data_6268 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6268 _Entry.Title ; CBP TAZ1 Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-07-19 _Entry.Accession_date 2004-07-19 _Entry.Last_release_date 2005-02-21 _Entry.Original_release_date 2005-02-21 _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. . 6268 2 Jonathan Wojciak . M. . 6268 3 Maria Martinez-Yamout . A. . 6268 4 'H. Jane' Dyson . . . 6268 5 Peter wright . E. . 6268 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6268 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 284 6268 '1H chemical shifts' 562 6268 '15N chemical shifts' 95 6268 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 . . 2005-02-21 2004-07-19 original author . 6268 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6268 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15641773 _Citation.Full_citation . _Citation.Title 'CBP/p300 TAZ1 domain forms a structured scaffold for ligand binding' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 2 _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 490 _Citation.Page_last 497 _Citation.Year 2005 _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. . 6268 1 2 Jonathan Wojciak . M. . 6268 1 3 Maria Martinez-Yamout . A. . 6268 1 4 'H. Jane' Dyson . . . 6268 1 5 Peter Wright . E. . 6268 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID TAZ1 6268 1 CBP 6268 1 p300 6268 1 TAZ2 6268 1 CH1 6268 1 CH3 6268 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_CBP_TAZ1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_CBP_TAZ1 _Assembly.Entry_ID 6268 _Assembly.ID 1 _Assembly.Name 'CBP TAZ1' _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 'all other bound' _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 6268 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 'CBP TAZ1' 1 $CBP_TAZ1 . . . native . . . . . 6268 1 2 'ZINC (II) ION, 1' 2 $ZN . . . native . . . . . 6268 1 3 'ZINC (II) ION, 2' 2 $ZN . . . native . . . . . 6268 1 4 'ZINC (II) ION, 3' 2 $ZN . . . native . . . . . 6268 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 . 1 . 1 HIS 23 23 NE2 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6268 1 2 coordination single . 1 . 1 CYS 27 27 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6268 1 3 coordination single . 1 . 1 CYS 40 40 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6268 1 4 coordination single . 1 . 1 CYS 45 45 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6268 1 5 coordination single . 1 . 1 HIS 54 54 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6268 1 6 coordination single . 1 . 1 CYS 58 58 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6268 1 7 coordination single . 1 . 1 CYS 64 64 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6268 1 8 coordination single . 1 . 1 CYS 69 69 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 6268 1 9 coordination single . 1 . 1 HIS 78 78 NE2 . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 6268 1 10 coordination single . 1 . 1 CYS 82 82 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 6268 1 11 coordination single . 1 . 1 CYS 87 87 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 6268 1 12 coordination single . 1 . 1 CYS 90 90 SG . 4 . 2 ZN 1 1 ZN . . . . . . . . . . 6268 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CBP TAZ1' system 6268 1 'CBP TAZ1' abbreviation 6268 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'protein-protein interaction' 6268 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CBP_TAZ1 _Entity.Sf_category entity _Entity.Sf_framecode CBP_TAZ1 _Entity.Entry_ID 6268 _Entity.ID 1 _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 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 2010-09-18 _Entity.DB_query_revised_last_date 2010-07-24 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 . . SP Q92793 . 'RecName: Full=CREB-binding protein' . . . . . 100.00 2442 100.00 100.00 6.97e-48 . . . . 6268 1 . . SP P45481 . 'RecName: Full=CREB-binding protein' . . . . . 100.00 2441 99.00 99.00 6.91e-47 . . . . 6268 1 . . REF NP_596872 . 'CREB-binding protein [Rattus norvegicus]' . . . . . 100.00 2444 100.00 100.00 6.20e-48 . . . . 6268 1 . . REF NP_004371 . 'CREB-binding protein isoform a [Homo sapiens]' . . . . . 100.00 2442 100.00 100.00 6.97e-48 . . . . 6268 1 . . REF NP_001157494 . 'CREB-binding protein [Bos taurus]' . . . . . 100.00 2435 99.00 100.00 1.79e-47 . . . . 6268 1 . . REF NP_001073315 . 'CREB-binding protein isoform b [Homo sapiens]' . . . . . 65.00 2404 100.00 100.00 7.88e-25 . . . . 6268 1 . . REF NP_001020603 . 'CREB-binding protein [Mus musculus]' . . . . . 100.00 2441 100.00 100.00 6.25e-48 . . . . 6268 1 . . PRF 1923401A . 'protein CBP' . . . . . 100.00 2441 99.00 99.00 5.95e-47 . . . . 6268 1 . . GB AAH72594 . 'Crebbp protein [Mus musculus]' . . . . . 100.00 1589 100.00 100.00 2.53e-55 . . . . 6268 1 . . GB AAC51770 . 'CREB-binding protein [Homo sapiens]' . . . . . 100.00 2442 100.00 100.00 6.74e-48 . . . . 6268 1 . . GB AAC51331 . 'CREB-binding protein [Homo sapiens]' . . . . . 100.00 2442 100.00 100.00 6.97e-48 . . . . 6268 1 . . GB AAC08447 . 'CBP [Homo sapiens]' . . . . . 100.00 555 100.00 100.00 3.54e-55 . . . . 6268 1 . . GB AAB28651 . 'CREB-binding protein [Mus sp.]' . . . . . 100.00 2441 99.00 99.00 6.91e-47 . . . . 6268 1 . . DBJ BAI45616 . 'CREB binding protein [synthetic construct]' . . . . . 100.00 2442 100.00 100.00 6.97e-48 . . . . 6268 1 . . DBJ BAG65526 . 'unnamed protein product [Homo sapiens]' . . . . . 53.00 1198 100.00 100.00 9.79e-26 . . . . 6268 1 . . DBJ BAE06125 . 'CREBBP variant protein [Homo sapiens]' . . . . . 65.00 2472 100.00 100.00 6.96e-25 . . . . 6268 1 . . PDB 2KA4 . 'Nmr Structure Of The Cbp-Taz1STAT2-Tad Complex' . . . . . 100.00 100 100.00 100.00 3.48e-51 . . . . 6268 1 . . PDB 1U2N . 'Structure Cbp Taz1 Domain' . . . . . 99.00 100 98.99 98.99 1.48e-49 . . . . 6268 1 . . PDB 1R8U . 'Nmr Structure Of Cbp Taz1CITED2 COMPLEX' . . . . . 99.00 100 100.00 100.00 1.46e-50 . . . . 6268 1 . . PDB 1L8C . 'Structural Basis For Hif-1alphaCBP RECOGNITION IN THE Cellular Hypoxic Response' . . . . . 94.00 95 100.00 100.00 2.67e-47 . . . . 6268 1 . . BMRB 5987 . 'CBP TAZ1 domain' . . . . . 100.00 100 100.00 100.00 3.48e-51 . . . . 6268 1 . . BMRB 5327 . 'CREB-binding protein' . . . . . 95.00 95 100.00 100.00 7.03e-48 . . . . 6268 1 . . BMRB 16014 . TAZ1 . . . . . 100.00 100 100.00 100.00 3.48e-51 . . . . 6268 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CBP TAZ1 domain' common 6268 1 'CBP TAZ1 domain' abbreviation 6268 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 1 340 ALA . 6268 1 2 341 THR . 