . . . . . . . 5987 2 382 . 2 2 37 37 VAL HG12 H 1 0.887 0.02 . 1 . . . . . . . . 5987 2 383 . 2 2 37 37 VAL HG13 H 1 0.887 0.02 . 1 . . . . . . . . 5987 2 384 . 2 2 38 38 ARG N N 15 125.749 0.1 . 1 . . . . . . . . 5987 2 385 . 2 2 38 38 ARG H H 1 8.505 0.02 . 1 . . . . . . . . 5987 2 386 . 2 2 38 38 ARG CA C 13 55.323 0.1 . 1 . . . . . . . . 5987 2 387 . 2 2 38 38 ARG HA H 1 4.348 0.02 . 1 . . . . . . . . 5987 2 388 . 2 2 38 38 ARG CB C 13 30.997 0.1 . 1 . . . . . . . . 5987 2 389 . 2 2 38 38 ARG HB2 H 1 1.796 0.02 . 2 . . . . . . . . 5987 2 390 . 2 2 38 38 ARG HB3 H 1 1.709 0.02 . 2 . . . . . . . . 5987 2 391 . 2 2 38 38 ARG CD C 13 43.252 0.1 . 1 . . . . . . . . 5987 2 392 . 2 2 38 38 ARG HD2 H 1 3.190 0.02 . 2 . . . . . . . . 5987 2 393 . 2 2 39 39 ALA N N 15 126.684 0.1 . 1 . . . . . . . . 5987 2 394 . 2 2 39 39 ALA H H 1 8.445 0.02 . 1 . . . . . . . . 5987 2 395 . 2 2 39 39 ALA CA C 13 52.032 0.1 . 1 . . . . . . . . 5987 2 396 . 2 2 39 39 ALA HA H 1 4.234 0.02 . 1 . . . . . . . . 5987 2 397 . 2 2 39 39 ALA CB C 13 19.159 0.1 . 1 . . . . . . . . 5987 2 398 . 2 2 39 39 ALA HB1 H 1 1.307 0.02 . 1 . . . . . . . . 5987 2 399 . 2 2 39 39 ALA HB2 H 1 1.307 0.02 . 1 . . . . . . . . 5987 2 400 . 2 2 39 39 ALA HB3 H 1 1.307 0.02 . 1 . . . . . . . . 5987 2 401 . 2 2 40 40 CYS N N 15 124.296 0.1 . 1 . . . . . . . . 5987 2 402 . 2 2 40 40 CYS H H 1 8.493 0.02 . 1 . . . . . . . . 5987 2 403 . 2 2 40 40 CYS CA C 13 59.952 0.1 . 1 . . . . . . . . 5987 2 404 . 2 2 40 40 CYS HA H 1 4.294 0.02 . 1 . . . . . . . . 5987 2 405 . 2 2 40 40 CYS CB C 13 29.990 0.1 . 1 . . . . . . . . 5987 2 406 . 2 2 40 40 CYS HB2 H 1 2.812 0.02 . 2 . . . . . . . . 5987 2 407 . 2 2 41 41 SER N N 15 123.434 0.1 . 1 . . . . . . . . 5987 2 408 . 2 2 41 41 SER H H 1 8.676 0.02 . 1 . . . . . . . . 5987 2 409 . 2 2 41 41 SER CA C 13 58.058 0.1 . 1 . . . . . . . . 5987 2 410 . 2 2 41 41 SER HA H 1 4.511 0.02 . 1 . . . . . . . . 5987 2 411 . 2 2 41 41 SER CB C 13 63.670 0.1 . 1 . . . . . . . . 5987 2 412 . 2 2 41 41 SER HB2 H 1 4.023 0.02 . 2 . . . . . . . . 5987 2 413 . 2 2 41 41 SER HB3 H 1 3.830 0.02 . 2 . . . . . . . . 5987 2 414 . 2 2 42 42 LEU CA C 13 53.513 0.1 . 1 . . . . . . . . 5987 2 415 . 2 2 42 42 LEU HA H 1 4.489 0.02 . 1 . . . . . . . . 5987 2 416 . 2 2 42 42 LEU CB C 13 41.391 0.1 . 1 . . . . . . . . 5987 2 417 . 2 2 42 42 LEU HB2 H 1 1.325 0.02 . 2 . . . . . . . . 5987 2 418 . 2 2 42 42 LEU CG C 13 27.181 0.1 . 1 . . . . . . . . 5987 2 419 . 2 2 42 42 LEU HG H 1 1.476 0.02 . 1 . . . . . . . . 5987 2 420 . 2 2 42 42 LEU CD1 C 13 24.264 0.1 . 2 . . . . . . . . 5987 2 421 . 2 2 42 42 LEU HD11 H 1 0.371 0.02 . 1 . . . . . . . . 5987 2 422 . 2 2 42 42 LEU HD12 H 1 0.371 0.02 . 1 . . . . . . . . 5987 2 423 . 2 2 42 42 LEU HD13 H 1 0.371 0.02 . 1 . . . . . . . . 5987 2 424 . 2 2 42 42 LEU CD2 C 13 23.803 0.1 . 2 . . . . . . . . 5987 2 425 . 2 2 42 42 LEU HD21 H 1 0.388 0.02 . 1 . . . . . . . . 5987 2 426 . 2 2 42 42 LEU HD22 H 1 0.388 0.02 . 1 . . . . . . . . 5987 2 427 . 2 2 42 42 LEU HD23 H 1 0.388 0.02 . 1 . . . . . . . . 5987 2 428 . 2 2 43 43 PRO CA C 13 62.463 0.1 . 1 . . . . . . . . 5987 2 429 . 2 2 43 43 PRO HA H 1 4.660 0.02 . 1 . . . . . . . . 5987 2 430 . 2 2 43 43 PRO CB C 13 34.743 0.1 . 1 . . . . . . . . 5987 2 431 . 2 2 43 43 PRO HB2 H 1 2.362 0.02 . 2 . . . . . . . . 5987 2 432 . 2 2 43 43 PRO HB3 H 1 2.082 0.02 . 2 . . . . . . . . 5987 2 433 . 2 2 43 43 PRO CG C 13 24.799 0.1 . 1 . . . . . . . . 5987 2 434 . 2 2 43 43 PRO HG2 H 1 1.898 0.02 . 2 . . . . . . . . 5987 2 435 . 2 2 43 43 PRO HG3 H 1 1.811 0.02 . 2 . . . . . . . . 5987 2 436 . 2 2 43 43 PRO CD C 13 50.262 0.1 . 1 . . . . . . . . 5987 2 437 . 2 2 43 43 PRO HD2 H 1 3.561 0.02 . 2 . . . . . . . . 5987 2 438 . 2 2 43 43 PRO HD3 H 1 3.521 0.02 . 2 . . . . . . . . 5987 2 439 . 2 2 44 44 HIS N N 15 115.968 0.1 . 1 . . . . . . . . 5987 2 440 . 2 2 44 44 HIS H H 1 8.480 0.02 . 1 . . . . . . . . 5987 2 441 . 2 2 44 44 HIS CD2 C 13 117.661 0.1 . 1 . . . . . . . . 5987 2 442 . 2 2 44 44 HIS HD2 H 1 6.912 0.02 . 2 . . . . . . . . 5987 2 443 . 2 2 44 44 HIS CE1 C 13 138.346 0.1 . 1 . . . . . . . . 5987 2 444 . 2 2 44 44 HIS HE1 H 1 7.676 0.02 . 1 . . . . . . . . 5987 2 445 . 2 2 45 45 CYS N N 15 123.802 0.1 . 1 . . . . . . . . 5987 2 446 . 2 2 45 45 CYS H H 1 7.505 0.02 . 1 . . . . . . . . 5987 2 447 . 2 2 45 45 CYS CA C 13 63.910 0.1 . 1 . . . . . . . . 5987 2 448 . 2 2 45 45 CYS HA H 1 3.995 0.02 . 1 . . . . . . . . 5987 2 449 . 2 2 45 45 CYS CB C 13 29.217 0.1 . 1 . . . . . . . . 5987 2 450 . 2 2 45 45 CYS HB2 H 1 3.127 0.02 . 2 . . . . . . . . 5987 2 451 . 2 2 45 45 CYS HB3 H 1 2.741 0.02 . 2 . . . . . . . . 5987 2 452 . 2 2 46 46 ARG CA C 13 59.165 0.1 . 1 . . . . . . . . 5987 2 453 . 2 2 46 46 ARG HA H 1 3.925 0.02 . 1 . . . . . . . . 5987 2 454 . 2 2 46 46 ARG CB C 13 28.570 0.1 . 1 . . . . . . . . 5987 2 455 . 2 2 46 46 ARG HB2 H 1 1.987 0.02 . 2 . . . . . . . . 5987 2 456 . 2 2 46 46 ARG CG C 13 26.123 0.1 . 1 . . . . . . . . 5987 2 457 . 2 2 46 46 ARG HG2 H 1 1.769 0.02 . 2 . . . . . . . . 5987 2 458 . 2 2 46 46 ARG HG3 H 1 1.687 0.02 . 2 . . . . . . . . 5987 2 459 . 2 2 46 46 ARG CD C 13 42.556 0.1 . 1 . . . . . . . . 5987 2 460 . 2 2 46 46 ARG HD2 H 1 3.287 0.02 . 2 . . . . . . . . 5987 2 461 . 2 2 46 46 ARG HD3 H 1 3.250 0.02 . 2 . . . . . . . . 5987 2 462 . 2 2 47 47 THR N N 15 112.185 0.1 . 1 . . . . . . . . 5987 2 463 . 2 2 47 47 THR H H 1 7.815 0.02 . 1 . . . . . . . . 5987 2 464 . 2 2 47 47 THR CA C 13 65.940 0.1 . 1 . . . . . . . . 5987 2 465 . 2 2 47 47 THR HA H 1 3.939 0.02 . 1 . . . . . . . . 5987 2 466 . 2 2 47 47 THR CB C 13 68.306 0.1 . 1 . . . . . . . . 5987 2 467 . 2 2 47 47 THR HB H 1 4.327 0.02 . 1 . . . . . . . . 5987 2 468 . 2 2 47 47 THR CG2 C 13 21.892 0.1 . 1 . . . . . . . . 5987 2 469 . 2 2 47 47 THR HG21 H 1 1.234 0.02 . 1 . . . . . . . . 5987 2 470 . 2 2 47 47 THR HG22 H 1 1.234 0.02 . 1 . . . . . . . . 5987 2 471 . 2 2 47 47 THR HG23 H 1 1.234 0.02 . 1 . . . . . . . . 5987 2 472 . 2 2 48 48 MET N N 15 114.493 0.1 . 1 . . . . . . . . 5987 2 473 . 2 2 48 48 MET H H 1 7.465 0.02 . 1 . . . . . . . . 5987 2 474 . 2 2 48 48 MET CA C 13 56.731 0.1 . 1 . . . . . . . . 5987 2 475 . 2 2 48 48 MET HA H 1 4.509 0.02 . 1 . . . . . . . . 5987 2 476 . 2 2 48 48 MET CB C 13 32.210 0.1 . 1 . . . . . . . . 5987 2 477 . 2 2 48 48 MET HB2 H 1 2.213 0.02 . 2 . . . . . . . . 5987 2 478 . 2 2 48 48 MET HB3 H 1 1.838 0.02 . 2 . . . . . . . . 5987 2 479 . 2 2 48 48 MET CG C 13 33.836 0.1 . 1 . . . . . . . . 5987 2 480 . 2 2 48 48 MET HG2 H 1 2.586 0.02 . 2 . . . . . . . . 5987 2 481 . 2 2 48 48 MET CE C 13 18.180 0.1 . 1 . . . . . . . . 5987 2 482 . 2 2 48 48 MET HE1 H 1 1.614 0.02 . 1 . . . . . . . . 5987 2 483 . 2 2 48 48 MET HE2 H 1 1.614 0.02 . 1 . . . . . . . . 5987 2 484 . 2 2 48 48 MET HE3 H 1 1.614 0.02 . 1 . . . . . . . . 5987 2 485 . 2 2 49 49 LYS N N 15 122.495 0.1 . 1 . . . . . . . . 5987 2 486 . 2 2 49 49 LYS H H 1 9.267 0.02 . 1 . . . . . . . . 5987 2 487 . 2 2 49 49 LYS CA C 13 61.116 0.1 . 1 . . . . . . . . 5987 2 488 . 2 2 49 49 LYS HA H 1 3.873 0.02 . 1 . . . . . . . . 5987 2 489 . 2 2 49 49 LYS CB C 13 32.835 0.1 . 1 . . . . . . . . 5987 2 490 . 2 2 49 49 LYS HB2 H 1 2.042 0.02 . 2 . . . . . . . . 5987 2 491 . 2 2 49 49 LYS CG C 13 27.454 0.1 . 1 . . . . . . . . 5987 2 492 . 2 2 49 49 LYS HG2 H 1 1.209 0.02 . 2 . . . . . . . . 5987 2 493 . 2 2 49 49 LYS CD C 13 30.070 0.1 . 1 . . . . . . . . 5987 2 494 . 2 2 49 49 LYS HD2 H 1 1.648 0.02 . 2 . . . . . . . . 5987 2 495 . 2 2 49 49 LYS CE C 13 42.003 0.1 . 1 . . . . . . . . 5987 2 496 . 2 2 49 49 LYS HE2 H 1 3.210 0.02 . 2 . . . . . . . . 5987 2 497 . 2 2 49 49 LYS HE3 H 1 2.752 0.02 . 2 . . . . . . . . 5987 2 498 . 2 2 50 50 ASN N N 15 117.680 0.1 . 1 . . . . . . . . 5987 2 499 . 2 2 50 50 ASN H H 1 8.151 0.02 . 1 . . . . . . . . 5987 2 500 . 2 2 50 50 ASN CA C 13 55.881 0.1 . 1 . . . . . . . . 5987 2 501 . 2 2 50 50 ASN HA H 1 4.582 0.02 . 1 . . . . . . . . 5987 2 502 . 2 2 50 50 ASN CB C 13 37.205 0.1 . 1 . . . . . . . . 5987 2 503 . 2 2 50 50 ASN HB2 H 1 3.183 0.02 . 2 . . . . . . . . 5987 2 504 . 2 2 50 50 ASN HB3 H 1 2.933 0.02 . 2 . . . . . . . . 5987 2 505 . 2 2 50 50 ASN ND2 N 15 112.210 0.1 . 1 . . . . . . . . 5987 2 506 . 2 2 50 50 ASN HD21 H 1 6.968 0.02 . 2 . . . . . . . . 5987 2 507 . 2 2 50 50 ASN HD22 H 1 7.815 0.02 . 2 . . . . . . . . 5987 2 508 . 2 2 51 51 VAL N N 15 124.262 0.1 . 1 . . . . . . . . 5987 2 509 . 2 2 51 51 VAL H H 1 8.058 0.02 . 1 . . . . . . . . 5987 2 510 . 2 2 51 51 VAL CA C 13 67.122 0.1 . 1 . . . . . . . . 5987 2 511 . 2 2 51 51 VAL HA H 1 3.775 0.02 . 1 . . . . . . . . 5987 2 512 . 2 2 51 51 VAL CB C 13 31.594 0.1 . 1 . . . . . . . . 5987 2 513 . 2 2 51 51 VAL HB H 1 2.411 0.02 . 1 . . . . . . . . 5987 2 514 . 2 2 51 51 VAL CG2 C 13 21.055 0.1 . 2 . . . . . . . . 5987 2 515 . 2 2 51 51 VAL HG21 H 1 0.989 0.02 . 1 . . . . . . . . 5987 2 516 . 2 2 51 51 VAL HG22 H 1 0.989 0.02 . 1 . . . . . . . . 5987 2 517 . 2 2 51 51 VAL HG23 H 1 0.989 0.02 . 1 . . . . . . . . 5987 2 518 . 2 2 51 51 VAL CG1 C 13 23.602 0.1 . 2 . . . . . . . . 5987 2 519 . 2 2 51 51 VAL HG11 H 1 1.215 0.02 . 1 . . . . . . . . 5987 2 520 . 2 2 51 51 VAL HG12 H 1 1.215 0.02 . 1 . . . . . . . . 5987 2 521 . 2 2 51 51 VAL HG13 H 1 1.215 0.02 . 1 . . . . . . . . 5987 2 522 . 2 2 52 52 LEU N N 15 121.524 0.1 . 1 . . . . . . . . 5987 2 523 . 2 2 52 52 LEU H H 1 8.688 0.02 . 1 . . . . . . . . 5987 2 524 . 2 2 52 52 LEU CA C 13 58.343 0.1 . 1 . . . . . . . . 5987 2 525 . 2 2 52 52 LEU HA H 1 4.092 0.02 . 1 . . . . . . . . 5987 2 526 . 2 2 52 52 LEU CB C 13 41.352 0.1 . 1 . . . . . . . . 5987 2 527 . 2 2 52 52 LEU HB2 H 1 2.013 0.02 . 2 . . . . . . . . 5987 2 528 . 2 2 52 52 LEU HB3 H 1 1.500 0.02 . 2 . . . . . . . . 5987 2 529 . 2 2 52 52 LEU CG C 13 26.964 0.1 . 1 . . . . . . . . 5987 2 530 . 2 2 52 52 LEU HG H 1 1.825 0.02 . 1 . . . . . . . . 5987 2 531 . 2 2 52 52 LEU CD1 C 13 23.023 0.1 . 2 . . . . . . . . 5987 2 532 . 2 2 52 52 LEU HD11 H 1 0.873 0.02 . 1 . . . . . . . . 5987 2 533 . 2 2 52 52 LEU HD12 H 1 0.873 0.02 . 1 . . . . . . . . 5987 2 534 . 2 2 52 52 LEU HD13 H 1 0.873 0.02 . 1 . . . . . . . . 5987 2 535 . 2 2 52 52 LEU CD2 C 13 25.499 0.1 . 