6268 1 3 342 GLY . 6268 1 4 343 PRO . 6268 1 5 344 THR . 6268 1 6 345 ALA . 6268 1 7 346 ASP . 6268 1 8 347 PRO . 6268 1 9 348 GLU . 6268 1 10 349 LYS . 6268 1 11 350 ARG . 6268 1 12 351 LYS . 6268 1 13 352 LEU . 6268 1 14 353 ILE . 6268 1 15 354 GLN . 6268 1 16 355 GLN . 6268 1 17 356 GLN . 6268 1 18 357 LEU . 6268 1 19 358 VAL . 6268 1 20 359 LEU . 6268 1 21 360 LEU . 6268 1 22 361 LEU . 6268 1 23 362 HIS . 6268 1 24 363 ALA . 6268 1 25 364 HIS . 6268 1 26 365 LYS . 6268 1 27 366 CYS . 6268 1 28 367 GLN . 6268 1 29 368 ARG . 6268 1 30 369 ARG . 6268 1 31 370 GLU . 6268 1 32 371 GLN . 6268 1 33 372 ALA . 6268 1 34 373 ASN . 6268 1 35 374 GLY . 6268 1 36 375 GLU . 6268 1 37 376 VAL . 6268 1 38 377 ARG . 6268 1 39 378 ALA . 6268 1 40 379 CYS . 6268 1 41 380 SER . 6268 1 42 381 LEU . 6268 1 43 382 PRO . 6268 1 44 383 HIS . 6268 1 45 384 CYS . 6268 1 46 385 ARG . 6268 1 47 386 THR . 6268 1 48 387 MET . 6268 1 49 388 LYS . 6268 1 50 389 ASN . 6268 1 51 390 VAL . 6268 1 52 391 LEU . 6268 1 53 392 ASN . 6268 1 54 393 HIS . 6268 1 55 394 MET . 6268 1 56 395 THR . 6268 1 57 396 HIS . 6268 1 58 397 CYS . 6268 1 59 398 GLN . 6268 1 60 399 ALA . 6268 1 61 400 GLY . 6268 1 62 401 LYS . 6268 1 63 402 ALA . 6268 1 64 403 CYS . 6268 1 65 404 GLN . 6268 1 66 405 VAL . 6268 1 67 406 ALA . 6268 1 68 407 HIS . 6268 1 69 408 CYS . 6268 1 70 409 ALA . 6268 1 71 410 SER . 6268 1 72 411 SER . 6268 1 73 412 ARG . 6268 1 74 413 GLN . 6268 1 75 414 ILE . 6268 1 76 415 ILE . 6268 1 77 416 SER . 6268 1 78 417 HIS . 6268 1 79 418 TRP . 6268 1 80 419 LYS . 6268 1 81 420 ASN . 6268 1 82 421 CYS . 6268 1 83 422 THR . 6268 1 84 423 ARG . 6268 1 85 424 HIS . 6268 1 86 425 ASP . 6268 1 87 426 CYS . 6268 1 88 427 PRO . 6268 1 89 428 VAL . 6268 1 90 429 CYS . 6268 1 91 430 LEU . 6268 1 92 431 PRO . 6268 1 93 432 LEU . 6268 1 94 433 LYS . 6268 1 95 434 ASN . 6268 1 96 435 ALA . 6268 1 97 436 SER . 6268 1 98 437 ASP . 6268 1 99 438 LYS . 6268 1 100 439 ARG . 6268 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 . ALA 1 1 6268 1 . THR 2 2 6268 1 . GLY 3 3 6268 1 . PRO 4 4 6268 1 . THR 5 5 6268 1 . ALA 6 6 6268 1 . ASP 7 7 6268 1 . PRO 8 8 6268 1 . GLU 9 9 6268 1 . LYS 10 10 6268 1 . ARG 11 11 6268 1 . LYS 12 12 6268 1 . LEU 13 13 6268 1 . ILE 14 14 6268 1 . GLN 15 15 6268 1 . GLN 16 16 6268 1 . GLN 17 17 6268 1 . LEU 18 18 6268 1 . VAL 19 19 6268 1 . LEU 20 20 6268 1 . LEU 21 21 6268 1 . LEU 22 22 6268 1 . HIS 23 23 6268 1 . ALA 24 24 6268 1 . HIS 25 25 6268 1 . LYS 26 26 6268 1 . CYS 27 27 6268 1 . GLN 28 28 6268 1 . ARG 29 29 6268 1 . ARG 30 30 6268 1 . GLU 31 31 6268 1 . GLN 32 32 6268 1 . ALA 33 33 6268 1 . ASN 34 34 6268 1 . GLY 35 35 6268 1 . GLU 36 36 6268 1 . VAL 37 37 6268 1 . ARG 38 38 6268 1 . ALA 39 39 6268 1 . CYS 40 40 6268 1 . SER 41 41 6268 1 . LEU 42 42 6268 1 . PRO 43 43 6268 1 . HIS 44 44 6268 1 . CYS 45 45 6268 1 . ARG 46 46 6268 1 . THR 47 47 6268 1 . MET 48 48 6268 1 . LYS 49 49 6268 1 . ASN 50 50 6268 1 . VAL 51 51 6268 1 . LEU 52 52 6268 1 . ASN 53 53 6268 1 . HIS 54 54 6268 1 . MET 55 55 6268 1 . THR 56 56 6268 1 . HIS 57 57 6268 1 . CYS 58 58 6268 1 . GLN 59 59 6268 1 . ALA 60 60 6268 1 . GLY 61 61 6268 1 . LYS 62 62 6268 1 . ALA 63 63 6268 1 . CYS 64 64 6268 1 . GLN 65 65 6268 1 . VAL 66 66 6268 1 . ALA 67 67 6268 1 . HIS 68 68 6268 1 . CYS 69 69 6268 1 . ALA 70 70 6268 1 . SER 71 71 6268 1 . SER 72 72 6268 1 . ARG 73 73 6268 1 . GLN 74 74 6268 1 . ILE 75 75 6268 1 . ILE 76 76 6268 1 . SER 77 77 6268 1 . HIS 78 78 6268 1 . TRP 79 79 6268 1 . LYS 80 80 6268 1 . ASN 81 81 6268 1 . CYS 82 82 6268 1 . THR 83 83 6268 1 . ARG 84 84 6268 1 . HIS 85 85 6268 1 . ASP 86 86 6268 1 . CYS 87 87 6268 1 . PRO 88 88 6268 1 . VAL 89 89 6268 1 . CYS 90 90 6268 1 . LEU 91 91 6268 1 . PRO 92 92 6268 1 . LEU 93 93 6268 1 . LYS 94 94 6268 1 . ASN 95 95 6268 1 . ALA 96 96 6268 1 . SER 97 97 6268 1 . ASP 98 98 6268 1 . LYS 99 99 6268 1 . ARG 100 100 6268 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6268 _Entity.ID 2 _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 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 . _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 . 6268 2 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 6268 _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 $CBP_TAZ1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6268 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 6268 _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 $CBP_TAZ1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET21a . . . . . . 6268 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 6268 _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 Wed Jun 15 12:20:01 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 6268 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6268 ZN [Zn++] SMILES CACTVS 3.341 6268 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6268 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6268 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 6268 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6268 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 6268 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6268 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 . 6268 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6268 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '~1 mM N15 TAZ1 10 mM Tris pH 6.9 50 mM NaCl 2 mM DTT' _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 'CBP TAZ1 domain' '[U-13C; U-15N]' . . 1 $CBP_TAZ1 . . 1 . . mM . . . . 6268 1 2 Tris . . . . . . . 10 . . mM . . . . 6268 1 3 NaCl . . . . . . . 50 . . mM . . . . 6268 1 4 DTT . . . . . . . 2 . . mM . . . . 6268 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6268 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '~1 mM N15 TAZ1 10 mM Tris pH 6.9 50 mM NaCl 2 mM DTT' _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 'CBP TAZ1 domain' [U-15N] . . 1 $CBP_TAZ1 . . 1 . . mM . . . . 6268 2 2 Tris . . . . . . . 10 . . mM . . . . 6268 2 3 NaCl . . . . . . . 50 . . mM . . . . 6268 2 4 DTT . . . . . . . 2 . . mM . . . . 6268 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6268 _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 6.9 0.2 pH 6268 1 temperature 298 1 K 6268 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6268 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6268 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 6268 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6268 _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 DRX . 600 . . . 6268 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 6268 1 3 NMR_spectrometer_3 Bruker Avance . 