2 . . . . . . . . 5987 2 536 . 2 2 52 52 LEU HD21 H 1 0.829 0.02 . 1 . . . . . . . . 5987 2 537 . 2 2 52 52 LEU HD22 H 1 0.829 0.02 . 1 . . . . . . . . 5987 2 538 . 2 2 52 52 LEU HD23 H 1 0.829 0.02 . 1 . . . . . . . . 5987 2 539 . 2 2 53 53 ASN N N 15 117.301 0.1 . 1 . . . . . . . . 5987 2 540 . 2 2 53 53 ASN H H 1 8.215 0.02 . 1 . . . . . . . . 5987 2 541 . 2 2 53 53 ASN CA C 13 55.989 0.1 . 1 . . . . . . . . 5987 2 542 . 2 2 53 53 ASN HA H 1 4.528 0.02 . 1 . . . . . . . . 5987 2 543 . 2 2 53 53 ASN CB C 13 38.165 0.1 . 1 . . . . . . . . 5987 2 544 . 2 2 53 53 ASN HB2 H 1 2.952 0.02 . 2 . . . . . . . . 5987 2 545 . 2 2 53 53 ASN ND2 N 15 112.692 0.1 . 1 . . . . . . . . 5987 2 546 . 2 2 53 53 ASN HD21 H 1 7.801 0.02 . 2 . . . . . . . . 5987 2 547 . 2 2 53 53 ASN HD22 H 1 7.102 0.02 . 2 . . . . . . . . 5987 2 548 . 2 2 54 54 HIS N N 15 120.859 0.1 . 1 . . . . . . . . 5987 2 549 . 2 2 54 54 HIS H H 1 8.160 0.02 . 1 . . . . . . . . 5987 2 550 . 2 2 54 54 HIS CA C 13 59.403 0.1 . 1 . . . . . . . . 5987 2 551 . 2 2 54 54 HIS HA H 1 4.347 0.02 . 1 . . . . . . . . 5987 2 552 . 2 2 54 54 HIS CB C 13 27.478 0.1 . 1 . . . . . . . . 5987 2 553 . 2 2 54 54 HIS HB2 H 1 3.414 0.02 . 2 . . . . . . . . 5987 2 554 . 2 2 54 54 HIS HB3 H 1 3.641 0.02 . 2 . . . . . . . . 5987 2 555 . 2 2 54 54 HIS CD2 C 13 128.817 0.1 . 1 . . . . . . . . 5987 2 556 . 2 2 54 54 HIS HD2 H 1 7.379 0.02 . 2 . . . . . . . . 5987 2 557 . 2 2 54 54 HIS CE1 C 13 139.202 0.1 . 1 . . . . . . . . 5987 2 558 . 2 2 54 54 HIS HE1 H 1 8.042 0.02 . 1 . . . . . . . . 5987 2 559 . 2 2 55 55 MET N N 15 119.333 0.1 . 1 . . . . . . . . 5987 2 560 . 2 2 55 55 MET H H 1 9.138 0.02 . 1 . . . . . . . . 5987 2 561 . 2 2 55 55 MET CA C 13 59.374 0.1 . 1 . . . . . . . . 5987 2 562 . 2 2 55 55 MET HA H 1 3.700 0.02 . 1 . . . . . . . . 5987 2 563 . 2 2 55 55 MET CB C 13 34.196 0.1 . 1 . . . . . . . . 5987 2 564 . 2 2 55 55 MET HB2 H 1 2.161 0.02 . 2 . . . . . . . . 5987 2 565 . 2 2 55 55 MET HB3 H 1 2.409 0.02 . 2 . . . . . . . . 5987 2 566 . 2 2 55 55 MET CG C 13 31.861 0.1 . 1 . . . . . . . . 5987 2 567 . 2 2 55 55 MET HG2 H 1 2.923 0.02 . 2 . . . . . . . . 5987 2 568 . 2 2 55 55 MET HG3 H 1 2.870 0.02 . 2 . . . . . . . . 5987 2 569 . 2 2 55 55 MET CE C 13 16.506 0.1 . 1 . . . . . . . . 5987 2 570 . 2 2 55 55 MET HE1 H 1 1.994 0.02 . 1 . . . . . . . . 5987 2 571 . 2 2 55 55 MET HE2 H 1 1.994 0.02 . 1 . . . . . . . . 5987 2 572 . 2 2 55 55 MET HE3 H 1 1.994 0.02 . 1 . . . . . . . . 5987 2 573 . 2 2 56 56 THR N N 15 110.647 0.1 . 1 . . . . . . . . 5987 2 574 . 2 2 56 56 THR H H 1 7.532 0.02 . 1 . . . . . . . . 5987 2 575 . 2 2 56 56 THR CA C 13 65.080 0.1 . 1 . . . . . . . . 5987 2 576 . 2 2 56 56 THR HA H 1 3.916 0.02 . 1 . . . . . . . . 5987 2 577 . 2 2 56 56 THR CB C 13 69.187 0.1 . 1 . . . . . . . . 5987 2 578 . 2 2 56 56 THR HB H 1 4.016 0.02 . 1 . . . . . . . . 5987 2 579 . 2 2 56 56 THR CG2 C 13 21.402 0.1 . 1 . . . . . . . . 5987 2 580 . 2 2 56 56 THR HG21 H 1 1.110 0.02 . 1 . . . . . . . . 5987 2 581 . 2 2 56 56 THR HG22 H 1 1.110 0.02 . 1 . . . . . . . . 5987 2 582 . 2 2 56 56 THR HG23 H 1 1.110 0.02 . 1 . . . . . . . . 5987 2 583 . 2 2 57 57 HIS N N 15 115.672 0.1 . 1 . . . . . . . . 5987 2 584 . 2 2 57 57 HIS H H 1 7.076 0.02 . 1 . . . . . . . . 5987 2 585 . 2 2 57 57 HIS CA C 13 54.646 0.1 . 1 . . . . . . . . 5987 2 586 . 2 2 57 57 HIS HA H 1 4.840 0.02 . 1 . . . . . . . . 5987 2 587 . 2 2 57 57 HIS CB C 13 29.899 0.1 . 1 . . . . . . . . 5987 2 588 . 2 2 57 57 HIS HB2 H 1 3.043 0.02 . 2 . . . . . . . . 5987 2 589 . 2 2 57 57 HIS HB3 H 1 3.368 0.02 . 2 . . . . . . . . 5987 2 590 . 2 2 57 57 HIS CD2 C 13 120.639 0.1 . 1 . . . . . . . . 5987 2 591 . 2 2 57 57 HIS HD2 H 1 7.269 0.02 . 2 . . . . . . . . 5987 2 592 . 2 2 57 57 HIS CE1 C 13 136.888 0.1 . 1 . . . . . . . . 5987 2 593 . 2 2 57 57 HIS HE1 H 1 8.270 0.02 . 1 . . . . . . . . 5987 2 594 . 2 2 58 58 CYS N N 15 124.102 0.1 . 1 . . . . . . . . 5987 2 595 . 2 2 58 58 CYS H H 1 7.140 0.02 . 1 . . . . . . . . 5987 2 596 . 2 2 58 58 CYS CA C 13 60.571 0.1 . 1 . . . . . . . . 5987 2 597 . 2 2 58 58 CYS HA H 1 4.026 0.02 . 1 . . . . . . . . 5987 2 598 . 2 2 58 58 CYS CB C 13 29.589 0.1 . 1 . . . . . . . . 5987 2 599 . 2 2 58 58 CYS HB2 H 1 2.488 0.02 . 2 . . . . . . . . 5987 2 600 . 2 2 58 58 CYS HB3 H 1 1.942 0.02 . 2 . . . . . . . . 5987 2 601 . 2 2 59 59 GLN N N 15 129.013 0.1 . 1 . . . . . . . . 5987 2 602 . 2 2 59 59 GLN H H 1 9.156 0.02 . 1 . . . . . . . . 5987 2 603 . 2 2 59 59 GLN CA C 13 54.969 0.1 . 1 . . . . . . . . 5987 2 604 . 2 2 59 59 GLN HA H 1 4.666 0.02 . 1 . . . . . . . . 5987 2 605 . 2 2 59 59 GLN CB C 13 29.413 0.1 . 1 . . . . . . . . 5987 2 606 . 2 2 59 59 GLN HB2 H 1 2.437 0.02 . 2 . . . . . . . . 5987 2 607 . 2 2 59 59 GLN HB3 H 1 1.870 0.02 . 2 . . . . . . . . 5987 2 608 . 2 2 59 59 GLN CG C 13 33.636 0.1 . 1 . . . . . . . . 5987 2 609 . 2 2 59 59 GLN HG2 H 1 2.431 0.02 . 2 . . . . . . . . 5987 2 610 . 2 2 59 59 GLN HG3 H 1 2.375 0.02 . 2 . . . . . . . . 5987 2 611 . 2 2 59 59 GLN NE2 N 15 112.670 0.1 . 1 . . . . . . . . 5987 2 612 . 2 2 60 60 ALA N N 15 125.172 0.1 . 1 . . . . . . . . 5987 2 613 . 2 2 60 60 ALA H H 1 8.701 0.02 . 1 . . . . . . . . 5987 2 614 . 2 2 60 60 ALA CA C 13 53.032 0.1 . 1 . . . . . . . . 5987 2 615 . 2 2 60 60 ALA HA H 1 4.385 0.02 . 1 . . . . . . . . 5987 2 616 . 2 2 60 60 ALA CB C 13 19.673 0.1 . 1 . . . . . . . . 5987 2 617 . 2 2 60 60 ALA HB1 H 1 1.440 0.02 . 1 . . . . . . . . 5987 2 618 . 2 2 60 60 ALA HB2 H 1 1.440 0.02 . 1 . . . . . . . . 5987 2 619 . 2 2 60 60 ALA HB3 H 1 1.440 0.02 . 1 . . . . . . . . 5987 2 620 . 2 2 61 61 GLY N N 15 108.496 0.1 . 1 . . . . . . . . 5987 2 621 . 2 2 61 61 GLY H H 1 8.175 0.02 . 1 . . . . . . . . 5987 2 622 . 2 2 61 61 GLY CA C 13 46.094 0.1 . 1 . . . . . . . . 5987 2 623 . 2 2 61 61 GLY HA3 H 1 3.582 0.02 . 2 . . . . . . . . 5987 2 624 . 2 2 61 61 GLY HA2 H 1 3.940 0.02 . 2 . . . . . . . . 5987 2 625 . 2 2 62 62 LYS N N 15 126.055 0.1 . 1 . . . . . . . . 5987 2 626 . 2 2 62 62 LYS H H 1 9.040 0.02 . 1 . . . . . . . . 5987 2 627 . 2 2 62 62 LYS CA C 13 58.283 0.1 . 1 . . . . . . . . 5987 2 628 . 2 2 62 62 LYS HA H 1 4.096 0.02 . 1 . . . . . . . . 5987 2 629 . 2 2 62 62 LYS CB C 13 32.054 0.1 . 1 . . . . . . . . 5987 2 630 . 2 2 62 62 LYS HB2 H 1 1.854 0.02 . 2 . . . . . . . . 5987 2 631 . 2 2 62 62 LYS CE C 13 41.778 0.1 . 1 . . . . . . . . 5987 2 632 . 2 2 62 62 LYS HE2 H 1 2.967 0.02 . 2 . . . . . . . . 5987 2 633 . 2 2 63 63 ALA N N 15 119.803 0.1 . 1 . . . . . . . . 5987 2 634 . 2 2 63 63 ALA H H 1 7.693 0.02 . 1 . . . . . . . . 5987 2 635 . 2 2 63 63 ALA CA C 13 51.357 0.1 . 1 . . . . . . . . 5987 2 636 . 2 2 63 63 ALA HA H 1 4.473 0.02 . 1 . . . . . . . . 5987 2 637 . 2 2 63 63 ALA CB C 13 18.782 0.1 . 1 . . . . . . . . 5987 2 638 . 2 2 63 63 ALA HB1 H 1 1.480 0.02 . 1 . . . . . . . . 5987 2 639 . 2 2 63 63 ALA HB2 H 1 1.480 0.02 . 1 . . . . . . . . 5987 2 640 . 2 2 63 63 ALA HB3 H 1 1.480 0.02 . 1 . . . . . . . . 5987 2 641 . 2 2 64 64 CYS N N 15 122.359 0.1 . 1 . . . . . . . . 5987 2 642 . 2 2 64 64 CYS H H 1 7.534 0.02 . 1 . . . . . . . . 5987 2 643 . 2 2 64 64 CYS CA C 13 62.428 0.1 . 1 . . . . . . . . 5987 2 644 . 2 2 64 64 CYS HA H 1 3.852 0.02 . 1 . . . . . . . . 5987 2 645 . 2 2 64 64 CYS CB C 13 29.632 0.1 . 1 . . . . . . . . 5987 2 646 . 2 2 64 64 CYS HB2 H 1 2.898 0.02 . 2 . . . . . . . . 5987 2 647 . 2 2 64 64 CYS HB3 H 1 2.855 0.02 . 2 . . . . . . . . 5987 2 648 . 2 2 65 65 GLN N N 15 129.804 0.1 . 1 . . . . . . . . 5987 2 649 . 2 2 65 65 GLN H H 1 9.102 0.02 . 1 . . . . . . . . 5987 2 650 . 2 2 65 65 GLN CA C 13 55.562 0.1 . 1 . . . . . . . . 5987 2 651 . 2 2 65 65 GLN HA H 1 4.564 0.02 . 1 . . . . . . . . 5987 2 652 . 2 2 65 65 GLN CB C 13 29.246 0.1 . 1 . . . . . . . . 5987 2 653 . 2 2 65 65 GLN HB2 H 1 1.919 0.02 . 2 . . . . . . . . 5987 2 654 . 2 2 65 65 GLN HB3 H 1 2.453 0.02 . 2 . . . . . . . . 5987 2 655 . 2 2 65 65 GLN CG C 13 33.964 0.1 . 1 . . . . . . . . 5987 2 656 . 2 2 65 65 GLN HG2 H 1 2.470 0.02 . 2 . . . . . . . . 5987 2 657 . 2 2 65 65 GLN HG3 H 1 2.393 0.02 . 2 . . . . . . . . 5987 2 658 . 2 2 65 65 GLN NE2 N 15 113.178 0.1 . 1 . . . . . . . . 5987 2 659 . 2 2 65 65 GLN HE21 H 1 7.404 0.02 . 2 . . . . . . . . 5987 2 660 . 2 2 65 65 GLN HE22 H 1 6.776 0.02 . 2 . . . . . . . . 5987 2 661 . 2 2 66 66 VAL N N 15 127.207 0.1 . 1 . . . . . . . . 5987 2 662 . 2 2 66 66 VAL H H 1 9.343 0.02 . 1 . . . . . . . . 5987 2 663 . 2 2 66 66 VAL CA C 13 64.047 0.1 . 1 . . . . . . . . 5987 2 664 . 2 2 66 66 VAL HA H 1 3.684 0.02 . 1 . . . . . . . . 5987 2 665 . 2 2 66 66 VAL CB C 13 30.928 0.1 . 1 . . . . . . . . 5987 2 666 . 2 2 66 66 VAL HB H 1 1.964 0.02 . 1 . . . . . . . . 5987 2 667 . 2 2 66 66 VAL CG2 C 13 22.665 0.1 . 2 . . . . . . . . 5987 2 668 . 2 2 66 66 VAL HG21 H 1 0.640 0.02 . 1 . . . . . . . . 5987 2 669 . 2 2 66 66 VAL HG22 H 1 0.640 0.02 . 1 . . . . . . . . 5987 2 670 . 2 2 66 66 VAL HG23 H 1 0.640 0.02 . 1 . . . . . . . . 5987 2 671 . 2 2 66 66 VAL CG1 C 13 20.004 0.1 . 2 . . . . . . . . 5987 2 672 . 2 2 66 66 VAL HG11 H 1 0.445 0.02 . 1 . . . . . . . . 5987 2 673 . 2 2 66 66 VAL HG12 H 1 0.445 0.02 . 1 . . . . . . . . 5987 2 674 . 2 2 66 66 VAL HG13 H 1 0.445 0.02 . 1 . . . . . . . . 5987 2 675 . 2 2 67 67 ALA N N 15 134.300 0.1 . 1 . . . . . . . . 5987 2 676 . 2 2 67 67 ALA H H 1 8.725 0.02 . 1 . . . . . . . . 5987 2 677 . 2 2 67 67 ALA CA C 13 54.020 0.1 . 1 . . . . . . . . 5987 2 678 . 2 2 67 67 ALA HA H 1 3.591 0.02 . 1 . . . . . . . . 5987 2 679 . 2 2 67 67 ALA CB C 13 17.446 0.1 . 1 . . . . . . . . 5987 2 680 . 2 2 67 67 ALA HB1 H 1 0.879 0.02 . 1 . . . . . . . . 5987 2 681 . 2 2 67 67 ALA HB2 H 1 0.879 0.02 . 1 . . . . . . . . 5987 2 682 . 2 2 67 67 ALA HB3 H 1 0.879 0.02 . 1 . . . . . . . . 5987 2 683 . 2 2 68 68 HIS N N 15 111.424 0.1 . 1 . . . . . . . . 5987 2 684 . 2 2 68 68 HIS H H 1 7.958 0.02 . 1 . . . . . . . . 5987 2 685 . 2 2 68 68 HIS CA C 13 56.954 0.1 . 1 . . . . . . . . 5987 2 686 . 2 2 68 68 HIS HA H 1 4.289 0.02 . 1 . . . . . . . . 5987 2 687 . 2 2 68 68 HIS CB C 13 29.779 0.1 . 1 . . . . . . . . 5987 2 688 . 2 2 68 68 HIS HB2 H 1 3.688 0.02 . 2 . . . . . . . . 5987 2 689 . 2 2 68 68 HIS HB3 H 1 2.767 0.02 . 