900 . . . 6268 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 6268 _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 1H15N_HSQC . 1 $NMR_applied_experiment . . . . . . . . . . . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6268 1 stop_ save_ save_NMR_applied_experiment _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_applied_experiment _NMR_spec_expt.Entry_ID 6268 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_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 . _NMR_spec_expt.Software_label . _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_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6268 _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 external indirect 1.0 'outside sample' cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6268 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 'outside sample' cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6268 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 'outside sample' cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6268 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6268 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 . 6268 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 ALA CA C 13 51.732 0.2 . 1 . . . . . . . . 6268 1 2 . 1 1 1 1 ALA HA H 1 4.156 0.1 . 1 . . . . . . . . 6268 1 3 . 1 1 1 1 ALA CB C 13 19.421 0.2 . 1 . . . . . . . . 6268 1 4 . 1 1 1 1 ALA HB1 H 1 1.523 0.1 . 1 . . . . . . . . 6268 1 5 . 1 1 1 1 ALA HB2 H 1 1.523 0.1 . 1 . . . . . . . . 6268 1 6 . 1 1 1 1 ALA HB3 H 1 1.523 0.1 . 1 . . . . . . . . 6268 1 7 . 1 1 2 2 THR N N 15 111.392 0.2 . 1 . . . . . . . . 6268 1 8 . 1 1 2 2 THR H H 1 8.292 0.1 . 1 . . . . . . . . 6268 1 9 . 1 1 2 2 THR CA C 13 61.810 0.2 . 1 . . . . . . . . 6268 1 10 . 1 1 2 2 THR HA H 1 4.400 0.1 . 1 . . . . . . . . 6268 1 11 . 1 1 2 2 THR CB C 13 69.909 0.2 . 1 . . . . . . . . 6268 1 12 . 1 1 2 2 THR HB H 1 4.186 0.1 . 1 . . . . . . . . 6268 1 13 . 1 1 2 2 THR CG2 C 13 21.485 0.2 . 1 . . . . . . . . 6268 1 14 . 1 1 2 2 THR HG21 H 1 1.210 0.1 . 1 . . . . . . . . 6268 1 15 . 1 1 2 2 THR HG22 H 1 1.210 0.1 . 1 . . . . . . . . 6268 1 16 . 1 1 2 2 THR HG23 H 1 1.210 0.1 . 1 . . . . . . . . 6268 1 17 . 1 1 3 3 GLY N N 15 111.627 0.2 . 1 . . . . . . . . 6268 1 18 . 1 1 3 3 GLY H H 1 8.340 0.1 . 1 . . . . . . . . 6268 1 19 . 1 1 3 3 GLY CA C 13 44.533 0.2 . 1 . . . . . . . . 6268 1 20 . 1 1 3 3 GLY HA3 H 1 4.089 0.1 . 2 . . . . . . . . 6268 1 21 . 1 1 3 3 GLY HA2 H 1 4.164 0.1 . 2 . . . . . . . . 6268 1 22 . 1 1 4 4 PRO CA C 13 63.404 0.2 . 1 . . . . . . . . 6268 1 23 . 1 1 4 4 PRO HA H 1 4.465 0.1 . 1 . . . . . . . . 6268 1 24 . 1 1 4 4 PRO CB C 13 32.257 0.2 . 1 . . . . . . . . 6268 1 25 . 1 1 4 4 PRO HB2 H 1 2.272 0.1 . 2 . . . . . . . . 6268 1 26 . 1 1 4 4 PRO HB3 H 1 1.917 0.1 . 2 . . . . . . . . 6268 1 27 . 1 1 4 4 PRO CG C 13 27.181 0.2 . 1 . . . . . . . . 6268 1 28 . 1 1 4 4 PRO HG2 H 1 1.999 0.1 . 2 . . . . . . . . 6268 1 29 . 1 1 4 4 PRO CD C 13 49.843 0.2 . 1 . . . . . . . . 6268 1 30 . 1 1 4 4 PRO HD2 H 1 3.638 0.1 . 2 . . . . . . . . 6268 1 31 . 1 1 5 5 THR N N 15 113.295 0.2 . 1 . . . . . . . . 6268 1 32 . 1 1 5 5 THR H H 1 8.173 0.1 . 1 . . . . . . . . 6268 1 33 . 1 1 5 5 THR CA C 13 61.902 0.2 . 1 . . . . . . . . 6268 1 34 . 1 1 5 5 THR HA H 1 4.237 0.1 . 1 . . . . . . . . 6268 1 35 . 1 1 5 5 THR CB C 13 69.498 0.2 . 1 . . . . . . . . 6268 1 36 . 1 1 5 5 THR HB H 1 4.172 0.1 . 1 . . . . . . . . 6268 1 37 . 1 1 5 5 THR CG2 C 13 21.518 0.2 . 1 . . . . . . . . 6268 1 38 . 1 1 5 5 THR HG21 H 1 1.154 0.1 . 1 . . . . . . . . 6268 1 39 . 1 1 5 5 THR HG22 H 1 1.154 0.1 . 1 . . . . . . . . 6268 1 40 . 1 1 5 5 THR HG23 H 1 1.154 0.1 . 1 . . . . . . . . 6268 1 41 . 1 1 6 6 ALA N N 15 126.292 0.2 . 1 . . . . . . . . 6268 1 42 . 1 1 6 6 ALA H H 1 8.169 0.1 . 1 . . . . . . . . 6268 1 43 . 1 1 6 6 ALA CA C 13 52.192 0.2 . 1 . . . . . . . . 6268 1 44 . 1 1 6 6 ALA HA H 1 4.308 0.1 . 1 . . . . . . . . 6268 1 45 . 1 1 6 6 ALA CB C 13 19.428 0.2 . 1 . . . . . . . . 6268 1 46 . 1 1 6 6 ALA HB1 H 1 1.348 0.1 . 1 . . . . . . . . 6268 1 47 . 1 1 6 6 ALA HB2 H 1 1.348 0.1 . 1 . . . . . . . . 6268 1 48 . 1 1 6 6 ALA HB3 H 1 1.348 0.1 . 1 . . . . . . . . 6268 1 49 . 1 1 7 7 ASP N N 15 121.232 0.2 . 1 . . . . . . . . 6268 1 50 . 1 1 7 7 ASP H H 1 8.165 0.1 . 1 . . . . . . . . 6268 1 51 . 1 1 7 7 ASP CA C 13 52.685 0.2 . 1 . . . . . . . . 6268 1 52 . 1 1 7 7 ASP HA H 1 4.815 0.1 . 1 . . . . . . . . 6268 1 53 . 1 1 7 7 ASP CB C 13 41.317 0.2 . 1 . . . . . . . . 6268 1 54 . 1 1 7 7 ASP HB2 H 1 2.759 0.1 . 2 . . . . . . . . 6268 1 55 . 1 1 7 7 ASP HB3 H 1 2.633 0.1 . 2 . . . . . . . . 6268 1 56 . 1 1 8 8 PRO CA C 13 64.935 0.2 . 1 . . . . . . . . 6268 1 57 . 1 1 8 8 PRO HA H 1 4.225 0.1 . 1 . . . . . . . . 6268 1 58 . 1 1 8 8 PRO CB C 13 32.137 0.2 . 1 . . . . . . . . 6268 1 59 . 1 1 8 8 PRO HB2 H 1 2.337 0.1 . 2 . . . . . . . . 6268 1 60 . 1 1 8 8 PRO HB3 H 1 1.990 0.1 . 2 . . . . . . . . 6268 1 61 . 1 1 8 8 PRO CG C 13 27.556 0.2 . 1 . . . . . . . . 6268 1 62 . 1 1 8 8 PRO HG2 H 1 2.111 0.1 . 2 . . . . . . . . 6268 1 63 . 1 1 8 8 PRO HG3 H 1 2.038 0.1 . 2 . . . . . . . . 6268 1 64 . 1 1 8 8 PRO CD C 13 50.987 0.2 . 1 . . . . . . . . 6268 1 65 . 1 1 8 8 PRO HD3 H 1 3.873 0.1 . 2 . . . . . . . . 6268 1 66 . 1 1 9 9 GLU N N 15 118.339 0.2 . 1 . . . . . . . . 6268 1 67 . 1 1 9 9 GLU H H 1 8.231 0.1 . 1 . . . . . . . . 6268 1 68 . 1 1 9 9 GLU CA C 13 58.246 0.2 . 1 . . . . . . . . 6268 1 69 . 1 1 9 9 GLU HA H 1 4.134 0.1 . 1 . . . . . . . . 6268 1 70 . 1 1 9 9 GLU CB C 13 29.233 0.2 . 1 . . . . . . . . 6268 1 71 . 1 1 9 9 GLU HB2 H 1 2.071 0.1 . 2 . . . . . . . . 6268 1 72 . 1 1 9 9 GLU CG C 13 36.349 0.2 . 1 . . . . . . . . 6268 1 73 . 1 1 9 9 GLU HG2 H 1 2.327 0.1 . 2 . . . . . . . . 6268 1 74 . 1 1 9 9 GLU HG3 H 1 2.244 0.1 . 2 . . . . . . . . 6268 1 75 . 1 1 10 10 LYS N N 15 120.560 0.2 . 1 . . . . . . . . 6268 1 76 . 1 1 10 10 LYS H H 1 7.837 0.1 . 1 . . . . . . . . 6268 1 77 . 1 1 10 10 LYS CA C 13 58.151 0.2 . 1 . . . . . . . . 6268 1 78 . 1 1 10 10 LYS HA H 1 4.083 0.1 . 1 . . . . . . . . 6268 1 79 . 1 1 10 10 LYS CB C 13 32.115 0.2 . 1 . . . . . . . . 6268 1 80 . 1 1 10 10 LYS HB2 H 1 1.858 0.1 . 2 . . . . . . . . 6268 1 81 . 1 1 10 10 LYS CE C 13 41.874 0.2 . 1 . . . . . . . . 6268 1 82 . 1 1 10 10 LYS HE2 H 1 2.931 0.1 . 2 . . . . . . . . 6268 1 83 . 1 1 11 11 ARG N N 15 118.415 0.2 . 1 . . . . . . . . 6268 1 84 . 1 1 11 11 ARG H H 1 8.089 0.1 . 1 . . . . . . . . 6268 1 85 . 1 1 11 11 ARG CA C 13 58.681 0.2 . 1 . . . . . . . . 6268 1 86 . 1 1 11 11 ARG HA H 1 3.944 0.1 . 1 . . . . . . . . 6268 1 87 . 1 1 11 11 ARG CB C 13 30.160 0.2 . 1 . . . . . . . . 