2 . . . . . . . . 5987 2 690 . 2 2 68 68 HIS CD2 C 13 117.829 0.1 . 1 . . . . . . . . 5987 2 691 . 2 2 68 68 HIS HD2 H 1 6.573 0.02 . 2 . . . . . . . . 5987 2 692 . 2 2 68 68 HIS CE1 C 13 138.449 0.1 . 1 . . . . . . . . 5987 2 693 . 2 2 68 68 HIS HE1 H 1 7.497 0.02 . 1 . . . . . . . . 5987 2 694 . 2 2 69 69 CYS N N 15 126.770 0.1 . 1 . . . . . . . . 5987 2 695 . 2 2 69 69 CYS H H 1 7.981 0.02 . 1 . . . . . . . . 5987 2 696 . 2 2 69 69 CYS CA C 13 64.148 0.1 . 1 . . . . . . . . 5987 2 697 . 2 2 69 69 CYS HA H 1 4.094 0.02 . 1 . . . . . . . . 5987 2 698 . 2 2 69 69 CYS CB C 13 29.784 0.1 . 1 . . . . . . . . 5987 2 699 . 2 2 69 69 CYS HB2 H 1 3.329 0.02 . 2 . . . . . . . . 5987 2 700 . 2 2 69 69 CYS HB3 H 1 2.527 0.02 . 2 . . . . . . . . 5987 2 701 . 2 2 70 70 ALA N N 15 119.437 0.1 . 1 . . . . . . . . 5987 2 702 . 2 2 70 70 ALA H H 1 8.930 0.02 . 1 . . . . . . . . 5987 2 703 . 2 2 70 70 ALA CA C 13 55.284 0.1 . 1 . . . . . . . . 5987 2 704 . 2 2 70 70 ALA HA H 1 4.253 0.02 . 1 . . . . . . . . 5987 2 705 . 2 2 70 70 ALA CB C 13 18.934 0.1 . 1 . . . . . . . . 5987 2 706 . 2 2 70 70 ALA HB1 H 1 1.511 0.02 . 1 . . . . . . . . 5987 2 707 . 2 2 70 70 ALA HB2 H 1 1.511 0.02 . 1 . . . . . . . . 5987 2 708 . 2 2 70 70 ALA HB3 H 1 1.511 0.02 . 1 . . . . . . . . 5987 2 709 . 2 2 71 71 SER N N 15 114.706 0.1 . 1 . . . . . . . . 5987 2 710 . 2 2 71 71 SER H H 1 9.203 0.02 . 1 . . . . . . . . 5987 2 711 . 2 2 71 71 SER CB C 13 61.189 0.1 . 1 . . . . . . . . 5987 2 712 . 2 2 71 71 SER HB2 H 1 4.002 0.02 . 2 . . . . . . . . 5987 2 713 . 2 2 71 71 SER HB3 H 1 3.634 0.02 . 2 . . . . . . . . 5987 2 714 . 2 2 72 72 SER N N 15 120.838 0.1 . 1 . . . . . . . . 5987 2 715 . 2 2 72 72 SER H H 1 7.828 0.02 . 1 . . . . . . . . 5987 2 716 . 2 2 72 72 SER CA C 13 63.870 0.1 . 1 . . . . . . . . 5987 2 717 . 2 2 72 72 SER HA H 1 4.040 0.02 . 1 . . . . . . . . 5987 2 718 . 2 2 72 72 SER CB C 13 62.156 0.1 . 1 . . . . . . . . 5987 2 719 . 2 2 72 72 SER HB2 H 1 3.603 0.02 . 2 . . . . . . . . 5987 2 720 . 2 2 72 72 SER HB3 H 1 4.441 0.02 . 2 . . . . . . . . 5987 2 721 . 2 2 73 73 ARG N N 15 123.008 0.1 . 1 . . . . . . . . 5987 2 722 . 2 2 73 73 ARG H H 1 8.876 0.02 . 1 . . . . . . . . 5987 2 723 . 2 2 73 73 ARG CA C 13 60.248 0.1 . 1 . . . . . . . . 5987 2 724 . 2 2 73 73 ARG HA H 1 3.817 0.02 . 1 . . . . . . . . 5987 2 725 . 2 2 73 73 ARG CB C 13 30.192 0.1 . 1 . . . . . . . . 5987 2 726 . 2 2 73 73 ARG HB2 H 1 2.070 0.02 . 2 . . . . . . . . 5987 2 727 . 2 2 73 73 ARG HB3 H 1 1.935 0.02 . 2 . . . . . . . . 5987 2 728 . 2 2 73 73 ARG CD C 13 43.194 0.1 . 1 . . . . . . . . 5987 2 729 . 2 2 73 73 ARG HD2 H 1 3.318 0.02 . 2 . . . . . . . . 5987 2 730 . 2 2 73 73 ARG HD3 H 1 3.130 0.02 . 2 . . . . . . . . 5987 2 731 . 2 2 74 74 GLN N N 15 118.369 0.1 . 1 . . . . . . . . 5987 2 732 . 2 2 74 74 GLN H H 1 7.920 0.02 . 1 . . . . . . . . 5987 2 733 . 2 2 74 74 GLN CA C 13 58.835 0.1 . 1 . . . . . . . . 5987 2 734 . 2 2 74 74 GLN HA H 1 4.129 0.02 . 1 . . . . . . . . 5987 2 735 . 2 2 75 75 ILE N N 15 121.922 0.1 . 1 . . . . . . . . 5987 2 736 . 2 2 75 75 ILE H H 1 8.606 0.02 . 1 . . . . . . . . 5987 2 737 . 2 2 75 75 ILE CA C 13 66.563 0.1 . 1 . . . . . . . . 5987 2 738 . 2 2 75 75 ILE HA H 1 3.669 0.02 . 1 . . . . . . . . 5987 2 739 . 2 2 75 75 ILE CB C 13 38.722 0.1 . 1 . . . . . . . . 5987 2 740 . 2 2 75 75 ILE HB H 1 1.836 0.02 . 1 . . . . . . . . 5987 2 741 . 2 2 75 75 ILE CG1 C 13 30.474 0.1 . 2 . . . . . . . . 5987 2 742 . 2 2 75 75 ILE HG12 H 1 2.096 0.02 . 9 . . . . . . . . 5987 2 743 . 2 2 75 75 ILE CD1 C 13 14.013 0.1 . 1 . . . . . . . . 5987 2 744 . 2 2 75 75 ILE HD11 H 1 0.763 0.02 . 1 . . . . . . . . 5987 2 745 . 2 2 75 75 ILE HD12 H 1 0.763 0.02 . 1 . . . . . . . . 5987 2 746 . 2 2 75 75 ILE HD13 H 1 0.763 0.02 . 1 . . . . . . . . 5987 2 747 . 2 2 75 75 ILE CG2 C 13 19.055 0.1 . 2 . . . . . . . . 5987 2 748 . 2 2 75 75 ILE HG21 H 1 0.880 0.02 . 1 . . . . . . . . 5987 2 749 . 2 2 75 75 ILE HG22 H 1 0.880 0.02 . 1 . . . . . . . . 5987 2 750 . 2 2 75 75 ILE HG23 H 1 0.880 0.02 . 1 . . . . . . . . 5987 2 751 . 2 2 76 76 ILE N N 15 120.210 0.1 . 1 . . . . . . . . 5987 2 752 . 2 2 76 76 ILE H H 1 8.875 0.02 . 1 . . . . . . . . 5987 2 753 . 2 2 76 76 ILE CA C 13 64.744 0.1 . 1 . . . . . . . . 5987 2 754 . 2 2 76 76 ILE HA H 1 3.824 0.02 . 1 . . . . . . . . 5987 2 755 . 2 2 76 76 ILE CB C 13 37.193 0.1 . 1 . . . . . . . . 5987 2 756 . 2 2 76 76 ILE HB H 1 1.923 0.02 . 1 . . . . . . . . 5987 2 757 . 2 2 76 76 ILE CG1 C 13 29.312 0.1 . 2 . . . . . . . . 5987 2 758 . 2 2 76 76 ILE HG12 H 1 1.707 0.02 . 9 . . . . . . . . 5987 2 759 . 2 2 76 76 ILE HG13 H 1 1.177 0.02 . 9 . . . . . . . . 5987 2 760 . 2 2 76 76 ILE CD1 C 13 12.667 0.1 . 1 . . . . . . . . 5987 2 761 . 2 2 76 76 ILE HD11 H 1 0.749 0.02 . 1 . . . . . . . . 5987 2 762 . 2 2 76 76 ILE HD12 H 1 0.749 0.02 . 1 . . . . . . . . 5987 2 763 . 2 2 76 76 ILE HD13 H 1 0.749 0.02 . 1 . . . . . . . . 5987 2 764 . 2 2 76 76 ILE CG2 C 13 17.768 0.1 . 2 . . . . . . . . 5987 2 765 . 2 2 76 76 ILE HG21 H 1 0.942 0.02 . 1 . . . . . . . . 5987 2 766 . 2 2 76 76 ILE HG22 H 1 0.942 0.02 . 1 . . . . . . . . 5987 2 767 . 2 2 76 76 ILE HG23 H 1 0.942 0.02 . 1 . . . . . . . . 5987 2 768 . 2 2 77 77 SER N N 15 114.453 0.1 . 1 . . . . . . . . 5987 2 769 . 2 2 77 77 SER H H 1 7.967 0.02 . 1 . . . . . . . . 5987 2 770 . 2 2 77 77 SER CA C 13 61.843 0.1 . 1 . . . . . . . . 5987 2 771 . 2 2 77 77 SER HA H 1 4.105 0.02 . 1 . . . . . . . . 5987 2 772 . 2 2 77 77 SER CB C 13 62.551 0.1 . 1 . . . . . . . . 5987 2 773 . 2 2 77 77 SER HB2 H 1 4.000 0.02 . 2 . . . . . . . . 5987 2 774 . 2 2 77 77 SER HB3 H 1 3.945 0.02 . 2 . . . . . . . . 5987 2 775 . 2 2 78 78 HIS N N 15 118.696 0.1 . 1 . . . . . . . . 5987 2 776 . 2 2 78 78 HIS H H 1 8.022 0.02 . 1 . . . . . . . . 5987 2 777 . 2 2 78 78 HIS CA C 13 60.330 0.1 . 1 . . . . . . . . 5987 2 778 . 2 2 78 78 HIS HA H 1 4.007 0.02 . 1 . . . . . . . . 5987 2 779 . 2 2 78 78 HIS CB C 13 27.720 0.1 . 1 . . . . . . . . 5987 2 780 . 2 2 78 78 HIS HB2 H 1 3.302 0.02 . 2 . . . . . . . . 5987 2 781 . 2 2 78 78 HIS HB3 H 1 2.814 0.02 . 2 . . . . . . . . 5987 2 782 . 2 2 78 78 HIS CD2 C 13 127.339 0.1 . 1 . . . . . . . . 5987 2 783 . 2 2 78 78 HIS HD2 H 1 6.618 0.02 . 2 . . . . . . . . 5987 2 784 . 2 2 78 78 HIS CE1 C 13 139.694 0.1 . 1 . . . . . . . . 5987 2 785 . 2 2 78 78 HIS HE1 H 1 8.136 0.02 . 1 . . . . . . . . 5987 2 786 . 2 2 79 79 TRP N N 15 119.618 0.1 . 1 . . . . . . . . 5987 2 787 . 2 2 79 79 TRP H H 1 8.472 0.02 . 1 . . . . . . . . 5987 2 788 . 2 2 79 79 TRP CA C 13 61.747 0.1 . 1 . . . . . . . . 5987 2 789 . 2 2 79 79 TRP HA H 1 4.654 0.02 . 1 . . . . . . . . 5987 2 790 . 2 2 79 79 TRP CB C 13 30.147 0.1 . 1 . . . . . . . . 5987 2 791 . 2 2 79 79 TRP HB2 H 1 3.160 0.02 . 2 . . . . . . . . 5987 2 792 . 2 2 79 79 TRP CD1 C 13 126.293 0.1 . 2 . . . . . . . . 5987 2 793 . 2 2 79 79 TRP HD1 H 1 7.140 0.02 . 1 . . . . . . . . 5987 2 794 . 2 2 79 79 TRP NE1 N 15 129.194 0.1 . 1 . . . . . . . . 5987 2 795 . 2 2 79 79 TRP HE1 H 1 10.091 0.02 . 2 . . . . . . . . 5987 2 796 . 2 2 79 79 TRP CZ2 C 13 114.186 0.1 . 2 . . . . . . . . 5987 2 797 . 2 2 79 79 TRP HZ2 H 1 7.353 0.02 . 2 . . . . . . . . 5987 2 798 . 2 2 79 79 TRP CH2 C 13 123.925 0.1 . 1 . . . . . . . . 5987 2 799 . 2 2 79 79 TRP HH2 H 1 6.980 0.02 . 1 . . . . . . . . 5987 2 800 . 2 2 80 80 LYS N N 15 115.306 0.1 . 1 . . . . . . . . 5987 2 801 . 2 2 80 80 LYS H H 1 8.393 0.02 . 1 . . . . . . . . 5987 2 802 . 2 2 80 80 LYS CB C 13 32.787 0.1 . 1 . . . . . . . . 5987 2 803 . 2 2 80 80 LYS HB2 H 1 1.773 0.02 . 2 . . . . . . . . 5987 2 804 . 2 2 80 80 LYS HB3 H 1 1.735 0.02 . 2 . . . . . . . . 5987 2 805 . 2 2 80 80 LYS CG C 13 25.653 0.1 . 1 . . . . . . . . 5987 2 806 . 2 2 80 80 LYS HG2 H 1 1.700 0.02 . 2 . . . . . . . . 5987 2 807 . 2 2 80 80 LYS HG3 H 1 1.418 0.02 . 2 . . . . . . . . 5987 2 808 . 2 2 80 80 LYS CD C 13 29.308 0.1 . 1 . . . . . . . . 5987 2 809 . 2 2 80 80 LYS HD2 H 1 1.633 0.02 . 2 . . . . . . . . 5987 2 810 . 2 2 80 80 LYS CE C 13 41.580 0.1 . 1 . . . . . . . . 5987 2 811 . 2 2 80 80 LYS HE2 H 1 2.899 0.02 . 2 . . . . . . . . 5987 2 812 . 2 2 81 81 ASN N N 15 113.879 0.1 . 1 . . . . . . . . 5987 2 813 . 2 2 81 81 ASN H H 1 7.175 0.02 . 1 . . . . . . . . 5987 2 814 . 2 2 81 81 ASN CA C 13 53.154 0.1 . 1 . . . . . . . . 5987 2 815 . 2 2 81 81 ASN HA H 1 4.664 0.02 . 1 . . . . . . . . 5987 2 816 . 2 2 81 81 ASN CB C 13 40.759 0.1 . 1 . . . . . . . . 5987 2 817 . 2 2 81 81 ASN HB2 H 1 2.664 0.02 . 2 . . . . . . . . 5987 2 818 . 2 2 81 81 ASN HB3 H 1 2.523 0.02 . 2 . . . . . . . . 5987 2 819 . 2 2 81 81 ASN ND2 N 15 115.214 0.1 . 1 . . . . . . . . 5987 2 820 . 2 2 81 81 ASN HD21 H 1 7.714 0.02 . 2 . . . . . . . . 5987 2 821 . 2 2 81 81 ASN HD22 H 1 6.944 0.02 . 2 . . . . . . . . 5987 2 822 . 2 2 82 82 CYS N N 15 124.545 0.1 . 1 . . . . . . . . 5987 2 823 . 2 2 82 82 CYS H H 1 7.431 0.02 . 1 . . . . . . . . 5987 2 824 . 2 2 82 82 CYS CA C 13 61.173 0.1 . 1 . . . . . . . . 5987 2 825 . 2 2 82 82 CYS HA H 1 3.976 0.02 . 1 . . . . . . . . 5987 2 826 . 2 2 82 82 CYS CB C 13 28.180 0.1 . 1 . . . . . . . . 5987 2 827 . 2 2 82 82 CYS HB2 H 1 2.726 0.02 . 2 . . . . . . . . 5987 2 828 . 2 2 82 82 CYS HB3 H 1 1.910 0.02 . 2 . . . . . . . . 5987 2 829 . 2 2 83 83 THR CA C 13 60.272 0.1 . 1 . . . . . . . . 5987 2 830 . 2 2 83 83 THR HA H 1 4.506 0.02 . 1 . . . . . . . . 5987 2 831 . 2 2 83 83 THR CB C 13 69.306 0.1 . 1 . . . . . . . . 5987 2 832 . 2 2 83 83 THR HB H 1 4.481 0.02 . 1 . . . . . . . . 5987 2 833 . 2 2 83 83 THR CG2 C 13 21.131 0.1 . 1 . . . . . . . . 5987 2 834 . 2 2 83 83 THR HG21 H 1 1.080 0.02 . 1 . . . . . . . . 5987 2 835 . 2 2 83 83 THR HG22 H 1 1.080 0.02 . 1 . . . . . . . . 5987 2 836 . 2 2 83 83 THR HG23 H 1 1.080 0.02 . 1 . . . . . . . . 5987 2 837 . 2 2 84 84 ARG CA C 13 55.904 0.1 . 1 . . . . . . . . 5987 2 838 . 2 2 84 84 ARG HA H 1 4.421 0.02 . 1 . . . . . . . . 5987 2 839 . 2 2 84 84 ARG CB C 13 31.460 0.1 . 1 . . . . . . . . 5987 2 840 . 2 2 84 84 ARG HB2 H 1 1.924 0.02 . 2 . . . . . . . . 5987 2 841 . 2 2 84 84 ARG HB3 H 1 1.838 0.02 . 2 . . . . . . . . 5987 2 842 . 2 2 84 84 ARG CD C 13 43.652 0.1 . 1 . . . . . . . . 5987 2 843 . 2 2 84 84 ARG HD2 H 1 3.317 0.02 . 