6268 1 88 . 1 1 11 11 ARG HB2 H 1 1.824 0.1 . 2 . . . . . . . . 6268 1 89 . 1 1 11 11 ARG CG C 13 27.331 0.2 . 1 . . . . . . . . 6268 1 90 . 1 1 11 11 ARG HG2 H 1 1.646 0.1 . 2 . . . . . . . . 6268 1 91 . 1 1 11 11 ARG CD C 13 43.490 0.2 . 1 . . . . . . . . 6268 1 92 . 1 1 11 11 ARG HD2 H 1 3.100 0.1 . 2 . . . . . . . . 6268 1 93 . 1 1 12 12 LYS N N 15 118.614 0.2 . 1 . . . . . . . . 6268 1 94 . 1 1 12 12 LYS H H 1 7.679 0.1 . 1 . . . . . . . . 6268 1 95 . 1 1 12 12 LYS CA C 13 58.584 0.2 . 1 . . . . . . . . 6268 1 96 . 1 1 12 12 LYS HA H 1 4.111 0.1 . 1 . . . . . . . . 6268 1 97 . 1 1 12 12 LYS CB C 13 32.121 0.2 . 1 . . . . . . . . 6268 1 98 . 1 1 12 12 LYS HB2 H 1 1.828 0.1 . 2 . . . . . . . . 6268 1 99 . 1 1 12 12 LYS CG C 13 25.115 0.2 . 1 . . . . . . . . 6268 1 100 . 1 1 12 12 LYS HG2 H 1 1.540 0.1 . 2 . . . . . . . . 6268 1 101 . 1 1 12 12 LYS HG3 H 1 1.381 0.1 . 2 . . . . . . . . 6268 1 102 . 1 1 12 12 LYS CD C 13 29.206 0.2 . 1 . . . . . . . . 6268 1 103 . 1 1 12 12 LYS HD2 H 1 1.690 0.1 . 2 . . . . . . . . 6268 1 104 . 1 1 12 12 LYS CE C 13 41.765 0.2 . 1 . . . . . . . . 6268 1 105 . 1 1 12 12 LYS HE2 H 1 2.944 0.1 . 2 . . . . . . . . 6268 1 106 . 1 1 13 13 LEU N N 15 119.796 0.2 . 1 . . . . . . . . 6268 1 107 . 1 1 13 13 LEU H H 1 7.542 0.1 . 1 . . . . . . . . 6268 1 108 . 1 1 13 13 LEU CA C 13 57.959 0.2 . 1 . . . . . . . . 6268 1 109 . 1 1 13 13 LEU HA H 1 4.056 0.1 . 1 . . . . . . . . 6268 1 110 . 1 1 13 13 LEU CD1 C 13 23.396 0.2 . 2 . . . . . . . . 6268 1 111 . 1 1 13 13 LEU HD11 H 1 0.857 0.1 . 1 . . . . . . . . 6268 1 112 . 1 1 13 13 LEU HD12 H 1 0.857 0.1 . 1 . . . . . . . . 6268 1 113 . 1 1 13 13 LEU HD13 H 1 0.857 0.1 . 1 . . . . . . . . 6268 1 114 . 1 1 13 13 LEU CD2 C 13 24.958 0.2 . 2 . . . . . . . . 6268 1 115 . 1 1 13 13 LEU HD21 H 1 0.897 0.1 . 1 . . . . . . . . 6268 1 116 . 1 1 13 13 LEU HD22 H 1 0.897 0.1 . 1 . . . . . . . . 6268 1 117 . 1 1 13 13 LEU HD23 H 1 0.897 0.1 . 1 . . . . . . . . 6268 1 118 . 1 1 14 14 ILE N N 15 120.847 0.2 . 1 . . . . . . . . 6268 1 119 . 1 1 14 14 ILE H H 1 7.968 0.1 . 1 . . . . . . . . 6268 1 120 . 1 1 14 14 ILE CA C 13 64.150 0.2 . 1 . . . . . . . . 6268 1 121 . 1 1 14 14 ILE HA H 1 3.786 0.1 . 1 . . . . . . . . 6268 1 122 . 1 1 14 14 ILE CB C 13 37.805 0.2 . 1 . . . . . . . . 6268 1 123 . 1 1 14 14 ILE HB H 1 1.904 0.1 . 1 . . . . . . . . 6268 1 124 . 1 1 14 14 ILE CG1 C 13 28.636 0.2 . 2 . . . . . . . . 6268 1 125 . 1 1 14 14 ILE HG12 H 1 1.611 0.1 . 9 . . . . . . . . 6268 1 126 . 1 1 14 14 ILE HG13 H 1 1.155 0.1 . 9 . . . . . . . . 6268 1 127 . 1 1 14 14 ILE CD1 C 13 12.989 0.2 . 1 . . . . . . . . 6268 1 128 . 1 1 14 14 ILE HD11 H 1 0.773 0.1 . 1 . . . . . . . . 6268 1 129 . 1 1 14 14 ILE HD12 H 1 0.773 0.1 . 1 . . . . . . . . 6268 1 130 . 1 1 14 14 ILE HD13 H 1 0.773 0.1 . 1 . . . . . . . . 6268 1 131 . 1 1 14 14 ILE CG2 C 13 17.483 0.2 . 2 . . . . . . . . 6268 1 132 . 1 1 14 14 ILE HG21 H 1 0.864 0.1 . 1 . . . . . . . . 6268 1 133 . 1 1 14 14 ILE HG22 H 1 0.864 0.1 . 1 . . . . . . . . 6268 1 134 . 1 1 14 14 ILE HG23 H 1 0.864 0.1 . 1 . . . . . . . . 6268 1 135 . 1 1 15 15 GLN N N 15 118.669 0.2 . 1 . . . . . . . . 6268 1 136 . 1 1 15 15 GLN H H 1 8.210 0.1 . 1 . . . . . . . . 6268 1 137 . 1 1 15 15 GLN CA C 13 59.326 0.2 . 1 . . . . . . . . 6268 1 138 . 1 1 15 15 GLN HA H 1 3.907 0.1 . 1 . . . . . . . . 6268 1 139 . 1 1 15 15 GLN CB C 13 28.667 0.2 . 1 . . . . . . . . 6268 1 140 . 1 1 15 15 GLN HB2 H 1 2.267 0.1 . 2 . . . . . . . . 6268 1 141 . 1 1 15 15 GLN HB3 H 1 2.116 0.1 . 2 . . . . . . . . 6268 1 142 . 1 1 15 15 GLN CG C 13 34.178 0.2 . 1 . . . . . . . . 6268 1 143 . 1 1 15 15 GLN HG2 H 1 2.546 0.1 . 2 . . . . . . . . 6268 1 144 . 1 1 15 15 GLN HG3 H 1 2.432 0.1 . 2 . . . . . . . . 6268 1 145 . 1 1 16 16 GLN N N 15 116.849 0.2 . 1 . . . . . . . . 6268 1 146 . 1 1 16 16 GLN H H 1 8.158 0.1 . 1 . . . . . . . . 6268 1 147 . 1 1 16 16 GLN CA C 13 58.975 0.2 . 1 . . . . . . . . 6268 1 148 . 1 1 16 16 GLN HA H 1 3.968 0.1 . 1 . . . . . . . . 6268 1 149 . 1 1 16 16 GLN CB C 13 28.432 0.2 . 1 . . . . . . . . 6268 1 150 . 1 1 16 16 GLN HB2 H 1 2.175 0.1 . 2 . . . . . . . . 6268 1 151 . 1 1 16 16 GLN HB3 H 1 2.079 0.1 . 2 . . . . . . . . 6268 1 152 . 1 1 17 17 GLN N N 15 120.578 0.2 . 1 . . . . . . . . 6268 1 153 . 1 1 17 17 GLN H H 1 7.936 0.1 . 1 . . . . . . . . 6268 1 154 . 1 1 17 17 GLN CB C 13 28.201 0.2 . 1 . . . . . . . . 6268 1 155 . 1 1 17 17 GLN HB2 H 1 2.197 0.1 . 2 . . . . . . . . 6268 1 156 . 1 1 17 17 GLN HB3 H 1 1.995 0.1 . 2 . . . . . . . . 6268 1 157 . 1 1 17 17 GLN CG C 13 33.609 0.2 . 1 . . . . . . . . 6268 1 158 . 1 1 17 17 GLN HG2 H 1 2.343 0.1 . 2 . . . . . . . . 6268 1 159 . 1 1 17 17 GLN HG3 H 1 2.212 0.1 . 2 . . . . . . . . 6268 1 160 . 1 1 18 18 LEU N N 15 120.589 0.2 . 1 . . . . . . . . 6268 1 161 . 1 1 18 18 LEU H H 1 8.442 0.1 . 1 . . . . . . . . 6268 1 162 . 1 1 18 18 LEU CA C 13 58.365 0.2 . 1 . . . . . . . . 6268 1 163 . 1 1 18 18 LEU HA H 1 3.968 0.1 . 1 . . . . . . . . 6268 1 164 . 1 1 18 18 LEU CD1 C 13 23.697 0.2 . 2 . . . . . . . . 6268 1 165 . 1 1 18 18 LEU HD11 H 1 0.815 0.1 . 1 . . . . . . . . 6268 1 166 . 1 1 18 18 LEU HD12 H 1 0.815 0.1 . 1 . . . . . . . . 6268 1 167 . 1 1 18 18 LEU HD13 H 1 0.815 0.1 . 1 . . . . . . . . 6268 1 168 . 1 1 18 18 LEU CD2 C 13 23.038 0.2 . 2 . . . . . . . . 6268 1 169 . 1 1 18 18 LEU HD21 H 1 0.704 0.1 . 1 . . . . . . . . 6268 1 170 . 1 1 18 18 LEU HD22 H 1 0.704 0.1 . 1 . . . . . . . . 6268 1 171 . 1 1 18 18 LEU HD23 H 1 0.704 0.1 . 1 . . . . . . . . 6268 1 172 . 1 1 19 19 VAL N N 15 117.353 0.2 . 1 . . . . . . . . 6268 1 173 . 1 1 19 19 VAL H H 1 8.152 0.1 . 1 . . . . . . . . 6268 1 174 . 1 1 19 19 VAL CA C 13 66.779 0.2 . 1 . . . . . . . . 6268 1 175 . 1 1 19 19 VAL HA H 1 3.471 0.1 . 1 . . . . . . . . 6268 1 176 . 1 1 19 19 VAL CB C 13 31.849 0.2 . 1 . . . . . . . . 6268 1 177 . 1 1 19 19 VAL HB H 1 2.124 0.1 . 1 . . . . . . . . 6268 1 178 . 1 1 19 19 VAL CG2 C 13 23.243 0.2 . 2 . . . . . . . . 6268 1 179 . 1 1 19 19 VAL HG21 H 1 1.070 0.1 . 1 . . . . . . . . 6268 1 180 . 1 1 19 19 VAL HG22 H 1 1.070 0.1 . 1 . . . . . . . . 6268 1 181 . 1 1 19 19 VAL HG23 H 1 1.070 0.1 . 1 . . . . . . . . 6268 1 182 . 1 1 19 19 VAL CG1 C 13 21.105 0.2 . 2 . . . . . . . . 6268 1 183 . 1 1 19 19 VAL HG11 H 1 0.920 0.1 . 1 . . . . . . . . 6268 1 184 . 1 1 19 19 VAL HG12 H 1 0.920 0.1 . 1 . . . . . . . . 6268 1 185 . 1 1 19 19 VAL HG13 H 1 0.920 0.1 . 1 . . . . . . . . 6268 1 186 . 1 1 20 20 LEU N N 15 120.905 0.2 . 1 . . . . . . . . 6268 1 187 . 1 1 20 20 LEU H H 1 7.536 0.1 . 1 . . . . . . . . 6268 1 188 . 1 1 21 21 LEU N N 15 122.011 0.2 . 1 . . . . . . . . 6268 1 189 . 1 1 21 21 LEU H H 1 8.532 0.1 . 