2 . . . . . . . . 5987 2 844 . 2 2 84 84 ARG HD3 H 1 3.176 0.02 . 2 . . . . . . . . 5987 2 845 . 2 2 85 85 HIS CA C 13 58.291 0.1 . 1 . . . . . . . . 5987 2 846 . 2 2 85 85 HIS HA H 1 4.336 0.02 . 1 . . . . . . . . 5987 2 847 . 2 2 85 85 HIS CB C 13 29.163 0.1 . 1 . . . . . . . . 5987 2 848 . 2 2 85 85 HIS HB2 H 1 3.174 0.02 . 2 . . . . . . . . 5987 2 849 . 2 2 85 85 HIS CD2 C 13 119.257 0.1 . 1 . . . . . . . . 5987 2 850 . 2 2 85 85 HIS HD2 H 1 7.172 0.02 . 2 . . . . . . . . 5987 2 851 . 2 2 85 85 HIS CE1 C 13 137.763 0.1 . 1 . . . . . . . . 5987 2 852 . 2 2 85 85 HIS HE1 H 1 8.025 0.02 . 1 . . . . . . . . 5987 2 853 . 2 2 86 86 ASP CA C 13 51.738 0.1 . 1 . . . . . . . . 5987 2 854 . 2 2 86 86 ASP HA H 1 4.474 0.02 . 1 . . . . . . . . 5987 2 855 . 2 2 86 86 ASP CB C 13 39.311 0.1 . 1 . . . . . . . . 5987 2 856 . 2 2 86 86 ASP HB2 H 1 2.255 0.02 . 2 . . . . . . . . 5987 2 857 . 2 2 86 86 ASP HB3 H 1 2.812 0.02 . 2 . . . . . . . . 5987 2 858 . 2 2 87 87 CYS N N 15 122.599 0.1 . 1 . . . . . . . . 5987 2 859 . 2 2 87 87 CYS H H 1 7.041 0.02 . 1 . . . . . . . . 5987 2 860 . 2 2 87 87 CYS CA C 13 62.972 0.1 . 1 . . . . . . . . 5987 2 861 . 2 2 87 87 CYS HA H 1 4.175 0.02 . 1 . . . . . . . . 5987 2 862 . 2 2 87 87 CYS CB C 13 31.076 0.1 . 1 . . . . . . . . 5987 2 863 . 2 2 87 87 CYS HB2 H 1 2.870 0.02 . 2 . . . . . . . . 5987 2 864 . 2 2 88 88 PRO CA C 13 64.359 0.1 . 1 . . . . . . . . 5987 2 865 . 2 2 88 88 PRO HA H 1 4.365 0.02 . 1 . . . . . . . . 5987 2 866 . 2 2 88 88 PRO CB C 13 32.503 0.1 . 1 . . . . . . . . 5987 2 867 . 2 2 88 88 PRO HB2 H 1 2.323 0.02 . 2 . . . . . . . . 5987 2 868 . 2 2 88 88 PRO HB3 H 1 1.755 0.02 . 2 . . . . . . . . 5987 2 869 . 2 2 88 88 PRO CD C 13 51.071 0.1 . 1 . . . . . . . . 5987 2 870 . 2 2 88 88 PRO HD2 H 1 4.150 0.02 . 2 . . . . . . . . 5987 2 871 . 2 2 89 89 VAL N N 15 120.050 0.1 . 1 . . . . . . . . 5987 2 872 . 2 2 89 89 VAL H H 1 8.402 0.02 . 1 . . . . . . . . 5987 2 873 . 2 2 89 89 VAL CA C 13 66.138 0.1 . 1 . . . . . . . . 5987 2 874 . 2 2 89 89 VAL HA H 1 3.712 0.02 . 1 . . . . . . . . 5987 2 875 . 2 2 89 89 VAL CB C 13 32.895 0.1 . 1 . . . . . . . . 5987 2 876 . 2 2 89 89 VAL HB H 1 2.165 0.02 . 1 . . . . . . . . 5987 2 877 . 2 2 89 89 VAL CG2 C 13 21.573 0.1 . 2 . . . . . . . . 5987 2 878 . 2 2 89 89 VAL HG21 H 1 0.917 0.02 . 1 . . . . . . . . 5987 2 879 . 2 2 89 89 VAL HG22 H 1 0.917 0.02 . 1 . . . . . . . . 5987 2 880 . 2 2 89 89 VAL HG23 H 1 0.917 0.02 . 1 . . . . . . . . 5987 2 881 . 2 2 89 89 VAL CG1 C 13 22.902 0.1 . 2 . . . . . . . . 5987 2 882 . 2 2 89 89 VAL HG11 H 1 0.836 0.02 . 1 . . . . . . . . 5987 2 883 . 2 2 89 89 VAL HG12 H 1 0.836 0.02 . 1 . . . . . . . . 5987 2 884 . 2 2 89 89 VAL HG13 H 1 0.836 0.02 . 1 . . . . . . . . 5987 2 885 . 2 2 90 90 CYS N N 15 118.937 0.1 . 1 . . . . . . . . 5987 2 886 . 2 2 90 90 CYS H H 1 8.472 0.02 . 1 . . . . . . . . 5987 2 887 . 2 2 90 90 CYS CA C 13 62.981 0.1 . 1 . . . . . . . . 5987 2 888 . 2 2 90 90 CYS HA H 1 4.199 0.02 . 1 . . . . . . . . 5987 2 889 . 2 2 90 90 CYS CB C 13 31.081 0.1 . 1 . . . . . . . . 5987 2 890 . 2 2 90 90 CYS HB2 H 1 2.912 0.02 . 2 . . . . . . . . 5987 2 891 . 2 2 90 90 CYS HB3 H 1 3.218 0.02 . 2 . . . . . . . . 5987 2 892 . 2 2 91 91 LEU N N 15 119.993 0.1 . 1 . . . . . . . . 5987 2 893 . 2 2 91 91 LEU H H 1 7.810 0.02 . 1 . . . . . . . . 5987 2 894 . 2 2 91 91 LEU CA C 13 60.177 0.1 . 1 . . . . . . . . 5987 2 895 . 2 2 91 91 LEU HA H 1 4.170 0.02 . 1 . . . . . . . . 5987 2 896 . 2 2 91 91 LEU CB C 13 39.639 0.1 . 1 . . . . . . . . 5987 2 897 . 2 2 91 91 LEU HB2 H 1 1.857 0.02 . 2 . . . . . . . . 5987 2 898 . 2 2 91 91 LEU HB3 H 1 1.688 0.02 . 2 . . . . . . . . 5987 2 899 . 2 2 91 91 LEU CG C 13 26.841 0.1 . 1 . . . . . . . . 5987 2 900 . 2 2 91 91 LEU HG H 1 1.600 0.02 . 1 . . . . . . . . 5987 2 901 . 2 2 91 91 LEU CD1 C 13 24.033 0.1 . 2 . . . . . . . . 5987 2 902 . 2 2 91 91 LEU HD11 H 1 0.867 0.02 . 1 . . . . . . . . 5987 2 903 . 2 2 91 91 LEU HD12 H 1 0.867 0.02 . 1 . . . . . . . . 5987 2 904 . 2 2 91 91 LEU HD13 H 1 0.867 0.02 . 1 . . . . . . . . 5987 2 905 . 2 2 91 91 LEU CD2 C 13 25.205 0.1 . 2 . . . . . . . . 5987 2 906 . 2 2 91 91 LEU HD21 H 1 0.851 0.02 . 1 . . . . . . . . 5987 2 907 . 2 2 91 91 LEU HD22 H 1 0.851 0.02 . 1 . . . . . . . . 5987 2 908 . 2 2 91 91 LEU HD23 H 1 0.851 0.02 . 1 . . . . . . . . 5987 2 909 . 2 2 92 92 PRO CA C 13 65.617 0.1 . 1 . . . . . . . . 5987 2 910 . 2 2 92 92 PRO HA H 1 4.378 0.02 . 1 . . . . . . . . 5987 2 911 . 2 2 92 92 PRO CB C 13 31.030 0.1 . 1 . . . . . . . . 5987 2 912 . 2 2 92 92 PRO HB2 H 1 2.368 0.02 . 2 . . . . . . . . 5987 2 913 . 2 2 92 92 PRO HB3 H 1 1.600 0.02 . 2 . . . . . . . . 5987 2 914 . 2 2 92 92 PRO CG C 13 28.315 0.1 . 1 . . . . . . . . 5987 2 915 . 2 2 92 92 PRO HG2 H 1 1.968 0.02 . 2 . . . . . . . . 5987 2 916 . 2 2 92 92 PRO HG3 H 1 1.829 0.02 . 2 . . . . . . . . 5987 2 917 . 2 2 92 92 PRO CD C 13 49.716 0.1 . 1 . . . . . . . . 5987 2 918 . 2 2 92 92 PRO HD2 H 1 3.559 0.02 . 2 . . . . . . . . 5987 2 919 . 2 2 93 93 LEU N N 15 119.525 0.1 . 1 . . . . . . . . 5987 2 920 . 2 2 93 93 LEU H H 1 8.511 0.02 . 