1 . . . . . . . . 6268 1 190 . 1 1 21 21 LEU CA C 13 57.599 0.2 . 1 . . . . . . . . 6268 1 191 . 1 1 21 21 LEU HA H 1 4.110 0.1 . 1 . . . . . . . . 6268 1 192 . 1 1 21 21 LEU CB C 13 41.673 0.2 . 1 . . . . . . . . 6268 1 193 . 1 1 21 21 LEU HB2 H 1 1.800 0.1 . 2 . . . . . . . . 6268 1 194 . 1 1 21 21 LEU HB3 H 1 1.617 0.1 . 2 . . . . . . . . 6268 1 195 . 1 1 21 21 LEU CD1 C 13 23.436 0.2 . 2 . . . . . . . . 6268 1 196 . 1 1 21 21 LEU HD11 H 1 0.834 0.1 . 1 . . . . . . . . 6268 1 197 . 1 1 21 21 LEU HD12 H 1 0.834 0.1 . 1 . . . . . . . . 6268 1 198 . 1 1 21 21 LEU HD13 H 1 0.834 0.1 . 1 . . . . . . . . 6268 1 199 . 1 1 21 21 LEU CD2 C 13 23.996 0.2 . 2 . . . . . . . . 6268 1 200 . 1 1 21 21 LEU HD21 H 1 0.870 0.1 . 1 . . . . . . . . 6268 1 201 . 1 1 21 21 LEU HD22 H 1 0.870 0.1 . 1 . . . . . . . . 6268 1 202 . 1 1 21 21 LEU HD23 H 1 0.870 0.1 . 1 . . . . . . . . 6268 1 203 . 1 1 22 22 LEU N N 15 118.365 0.2 . 1 . . . . . . . . 6268 1 204 . 1 1 22 22 LEU H H 1 8.440 0.1 . 1 . . . . . . . . 6268 1 205 . 1 1 22 22 LEU CA C 13 57.580 0.2 . 1 . . . . . . . . 6268 1 206 . 1 1 22 22 LEU HA H 1 3.950 0.1 . 1 . . . . . . . . 6268 1 207 . 1 1 22 22 LEU CB C 13 40.635 0.2 . 1 . . . . . . . . 6268 1 208 . 1 1 22 22 LEU HB2 H 1 1.657 0.1 . 2 . . . . . . . . 6268 1 209 . 1 1 22 22 LEU HB3 H 1 1.365 0.1 . 2 . . . . . . . . 6268 1 210 . 1 1 22 22 LEU CG C 13 26.547 0.2 . 1 . . . . . . . . 6268 1 211 . 1 1 22 22 LEU HG H 1 1.424 0.1 . 1 . . . . . . . . 6268 1 212 . 1 1 22 22 LEU CD1 C 13 24.563 0.2 . 2 . . . . . . . . 6268 1 213 . 1 1 22 22 LEU HD11 H 1 0.767 0.1 . 2 . . . . . . . . 6268 1 214 . 1 1 22 22 LEU HD12 H 1 0.767 0.1 . 2 . . . . . . . . 6268 1 215 . 1 1 22 22 LEU HD13 H 1 0.767 0.1 . 2 . . . . . . . . 6268 1 216 . 1 1 22 22 LEU CD2 C 13 22.111 0.2 . 2 . . . . . . . . 6268 1 217 . 1 1 22 22 LEU HD21 H 1 0.246 0.1 . 2 . . . . . . . . 6268 1 218 . 1 1 22 22 LEU HD22 H 1 0.246 0.1 . 2 . . . . . . . . 6268 1 219 . 1 1 22 22 LEU HD23 H 1 0.246 0.1 . 2 . . . . . . . . 6268 1 220 . 1 1 23 23 HIS N N 15 117.937 0.2 . 1 . . . . . . . . 6268 1 221 . 1 1 23 23 HIS H H 1 8.103 0.1 . 1 . . . . . . . . 6268 1 222 . 1 1 24 24 ALA N N 15 122.037 0.2 . 1 . . . . . . . . 6268 1 223 . 1 1 24 24 ALA H H 1 8.968 0.1 . 1 . . . . . . . . 6268 1 224 . 1 1 24 24 ALA CA C 13 55.303 0.2 . 1 . . . . . . . . 6268 1 225 . 1 1 24 24 ALA HA H 1 3.998 0.1 . 1 . . . . . . . . 6268 1 226 . 1 1 24 24 ALA CB C 13 18.883 0.2 . 1 . . . . . . . . 6268 1 227 . 1 1 24 24 ALA HB1 H 1 1.503 0.1 . 1 . . . . . . . . 6268 1 228 . 1 1 24 24 ALA HB2 H 1 1.503 0.1 . 1 . . . . . . . . 6268 1 229 . 1 1 24 24 ALA HB3 H 1 1.503 0.1 . 1 . . . . . . . . 6268 1 230 . 1 1 25 25 HIS N N 15 115.939 0.2 . 1 . . . . . . . . 6268 1 231 . 1 1 25 25 HIS H H 1 8.137 0.1 . 1 . . . . . . . . 6268 1 232 . 1 1 25 25 HIS CA C 13 59.671 0.2 . 1 . . . . . . . . 6268 1 233 . 1 1 25 25 HIS HA H 1 4.143 0.1 . 1 . . . . . . . . 6268 1 234 . 1 1 25 25 HIS CB C 13 30.742 0.2 . 1 . . . . . . . . 6268 1 235 . 1 1 25 25 HIS HB2 H 1 3.155 0.1 . 2 . . . . . . . . 6268 1 236 . 1 1 26 26 LYS N N 15 117.524 0.2 . 1 . . . . . . . . 6268 1 237 . 1 1 26 26 LYS H H 1 7.142 0.1 . 1 . . . . . . . . 6268 1 238 . 1 1 26 26 LYS CB C 13 32.890 0.2 . 1 . . . . . . . . 6268 1 239 . 1 1 26 26 LYS HB2 H 1 1.797 0.1 . 2 . . . . . . . . 6268 1 240 . 1 1 26 26 LYS CD C 13 29.175 0.2 . 1 . . . . . . . . 6268 1 241 . 1 1 26 26 LYS HD2 H 1 1.635 0.1 . 2 . . . . . . . . 6268 1 242 . 1 1 26 26 LYS CE C 13 41.748 0.2 . 1 . . . . . . . . 6268 1 243 . 1 1 26 26 LYS HE2 H 1 2.906 0.1 . 2 . . . . . . . . 6268 1 244 . 1 1 27 27 CYS N N 15 124.318 0.2 . 1 . . . . . . . . 6268 1 245 . 1 1 27 27 CYS H H 1 8.413 0.1 . 1 . . . . . . . . 6268 1 246 . 1 1 27 27 CYS CA C 13 62.340 0.2 . 1 . . . . . . . . 6268 1 247 . 1 1 27 27 CYS HA H 1 3.725 0.1 . 1 . . . . . . . . 6268 1 248 . 1 1 27 27 CYS CB C 13 29.171 0.2 . 1 . . . . . . . . 6268 1 249 . 1 1 27 27 CYS HB2 H 1 2.477 0.1 . 2 . . . . . . . . 6268 1 250 . 1 1 27 27 CYS HB3 H 1 2.063 0.1 . 2 . . . . . . . . 6268 1 251 . 1 1 28 28 GLN N N 15 120.773 0.2 . 1 . . . . . . . . 6268 1 252 . 1 1 28 28 GLN H H 1 8.298 0.1 . 1 . . . . . . . . 6268 1 253 . 1 1 29 29 ARG N N 15 119.737 0.2 . 1 . . . . . . . . 6268 1 254 . 1 1 29 29 ARG H H 1 7.683 0.1 . 1 . . . . . . . . 6268 1 255 . 1 1 29 29 ARG CA C 13 57.604 0.2 . 1 . . . . . . . . 6268 1 256 . 1 1 29 29 ARG HA H 1 4.121 0.1 . 1 . . . . . . . . 6268 1 257 . 1 1 29 29 ARG CB C 13 30.006 0.2 . 1 . . . . . . . . 6268 1 258 . 1 1 29 29 ARG HB2 H 1 1.843 0.1 . 2 . . . . . . . . 6268 1 259 . 1 1 29 29 ARG HB3 H 1 1.758 0.1 . 2 . . . . . . . . 6268 1 260 . 1 1 29 29 ARG CG C 13 27.403 0.2 . 1 . . . . . . . . 6268 1 261 . 1 1 29 29 ARG HG2 H 1 1.662 0.1 . 2 . . . . . . . . 6268 1 262 . 1 1 29 29 ARG HG3 H 1 1.580 0.1 . 2 . . . . . . . . 6268 1 263 . 1 1 29 29 ARG CD C 13 43.164 0.2 . 1 . . . . . . . . 6268 1 264 . 1 1 29 29 ARG HD2 H 1 3.118 0.1 . 2 . . . . . . . . 6268 1 265 . 1 1 30 30 ARG N N 15 120.876 0.2 . 1 . . . . . . . . 6268 1 266 . 1 1 30 30 ARG H H 1 8.020 0.1 . 1 . . . . . . . . 6268 1 267 . 1 1 30 30 ARG CA C 13 57.183 0.2 . 1 . . . . . . . . 6268 1 268 . 1 1 30 30 ARG HA H 1 4.238 0.1 . 1 . . . . . . . . 6268 1 269 . 1 1 30 30 ARG CB C 13 30.671 0.2 . 1 . . . . . . . . 6268 1 270 . 1 1 30 30 ARG HB2 H 1 1.886 0.1 . 2 . . . . . . . . 6268 1 271 . 1 1 30 30 ARG HB3 H 1 1.819 0.1 . 2 . . . . . . . . 6268 1 272 . 1 1 30 30 ARG CG C 13 26.982 0.2 . 1 . . . . . . . . 6268 1 273 . 1 1 30 30 ARG HG2 H 1 1.690 0.1 . 2 . . . . . . . . 6268 1 274 . 1 1 30 30 ARG HG3 H 1 1.595 0.1 . 2 . . . . . . . . 6268 1 275 . 1 1 30 30 ARG CD C 13 43.375 0.2 . 1 . . . . . . . . 6268 1 276 . 1 1 30 30 ARG HD2 H 1 3.196 0.1 . 2 . . . . . . . . 6268 1 277 . 1 1 31 31 GLU N N 15 120.751 0.2 . 1 . . . . . . . . 6268 1 278 . 1 1 31 31 GLU H H 1 8.229 0.1 . 1 . . . . . . . . 6268 1 279 . 1 1 31 31 GLU CA C 13 57.576 0.2 . 1 . . . . . . . . 6268 1 280 . 1 1 31 31 GLU HA H 1 4.200 0.1 . 1 . . . . . . . . 6268 1 281 . 1 1 31 31 GLU CB C 13 30.001 0.2 . 1 . . . . . . . . 6268 1 282 . 1 1 31 31 GLU HB2 H 1 2.042 0.1 . 2 . . . . . . . . 6268 1 283 . 1 1 31 31 GLU CG C 13 36.525 0.2 . 1 . . . . . . . . 6268 1 284 . 1 1 31 31 GLU HG2 H 1 2.341 0.1 . 2 . . . . . . . . 6268 1 285 . 1 1 31 31 GLU HG3 H 1 2.275 0.1 . 2 . . . . . . . . 6268 1 286 . 1 1 32 32 GLN N N 15 119.343 0.2 . 1 . . . . . . . . 6268 1 287 . 1 1 32 32 GLN H H 1 8.163 0.1 . 1 . . . . . . . . 6268 1 288 . 1 1 33 33 ALA N N 15 123.207 0.2 . 1 . . . . . . . . 6268 1 289 . 1 1 33 33 ALA H H 1 8.104 0.1 . 1 . . . . . . . . 6268 1 290 . 1 1 33 33 ALA CA C 13 53.186 0.2 . 1 . . . . . . . . 6268 1 291 . 1 1 33 33 ALA HA H 1 4.264 0.1 . 