1 . . . . . . . . 5987 2 921 . 2 2 93 93 LEU CA C 13 56.606 0.1 . 1 . . . . . . . . 5987 2 922 . 2 2 93 93 LEU HA H 1 4.196 0.02 . 1 . . . . . . . . 5987 2 923 . 2 2 93 93 LEU CB C 13 42.151 0.1 . 1 . . . . . . . . 5987 2 924 . 2 2 93 93 LEU HB2 H 1 2.107 0.02 . 2 . . . . . . . . 5987 2 925 . 2 2 93 93 LEU HB3 H 1 1.752 0.02 . 2 . . . . . . . . 5987 2 926 . 2 2 93 93 LEU CG C 13 28.813 0.1 . 1 . . . . . . . . 5987 2 927 . 2 2 93 93 LEU HG H 1 1.496 0.02 . 1 . . . . . . . . 5987 2 928 . 2 2 93 93 LEU CD1 C 13 25.202 0.1 . 2 . . . . . . . . 5987 2 929 . 2 2 93 93 LEU HD11 H 1 0.600 0.02 . 1 . . . . . . . . 5987 2 930 . 2 2 93 93 LEU HD12 H 1 0.600 0.02 . 1 . . . . . . . . 5987 2 931 . 2 2 93 93 LEU HD13 H 1 0.600 0.02 . 1 . . . . . . . . 5987 2 932 . 2 2 93 93 LEU CD2 C 13 25.554 0.1 . 2 . . . . . . . . 5987 2 933 . 2 2 93 93 LEU HD21 H 1 0.772 0.02 . 1 . . . . . . . . 5987 2 934 . 2 2 93 93 LEU HD22 H 1 0.772 0.02 . 1 . . . . . . . . 5987 2 935 . 2 2 93 93 LEU HD23 H 1 0.772 0.02 . 1 . . . . . . . . 5987 2 936 . 2 2 94 94 LYS N N 15 119.642 0.1 . 1 . . . . . . . . 5987 2 937 . 2 2 94 94 LYS H H 1 7.948 0.02 . 1 . . . . . . . . 5987 2 938 . 2 2 94 94 LYS CA C 13 57.817 0.1 . 1 . . . . . . . . 5987 2 939 . 2 2 94 94 LYS HA H 1 4.248 0.02 . 1 . . . . . . . . 5987 2 940 . 2 2 95 95 ASN N N 15 117.779 0.1 . 1 . . . . . . . . 5987 2 941 . 2 2 95 95 ASN H H 1 8.505 0.02 . 1 . . . . . . . . 5987 2 942 . 2 2 95 95 ASN CA C 13 53.788 0.1 . 1 . . . . . . . . 5987 2 943 . 2 2 95 95 ASN HA H 1 4.688 0.02 . 1 . . . . . . . . 5987 2 944 . 2 2 95 95 ASN CB C 13 38.530 0.1 . 1 . . . . . . . . 5987 2 945 . 2 2 95 95 ASN HB2 H 1 2.865 0.02 . 2 . . . . . . . . 5987 2 946 . 2 2 95 95 ASN HB3 H 1 2.743 0.02 . 2 . . . . . . . . 5987 2 947 . 2 2 95 95 ASN ND2 N 15 111.811 0.1 . 1 . . . . . . . . 5987 2 948 . 2 2 95 95 ASN HD21 H 1 7.642 0.02 . 2 . . . . . . . . 5987 2 949 . 2 2 95 95 ASN HD22 H 1 6.874 0.02 . 2 . . . . . . . . 5987 2 950 . 2 2 96 96 ALA N N 15 122.741 0.1 . 1 . . . . . . . . 5987 2 951 . 2 2 96 96 ALA H H 1 7.856 0.02 . 1 . . . . . . . . 5987 2 952 . 2 2 96 96 ALA CA C 13 53.344 0.1 . 1 . . . . . . . . 5987 2 953 . 2 2 96 96 ALA HA H 1 4.308 0.02 . 1 . . . . . . . . 5987 2 954 . 2 2 96 96 ALA CB C 13 19.001 0.1 . 1 . . . . . . . . 5987 2 955 . 2 2 96 96 ALA HB1 H 1 1.484 0.02 . 1 . . . . . . . . 5987 2 956 . 2 2 96 96 ALA HB2 H 1 1.484 0.02 . 1 . . . . . . . . 5987 2 957 . 2 2 96 96 ALA HB3 H 1 1.484 0.02 . 1 . . . . . . . . 5987 2 958 . 2 2 97 97 SER N N 15 113.074 0.1 . 1 . . . . . . . . 5987 2 959 . 2 2 97 97 SER H H 1 8.050 0.02 . 1 . . . . . . . . 5987 2 960 . 2 2 97 97 SER CA C 13 58.854 0.1 . 1 . . . . . . . . 5987 2 961 . 2 2 97 97 SER HA H 1 4.457 0.02 . 1 . . . . . . . . 5987 2 962 . 2 2 97 97 SER CB C 13 63.901 0.1 . 1 . . . . . . . . 5987 2 963 . 2 2 97 97 SER HB2 H 1 3.987 0.02 . 2 . . . . . . . . 5987 2 964 . 2 2 97 97 SER HB3 H 1 3.913 0.02 . 2 . . . . . . . . 5987 2 965 . 2 2 98 98 ASP N N 15 121.831 0.1 . 1 . . . . . . . . 5987 2 966 . 2 2 98 98 ASP H H 1 8.176 0.02 . 1 . . . . . . . . 5987 2 967 . 2 2 98 98 ASP CA C 13 54.369 0.1 . 1 . . . . . . . . 5987 2 968 . 2 2 98 98 ASP HA H 1 4.634 0.02 . 1 . . . . . . . . 5987 2 969 . 2 2 98 98 ASP CB C 13 40.986 0.1 . 1 . . . . . . . . 5987 2 970 . 2 2 98 98 ASP HB2 H 1 2.729 0.02 . 2 . . . . . . . . 5987 2 971 . 2 2 98 98 ASP HB3 H 1 2.681 0.02 . 2 . . . . . . . . 5987 2 972 . 2 2 99 99 LYS N N 15 121.661 0.1 . 1 . . . . . . . . 5987 2 973 . 2 2 99 99 LYS H H 1 8.051 0.02 . 1 . . . . . . . . 5987 2 974 . 2 2 99 99 LYS CA C 13 56.128 0.1 . 1 . . . . . . . . 5987 2 975 . 2 2 99 99 LYS HA H 1 4.329 0.02 . 1 . . . . . . . . 5987 2 976 . 2 2 99 99 LYS CB C 13 32.522 0.1 . 1 . . . . . . . . 5987 2 977 . 2 2 99 99 LYS HB2 H 1 1.744 0.02 . 2 . . . . . . . . 5987 2 978 . 2 2 99 99 LYS HB3 H 1 1.876 0.02 . 2 . . . . . . . . 5987 2 979 . 2 2 99 99 LYS CG C 13 24.587 0.1 . 1 . . . . . . . . 5987 2 980 . 2 2 99 99 LYS HG2 H 1 1.449 0.02 . 2 . . . . . . . . 5987 2 981 . 2 2 99 99 LYS HG3 H 1 1.395 0.02 . 2 . . . . . . . . 5987 2 982 . 2 2 99 99 LYS CD C 13 28.819 0.1 . 1 . . . . . . . . 5987 2 983 . 2 2 99 99 LYS HD2 H 1 1.647 0.02 . 2 . . . . . . . . 5987 2 984 . 2 2 99 99 LYS CE C 13 41.886 0.1 . 1 . . . . . . . . 5987 2 985 . 2 2 99 99 LYS HE2 H 1 2.961 0.02 . 2 . . . . . . . . 5987 2 986 . 2 2 100 100 ARG N N 15 127.695 0.1 . 1 . . . . . . . . 5987 2 987 . 2 2 100 100 ARG H H 1 7.916 0.02 . 1 . . . . . . . . 5987 2 988 . 2 2 100 100 ARG CA C 13 57.331 0.1 . 1 . . . . . . . . 5987 2 989 . 2 2 100 100 ARG HA H 1 4.147 0.02 . 1 . . . . . . . . 5987 2 990 . 2 2 100 100 ARG CB C 13 31.399 0.1 . 1 . . . . . . . . 5987 2 991 . 2 2 100 100 ARG HB2 H 1 1.843 0.02 . 2 . . . . . . . . 5987 2 992 . 2 2 100 100 ARG HB3 H 1 1.719 0.02 . 2 . . . . . . . . 5987 2 993 . 2 2 100 100 ARG CG C 13 27.064 0.1 . 1 . . . . . . . . 5987 2 994 . 2 2 100 100 ARG HG2 H 1 1.585 0.02 . 2 . . . . . . . . 5987 2 995 . 2 2 100 100 ARG CD C 13 43.255 0.1 . 1 . . . . . . . . 5987 2 996 . 2 2 100 100 ARG HD2 H 1 3.164 0.02 . 2 . . . . . . . . 5987 2 stop_ save_