1 . . . . . . . . 6268 1 292 . 1 1 33 33 ALA CB C 13 19.051 0.2 . 1 . . . . . . . . 6268 1 293 . 1 1 33 33 ALA HB1 H 1 1.393 0.1 . 1 . . . . . . . . 6268 1 294 . 1 1 33 33 ALA HB2 H 1 1.393 0.1 . 1 . . . . . . . . 6268 1 295 . 1 1 33 33 ALA HB3 H 1 1.393 0.1 . 1 . . . . . . . . 6268 1 296 . 1 1 34 34 ASN N N 15 115.748 0.2 . 1 . . . . . . . . 6268 1 297 . 1 1 34 34 ASN H H 1 8.170 0.1 . 1 . . . . . . . . 6268 1 298 . 1 1 34 34 ASN CA C 13 53.190 0.2 . 1 . . . . . . . . 6268 1 299 . 1 1 34 34 ASN HA H 1 4.665 0.1 . 1 . . . . . . . . 6268 1 300 . 1 1 34 34 ASN CB C 13 38.713 0.2 . 1 . . . . . . . . 6268 1 301 . 1 1 34 34 ASN HB2 H 1 2.855 0.1 . 2 . . . . . . . . 6268 1 302 . 1 1 35 35 GLY N N 15 108.778 0.2 . 1 . . . . . . . . 6268 1 303 . 1 1 35 35 GLY H H 1 8.243 0.1 . 1 . . . . . . . . 6268 1 304 . 1 1 35 35 GLY CA C 13 45.512 0.2 . 1 . . . . . . . . 6268 1 305 . 1 1 35 35 GLY HA3 H 1 3.871 0.1 . 2 . . . . . . . . 6268 1 306 . 1 1 35 35 GLY HA2 H 1 4.000 0.1 . 2 . . . . . . . . 6268 1 307 . 1 1 36 36 GLU N N 15 120.196 0.2 . 1 . . . . . . . . 6268 1 308 . 1 1 36 36 GLU H H 1 8.076 0.1 . 1 . . . . . . . . 6268 1 309 . 1 1 36 36 GLU CA C 13 56.255 0.2 . 1 . . . . . . . . 6268 1 310 . 1 1 36 36 GLU HA H 1 4.270 0.1 . 1 . . . . . . . . 6268 1 311 . 1 1 36 36 GLU CB C 13 30.424 0.2 . 1 . . . . . . . . 6268 1 312 . 1 1 36 36 GLU HB2 H 1 2.000 0.1 . 2 . . . . . . . . 6268 1 313 . 1 1 36 36 GLU HB3 H 1 1.908 0.1 . 2 . . . . . . . . 6268 1 314 . 1 1 36 36 GLU CG C 13 36.284 0.2 . 1 . . . . . . . . 6268 1 315 . 1 1 36 36 GLU HG2 H 1 2.212 0.1 . 2 . . . . . . . . 6268 1 316 . 1 1 36 36 GLU HG3 H 1 2.153 0.1 . 2 . . . . . . . . 6268 1 317 . 1 1 37 37 VAL N N 15 121.673 0.2 . 1 . . . . . . . . 6268 1 318 . 1 1 37 37 VAL H H 1 8.136 0.1 . 1 . . . . . . . . 6268 1 319 . 1 1 37 37 VAL CA C 13 62.299 0.2 . 1 . . . . . . . . 6268 1 320 . 1 1 37 37 VAL HA H 1 4.088 0.1 . 1 . . . . . . . . 6268 1 321 . 1 1 37 37 VAL CB C 13 32.689 0.2 . 1 . . . . . . . . 6268 1 322 . 1 1 37 37 VAL HB H 1 2.022 0.1 . 1 . . . . . . . . 6268 1 323 . 1 1 37 37 VAL CG2 C 13 21.277 0.2 . 2 . . . . . . . . 6268 1 324 . 1 1 37 37 VAL HG21 H 1 0.874 0.1 . 1 . . . . . . . . 6268 1 325 . 1 1 37 37 VAL HG22 H 1 0.874 0.1 . 1 . . . . . . . . 6268 1 326 . 1 1 37 37 VAL HG23 H 1 0.874 0.1 . 1 . . . . . . . . 6268 1 327 . 1 1 37 37 VAL CG1 C 13 20.760 0.2 . 2 . . . . . . . . 6268 1 328 . 1 1 37 37 VAL HG11 H 1 0.908 0.1 . 1 . . . . . . . . 6268 1 329 . 1 1 37 37 VAL HG12 H 1 0.908 0.1 . 1 . . . . . . . . 6268 1 330 . 1 1 37 37 VAL HG13 H 1 0.908 0.1 . 1 . . . . . . . . 6268 1 331 . 1 1 38 38 ARG N N 15 125.488 0.2 . 1 . . . . . . . . 6268 1 332 . 1 1 38 38 ARG H H 1 8.448 0.1 . 1 . . . . . . . . 6268 1 333 . 1 1 38 38 ARG CA C 13 55.362 0.2 . 1 . . . . . . . . 6268 1 334 . 1 1 38 38 ARG HA H 1 4.347 0.1 . 1 . . . . . . . . 6268 1 335 . 1 1 38 38 ARG CB C 13 31.030 0.2 . 1 . . . . . . . . 6268 1 336 . 1 1 38 38 ARG HB2 H 1 1.795 0.1 . 2 . . . . . . . . 6268 1 337 . 1 1 38 38 ARG HB3 H 1 1.703 0.1 . 2 . . . . . . . . 6268 1 338 . 1 1 38 38 ARG CG C 13 27.126 0.2 . 1 . . . . . . . . 6268 1 339 . 1 1 38 38 ARG HG2 H 1 1.593 0.1 . 2 . . . . . . . . 6268 1 340 . 1 1 38 38 ARG CD C 13 43.185 0.2 . 1 . . . . . . . . 6268 1 341 . 1 1 38 38 ARG HD2 H 1 3.166 0.1 . 2 . . . . . . . . 6268 1 342 . 1 1 39 39 ALA N N 15 126.139 0.2 . 1 . . . . . . . . 6268 1 343 . 1 1 39 39 ALA H H 1 8.370 0.1 . 1 . . . . . . . . 6268 1 344 . 1 1 39 39 ALA CA C 13 52.120 0.2 . 1 . . . . . . . . 6268 1 345 . 1 1 39 39 ALA HA H 1 4.228 0.1 . 1 . . . . . . . . 6268 1 346 . 1 1 39 39 ALA CB C 13 19.372 0.2 . 1 . . . . . . . . 6268 1 347 . 1 1 39 39 ALA HB1 H 1 1.306 0.1 . 1 . . . . . . . . 6268 1 348 . 1 1 39 39 ALA HB2 H 1 1.306 0.1 . 1 . . . . . . . . 6268 1 349 . 1 1 39 39 ALA HB3 H 1 1.306 0.1 . 1 . . . . . . . . 6268 1 350 . 1 1 40 40 CYS N N 15 123.983 0.2 . 1 . . . . . . . . 6268 1 351 . 1 1 40 40 CYS H H 1 8.457 0.1 . 1 . . . . . . . . 6268 1 352 . 1 1 40 40 CYS CA C 13 60.060 0.2 . 1 . . . . . . . . 6268 1 353 . 1 1 40 40 CYS HA H 1 4.292 0.1 . 1 . . . . . . . . 6268 1 354 . 1 1 40 40 CYS CB C 13 30.091 0.2 . 1 . . . . . . . . 6268 1 355 . 1 1 40 40 CYS HB2 H 1 2.800 0.1 . 2 . . . . . . . . 6268 1 356 . 1 1 41 41 SER N N 15 123.967 0.2 . 1 . . . . . . . . 6268 1 357 . 1 1 41 41 SER H H 1 8.734 0.1 . 1 . . . . . . . . 6268 1 358 . 1 1 41 41 SER CA C 13 57.764 0.2 . 1 . . . . . . . . 6268 1 359 . 1 1 41 41 SER HA H 1 4.528 0.1 . 1 . . . . . . . . 6268 1 360 . 1 1 41 41 SER CB C 13 63.755 0.2 . 1 . . . . . . . . 6268 1 361 . 1 1 41 41 SER HB2 H 1 4.006 0.1 . 2 . . . . . . . . 6268 1 362 . 1 1 41 41 SER HB3 H 1 3.814 0.1 . 2 . . . . . . . . 6268 1 363 . 1 1 42 42 LEU N N 15 130.137 0.2 . 1 . . . . . . . . 6268 1 364 . 1 1 42 42 LEU H H 1 8.667 0.1 . 1 . . . . . . . . 6268 1 365 . 1 1 42 42 LEU CA C 13 54.056 0.2 . 1 . . . . . . . . 6268 1 366 . 1 1 42 42 LEU HA H 1 4.419 0.1 . 1 . . . . . . . . 6268 1 367 . 1 1 42 42 LEU CB C 13 41.465 0.2 . 1 . . . . . . . . 6268 1 368 . 1 1 42 42 LEU HB2 H 1 1.342 0.1 . 2 . . . . . . . . 6268 1 369 . 1 1 42 42 LEU HB3 H 1 1.311 0.1 . 2 . . . . . . . . 6268 1 370 . 1 1 42 42 LEU CG C 13 27.024 0.2 . 1 . . . . . . . . 6268 1 371 . 1 1 42 42 LEU HG H 1 1.439 0.1 . 1 . . . . . . . . 6268 1 372 . 1 1 42 42 LEU CD1 C 13 24.132 0.2 . 2 . . . . . . . . 6268 1 373 . 1 1 42 42 LEU HD11 H 1 0.524 0.1 . 1 . . . . . . . . 6268 1 374 . 1 1 42 42 LEU HD12 H 1 0.524 0.1 . 1 . . . . . . . . 6268 1 375 . 1 1 42 42 LEU HD13 H 1 0.524 0.1 . 1 . . . . . . . . 6268 1 376 . 1 1 42 42 LEU CD2 C 13 23.560 0.2 . 2 . . . . . . . . 6268 1 377 . 1 1 42 42 LEU HD21 H 1 0.382 0.1 . 1 . . . . . . . . 6268 1 378 . 1 1 42 42 LEU HD22 H 1 0.382 0.1 . 1 . . . . . . . . 6268 1 379 . 1 1 42 42 LEU HD23 H 1 0.382 0.1 . 1 . . . . . . . . 6268 1 380 . 1 1 43 43 PRO CA C 13 62.477 0.2 . 1 . . . . . . . . 6268 1 381 . 1 1 43 43 PRO HA H 1 4.669 0.1 . 1 . . . . . . . . 6268 1 382 . 1 1 43 43 PRO CB C 13 34.776 0.2 . 1 . . . . . . . . 6268 1 383 . 1 1 43 43 PRO HB2 H 1 2.378 0.1 . 2 . . . . . . . . 6268 1 384 . 1 1 43 43 PRO HB3 H 1 2.101 0.1 . 2 . . . . . . . . 6268 1 385 . 1 1 43 43 PRO CD C 13 50.321 0.2 . 1 . . . . . . . . 6268 1 386 . 1 1 43 43 PRO HD2 H 1 3.552 0.1 . 2 . . . . . . . . 6268 1 387 . 1 1 43 43 PRO HD3 H 1 3.511 0.1 . 2 . . . . . . . . 6268 1 388 . 1 1 44 44 HIS N N 15 112.946 0.2 . 1 . . . . . . . . 6268 1 389 . 1 1 44 44 HIS H H 1 8.345 0.1 . 1 . . . . . . . . 6268 1 390 . 1 1 45 45 CYS N N 15 123.980 0.2 . 1 . . . . . . . . 6268 1 391 . 1 1 45 45 CYS H H 1 7.565 0.1 . 1 . . . . . . . . 6268 1 392 . 1 1 45 45 CYS CA C 13 64.298 0.2 . 1 . . . . . . . . 6268 1 393 . 1 1 45 45 CYS HA H 1 3.976 0.1 . 1 . . . . . . . . 6268 1 394 . 1 1 45 45 CYS CB C 13 28.987 0.2 . 1 . . . . . . . . 6268 1 395 . 1 1 45 45 CYS HB2 H 1 3.074 0.1 . 2 . . . . . . . . 6268 1 396 . 1 1 45 45 CYS HB3 H 1 2.699 0.1 . 2 . . . . . . . . 6268 1 397 . 1 1 46 46 ARG N N 15 117.210 0.2 . 1 . . . . . . . . 6268 1 398 . 1 1 46 46 ARG H H 1 8.285 0.1 . 1 . . . . . . . . 6268 1 399 . 1 1 46 46 ARG CA C 13 59.558 0.2 . 1 . . . . . . . . 6268 1 400 . 1 1 46 46 ARG HA H 1 3.915 0.1 . 1 . . . . . . . . 6268 1 401 . 1 1 46 46 ARG CB C 13 29.078 0.2 . 1 . . . . . . . . 6268 1 402 . 1 1 46 46 ARG HB2 H 1 1.927 0.1 . 2 . . . . . . . . 6268 1 403 . 1 1 46 46 ARG CG C 13 26.537 0.2 . 1 . . . . . . . . 6268 1 404 . 1 1 46 46 ARG HG2 H 1 1.700 0.1 . 2 . . . . . . . . 6268 1 405 . 1 1 46 46 ARG CD C 13 42.912 0.2 . 1 . . . . . . . . 6268 1 406 . 1 1 46 46 ARG HD2 H 1 3.243 0.1 . 2 . . . . . . . . 6268 1 407 . 1 1 47 47 THR N N 15 114.408 0.2 . 1 . . . . . . . . 6268 1 408 . 1 1 47 47 THR H H 1 7.732 0.1 . 1 . . . . . . . . 6268 1 409 . 1 1 47 47 THR CA C 13 66.109 0.2 . 1 . . . . . . . . 6268 1 410 . 1 1 47 47 THR HA H 1 3.966 0.1 . 1 . . . . . . . . 6268 1 411 . 1 1 47 47 THR CB C 13 68.667 0.2 . 1 . . . . . . . . 6268 1 412 . 1 1 47 47 THR HB H 1 4.225 0.1 . 1 . . . . . . . . 6268 1 413 . 1 1 47 47 THR CG2 C 13 21.935 0.2 . 1 . . . . . . . . 6268 1 414 . 1 1 47 47 THR HG21 H 1 1.254 0.1 . 1 . . . . . . . . 6268 1 415 . 1 1 47 47 THR HG22 H 1 1.254 0.1 . 1 . . . . . . . . 6268 1 416 . 1 1 47 47 THR HG23 H 1 1.254 0.1 . 1 . . . . . . . . 6268 1 417 . 1 1 48 48 MET N N 15 120.370 0.2 . 1 . . . . . . . . 6268 1 418 . 1 1 48 48 MET H H 1 8.125 0.1 . 1 . . . . . . . . 6268 1 419 . 1 1 48 48 MET CA C 13 56.530 0.2 . 1 . . . . . . . . 6268 1 420 . 1 1 48 48 MET HA H 1 4.570 0.1 . 1 . . . . . . . . 6268 1 421 . 1 1 48 48 MET CB C 13 31.100 0.2 . 1 . . . . . . . . 6268 1 422 . 1 1 48 48 MET HB2 H 1 2.234 0.1 . 2 . . . . . . . . 6268 1 423 . 1 1 48 48 MET HB3 H 1 1.874 0.1 . 2 . . . . . . . . 6268 1 424 . 1 1 48 48 MET CG C 13 33.504 0.2 . 1 . . . . . . . . 6268 1 425 . 1 1 48 48 MET HG2 H 1 2.719 0.1 . 2 . . . . . . . . 6268 1 426 . 1 1 48 48 MET HG3 H 1 2.522 0.1 . 2 . . . . . . . . 6268 1 427 . 1 1 48 48 MET CE C 13 17.632 0.2 . 1 . . . . . . . . 6268 1 428 . 1 1 48 48 MET HE1 H 1 1.760 0.1 . 1 . . . . . . . . 6268 1 429 . 1 1 48 48 MET HE2 H 1 1.760 0.1 . 1 . . . . . . . . 6268 1 430 . 1 1 48 48 MET HE3 H 1 1.760 0.1 . 1 . . . . . . . . 6268 1 431 . 1 1 49 49 LYS N N 15 122.154 0.2 . 1 . . . . . . . . 6268 1 432 . 1 1 49 49 LYS H H 1 9.228 0.1 . 1 . . . . . . . . 6268 1 433 . 1 1 49 49 LYS CA C 13 61.117 0.2 . 1 . . . . . . . . 6268 1 434 . 1 1 49 49 LYS HA H 1 3.889 0.1 . 1 . . . . . . . . 6268 1 435 . 1 1 49 49 LYS CB C 13 32.471 0.2 . 1 . . . . . . . . 6268 1 436 . 1 1 49 49 LYS HB2 H 1 2.068 0.1 . 2 . . . . . . . . 6268 1 437 . 1 1 49 49 LYS HB3 H 1 1.840 0.1 . 2 . . . . . . . . 6268 1 438 . 1 1 49 49 LYS CG C 13 27.306 0.2 . 1 . . . . . . . . 6268 1 439 . 1 1 49 49 LYS HG2 H 1 2.022 0.1 . 2 . . . . . . . . 6268 1 440 . 1 1 49 49 LYS HG3 H 1 1.285 0.1 . 2 . . . . . . . . 6268 1 441 . 1 1 49 49 LYS CD C 13 30.063 0.2 . 1 . . . . . . . . 6268 1 442 . 1 1 49 49 LYS HD2 H 1 1.669 0.1 . 2 . . . . . . . . 6268 1 443 . 1 1 49 49 LYS CE C 13 42.086 0.2 . 1 . . . . . . . . 6268 1 444 . 1 1 49 49 LYS HE2 H 1 3.177 0.1 . 2 . . . . . . . . 6268 1 445 . 1 1 49 49 LYS HE3 H 1 2.887 0.1 . 2 . . . . . . . . 6268 1 446 . 1 1 50 50 ASN N N 15 117.619 0.2 . 1 . . . . . . . . 6268 1 447 . 1 1 50 50 ASN H H 1 7.925 0.1 . 1 . . . . . . . . 6268 1 448 . 1 1 50 50 ASN CA C 13 56.088 0.2 . 1 . . . . . . . . 6268 1 449 . 1 1 50 50 ASN HA H 1 4.586 0.1 . 1 . . . . . . . . 6268 1 450 . 1 1 50 50 ASN CB C 13 37.433 0.2 . 1 . . . . . . . . 6268 1 451 . 1 1 50 50 ASN HB2 H 1 3.165 0.1 . 2 . . . . . . . . 6268 1 452 . 1 1 50 50 ASN HB3 H 1 2.938 0.1 . 2 . . . . . . . . 6268 1 453 . 1 1 51 51 VAL N N 15 123.997 0.2 . 1 . . . . . . . . 6268 1 454 . 1 1 51 51 VAL H H 1 8.047 0.1 . 1 . . . . . . . . 6268 1 455 . 1 1 51 51 VAL CA C 13 67.111 0.2 . 1 . . . . . . . . 6268 1 456 . 1 1 51 51 VAL HA H 1 3.759 0.1 . 1 . . . . . . . . 6268 1 457 . 1 1 51 51 VAL CB C 13 31.605 0.2 . 1 . . . . . . . . 6268 1 458 . 1 1 51 51 VAL HB H 1 2.435 0.1 . 1 . . . . . . . . 6268 1 459 . 1 1 51 51 VAL CG2 C 13 23.434 0.2 . 2 . . . . . . . . 6268 1 460 . 1 1 51 51 VAL HG21 H 1 1.208 0.1 . 1 . . . . . . . . 6268 1 461 . 1 1 51 51 VAL HG22 H 1 1.208 0.1 . 1 . . . . . . . . 6268 1 462 . 1 1 51 51 VAL HG23 H 1 1.208 0.1 . 1 . . . . . . . . 6268 1 463 . 1 1 51 51 VAL CG1 C 13 21.118 0.2 . 2 . . . . . . . . 6268 1 464 . 1 1 51 51 VAL HG11 H 1 0.981 0.1 . 1 . . . . . . . . 6268 1 465 . 1 1 51 51 VAL HG12 H 1 0.981 0.1 . 1 . . . . . . . . 6268 1 466 . 1 1 51 51 VAL HG13 H 1 0.981 0.1 . 1 . . . . . . . . 6268 1 467 . 1 1 52 52 LEU N N 15 121.088 0.2 . 1 . . . . . . . . 6268 1 468 . 1 1 52 52 LEU H H 1 8.590 0.1 . 1 . . . . . . . . 6268 1 469 . 1 1 52 52 LEU CA C 13 58.684 0.2 . 1 . . . . . . . . 6268 1 470 . 1 1 52 52 LEU HA H 1 4.093 0.1 . 1 . . . . . . . . 6268 1 471 . 1 1 52 52 LEU CB C 13 41.299 0.2 . 1 . . . . . . . . 6268 1 472 . 1 1 52 52 LEU HB2 H 1 1.969 0.1 . 2 . . . . . . . . 6268 1 473 . 1 1 52 52 LEU HB3 H 1 1.534 0.1 . 2 . . . . . . . . 6268 1 474 . 1 1 52 52 LEU CG C 13 26.955 0.2 . 1 . . . . . . . . 6268 1 475 . 1 1 52 52 LEU HG H 1 1.817 0.1 . 1 . . . . . . . . 6268 1 476 . 1 1 52 52 LEU CD1 C 13 25.517 0.2 . 2 . . . . . . . . 6268 1 477 . 1 1 52 52 LEU HD11 H 1 0.823 0.1 . 1 . . . . . . . . 6268 1 478 . 1 1 52 52 LEU HD12 H 1 0.823 0.1 . 1 . . . . . . . . 6268 1 479 . 1 1 52 52 LEU HD13 H 1 0.823 0.1 . 1 . . . . . . . . 6268 1 480 . 1 1 52 52 LEU CD2 C 13 23.080 0.2 . 2 . . . . . . . . 6268 1 481 . 1 1 52 52 LEU HD21 H 1 0.852 0.1 . 1 . . . . . . . . 6268 1 482 . 1 1 52 52 LEU HD22 H 1 0.852 0.1 . 1 . . . . . . . . 6268 1 483 . 1 1 52 52 LEU HD23 H 1 0.852 0.1 . 1 . . . . . . . . 6268 1 484 . 1 1 53 53 ASN N N 15 117.262 0.2 . 1 . . . . . . . . 6268 1 485 . 1 1 53 53 ASN H H 1 8.200 0.1 . 1 . . . . . . . . 6268 1 486 . 1 1 53 53 ASN CA C 13 56.085 0.2 . 1 . . . . . . . . 6268 1 487 . 1 1 53 53 ASN HA H 1 4.519 0.1 . 1 . . . . . . . . 6268 1 488 . 1 1 53 53 ASN CB C 13 38.291 0.2 . 1 . . . . . . . . 6268 1 489 . 1 1 53 53 ASN HB2 H 1 2.942 0.1 . 2 . . . . . . . . 6268 1 490 . 1 1 54 54 HIS N N 15 120.410 0.2 . 1 . . . . . . . . 6268 1 491 . 1 1 54 54 HIS H H 1 8.037 0.1 . 1 . . . . . . . . 6268 1 492 . 1 1 54 54 HIS CA C 13 59.406 0.2 . 1 . . . . . . . . 6268 1 493 . 1 1 54 54 HIS HA H 1 4.321 0.1 . 1 . . . . . . . . 6268 1 494 . 1 1 54 54 HIS CB C 13 27.317 0.2 . 1 . . . . . . . . 6268 1 495 . 1 1 54 54 HIS HB2 H 1 3.628 0.1 . 2 . . . . . . . . 6268 1 496 . 1 1 54 54 HIS HB3 H 1 3.376 0.1 . 2 . . . . . . . . 6268 1 497 . 1 1 55 55 MET N N 15 119.354 0.2 . 1 . . . . . . . . 6268 1 498 . 1 1 55 55 MET H H 1 9.010 0.1 . 1 . . . . . . . . 6268 1 499 . 1 1 55 55 MET CA C 13 59.385 0.2 . 1 . . . . . . . . 6268 1 500 . 1 1 55 55 MET HA H 1 3.711 0.1 . 1 . . . . . . . . 6268 1 501 . 1 1 55 55 MET CB C 13 33.890 0.2 . 1 . . . . . . . . 6268 1 502 . 1 1 55 55 MET HB2 H 1 2.155 0.1 . 2 . . . . . . . . 6268 1 503 . 1 1 55 55 MET HB3 H 1 2.390 0.1 . 2 . . . . . . . . 6268 1 504 . 1 1 55 55 MET CG C 13 31.867 0.2 . 1 . . . . . . . . 6268 1 505 . 1 1 55 55 MET HG2 H 1 2.933 0.1 . 2 . . . . . . . . 6268 1 506 . 1 1 55 55 MET HG3 H 1 2.848 0.1 . 2 . . . . . . . . 6268 1 507 . 1 1 55 55 MET CE C 13 16.820 0.2 . 1 . . . . . . . . 6268 1 508 . 1 1 55 55 MET HE1 H 1 1.997 0.1 . 1 . . . . . . . . 6268 1 509 . 1 1 55 55 MET HE2 H 1 1.997 0.1 . 1 . . . . . . . . 6268 1 510 . 1 1 55 55 MET HE3 H 1 1.997 0.1 . 1 . . . . . . . . 6268 1 511 . 1 1 56 56 THR N N 15 110.505 0.2 . 1 . . . . . . . . 6268 1 512 . 1 1 56 56 THR H H 1 7.523 0.1 . 1 . . . . . . . . 6268 1 513 . 1 1 56 56 THR CA C 13 65.201 0.2 . 1 . . . . . . . . 6268 1 514 . 1 1 56 56 THR HA H 1 3.867 0.1 . 1 . . . . . . . . 6268 1 515 . 1 1 56 56 THR CB C 13 69.214 0.2 . 1 . . . . . . . . 6268 1 516 . 1 1 56 56 THR HB H 1 3.985 0.1 . 1 . . . . . . . . 6268 1 517 . 1 1 56 56 THR CG2 C 13 21.440 0.2 . 1 . . . . . . . . 6268 1 518 . 1 1 56 56 THR HG21 H 1 1.064 0.1 . 1 . . . . . . . . 6268 1 519 . 1 1 56 56 THR HG22 H 1 1.064 0.1 . 1 . . . . . . . . 6268 1 520 . 1 1 56 56 THR HG23 H 1 1.064 0.1 . 1 . . . . . . . . 6268 1 521 . 1 1 57 57 HIS N N 15 115.546 0.2 . 1 . . . . . . . . 6268 1 522 . 1 1 57 57 HIS H H 1 7.054 0.1 . 1 . . . . . . . . 6268 1 523 . 1 1 57 57 HIS CA C 13 54.745 0.2 . 1 . . . . . . . . 6268 1 524 . 1 1 57 57 HIS HA H 1 4.811 0.1 . 1 . . . . . . . . 6268 1 525 . 1 1 57 57 HIS CB C 13 29.910 0.2 . 1 . . . . . . . . 6268 1 526 . 1 1 57 57 HIS HB2 H 1 3.357 0.1 . 2 . . . . . . . . 6268 1 527 . 1 1 57 57 HIS HB3 H 1 3.003 0.1 . 2 . . . . . . . . 6268 1 528 . 1 1 58 58 CYS N N 15 123.908 0.2 . 1 . . . . . . . . 6268 1 529 . 1 1 58 58 CYS H H 1 7.066 0.1 . 1 . . . . . . . . 6268 1 530 . 1 1 58 58 CYS CA C 13 60.698 0.2 . 1 . . . . . . . . 6268 1 531 . 1 1 58 58 CYS HA H 1 3.987 0.1 . 1 . . . . . . . . 6268 1 532 . 1 1 58 58 CYS CB C 13 29.665 0.2 . 1 . . . . . . . . 6268 1 533 . 1 1 58 58 CYS HB2 H 1 2.477 0.1 . 2 . . . . . . . . 6268 1 534 . 1 1 58 58 CYS HB3 H 1 1.942 0.1 . 2 . . . . . . . . 6268 1 535 . 1 1 59 59 GLN N N 15 128.850 0.2 . 1 . . . . . . . . 6268 1 536 . 1 1 59 59 GLN H H 1 9.089 0.1 . 1 . . . . . . . . 6268 1 537 . 1 1 59 59 GLN CA C 13 54.956 0.2 . 1 . . . . . . . . 6268 1 538 . 1 1 59 59 GLN HA H 1 4.651 0.1 . 1 . . . . . . . . 6268 1 539 . 1 1 59 59 GLN CB C 13 29.489 0.2 . 1 . . . . . . . . 6268 1 540 . 1 1 59 59 GLN HB2 H 1 2.413 0.1 . 2 . . . . . . . . 6268 1 541 . 1 1 59 59 GLN HB3 H 1 1.835 0.1 . 2 . . . . . . . . 6268 1 542 . 1 1 59 59 GLN CG C 13 33.645 0.2 . 1 . . . . . . . . 6268 1 543 . 1 1 59 59 GLN HG2 H 1 2.399 0.1 . 2 . . . . . . . . 6268 1 544 . 1 1 59 59 GLN HG3 H 1 2.347 0.1 . 2 . . . . . . . . 6268 1 545 . 1 1 60 60 ALA N N 15 125.076 0.2 . 1 . . . . . . . . 6268 1 546 . 1 1 60 60 ALA H H 1 8.627 0.1 . 1 . . . . . . . . 6268 1 547 . 1 1 60 60 ALA CA C 13 53.111 0.2 . 1 . . . . . . . . 6268 1 548 . 1 1 60 60 ALA HA H 1 4.345 0.1 . 1 . . . . . . . . 6268 1 549 . 1 1 60 60 ALA CB C 13 19.733 0.2 . 1 . . . . . . . . 6268 1 550 . 1 1 60 60 ALA HB1 H 1 1.403 0.1 . 1 . . . . . . . . 6268 1 551 . 1 1 60 60 ALA HB2 H 1 1.403 0.1 . 1 . . . . . . . . 6268 1 552 . 1 1 60 60 ALA HB3 H 1 1.403 0.1 . 1 . . . . . . . . 6268 1 553 . 1 1 61 61 GLY N N 15 108.318 0.2 . 1 . . . . . . . . 6268 1 554 . 1 1 61 61 GLY H H 1 8.129 0.1 . 1 . . . . . . . . 6268 1 555 . 1 1 61 61 GLY CA C 13 46.064 0.2 . 1 . . . . . . . . 6268 1 556 . 1 1 61 61 GLY HA3 H 1 3.573 0.1 . 2 . . . . . . . . 6268 1 557 . 1 1 61 61 GLY HA2 H 1 3.911 0.1 . 2 . . . . . . . . 6268 1 558 . 1 1 62 62 LYS N N 15 125.701 0.2 . 1 . . . . . . . . 6268 1 559 . 1 1 62 62 LYS H H 1 8.927 0.1 . 1 . . . . . . . . 6268 1 560 . 1 1 62 62 LYS CA C 13 58.217 0.2 . 1 . . . . . . . . 6268 1 561 . 1 1 62 62 LYS HA H 1 4.070 0.1 . 1 . . . . . . . . 6268 1 562 . 1 1 62 62 LYS CB C 13 32.090 0.2 . 1 . . . . . . . . 6268 1 563 . 1 1 62 62 LYS HB2 H 1 1.871 0.1 . 2 . . . . . . . . 6268 1 564 . 1 1 62 62 LYS HB3 H 1 1.845 0.1 . 2 . . . . . . . . 6268 1 565 . 1 1 62 62 LYS CG C 13 24.768 0.2 . 1 . . . . . . . . 6268 1 566 . 1 1 62 62 LYS HG2 H 1 1.472 0.1 . 2 . . . . . . . . 6268 1 567 . 1 1 62 62 LYS CD C 13 29.360 0.2 . 1 . . . . . . . . 6268 1 568 . 1 1 62 62 LYS HD2 H 1 1.627 0.1 . 2 . . . . . . . . 6268 1 569 . 1 1 62 62 LYS CE C 13 41.998 0.2 . 1 . . . . . . . . 6268 1 570 . 1 1 62 62 LYS HE2 H 1 2.929 0.1 . 2 . . . . . . . . 6268 1 571 . 1 1 63 63 ALA N N 15 119.549 0.2 . 1 . . . . . . . . 6268 1 572 . 1 1 63 63 ALA H H 1 7.615 0.1 . 1 . . . . . . . . 6268 1 573 . 1 1 63 63 ALA CA C 13 51.458 0.2 . 1 . . . . . . . . 6268 1 574 . 1 1 63 63 ALA HA H 1 4.368 0.1 . 1 . . . . . . . . 6268 1 575 . 1 1 63 63 ALA CB C 13 18.899 0.2 . 1 . . . . . . . . 6268 1 576 . 1 1 63 63 ALA HB1 H 1 1.438 0.1 . 1 . . . . . . . . 6268 1 577 . 1 1 63 63 ALA HB2 H 1 1.438 0.1 . 1 . . . . . . . . 6268 1 578 . 1 1 63 63 ALA HB3 H 1 1.438 0.1 . 1 . . . . . . . . 6268 1 579 . 1 1 64 64 CYS N N 15 122.138 0.2 . 1 . . . . . . . . 6268 1 580 . 1 1 64 64 CYS H H 1 7.440 0.1 . 1 . . . . . . . . 6268 1 581 . 1 1 64 64 CYS CA C 13 62.222 0.2 . 1 . . . . . . . . 6268 1 582 . 1 1 64 64 CYS HA H 1 3.802 0.1 . 1 . . . . . . . . 6268 1 583 . 1 1 64 64 CYS CB C 13 29.619 0.2 . 1 . . . . . . . . 6268 1 584 . 1 1 64 64 CYS HB2 H 1 2.801 0.1 . 2 . . . . . . . . 6268 1 585 . 1 1 65 65 GLN N N 15 128.879 0.2 . 1 . . . . . . . . 6268 1 586 . 1 1 65 65 GLN H H 1 8.975 0.1 . 1 . . . . . . . . 6268 1 587 . 1 1 65 65 GLN CA C 13 55.535 0.2 . 1 . . . . . . . . 6268 1 588 . 1 1 65 65 GLN HA H 1 4.374 0.1 . 1 . . . . . . . . 6268 1 589 . 1 1 65 65 GLN CB C 13 29.259 0.2 . 1 . . . . . . . . 6268 1 590 . 1 1 65 65 GLN HB2 H 1 2.366 0.1 . 2 . . . . . . . . 6268 1 591 . 1 1 65 65 GLN HB3 H 1 1.865 0.1 . 2 . . . . . . . . 6268 1 592 . 1 1 65 65 GLN CG C 13 33.943 0.2 . 1 . . . . . . . . 6268 1 593 . 1 1 65 65 GLN HG2 H 1 2.424 0.1 . 2 . . . . . . . . 6268 1 594 . 1 1 65 65 GLN HG3 H 1 2.357 0.1 . 2 . . . . . . . . 6268 1 595 . 1 1 66 66 VAL N N 15 127.935 0.2 . 1 . . . . . . . . 6268 1 596 . 1 1 66 66 VAL H H 1 9.252 0.1 . 1 . . . . . . . . 6268 1 597 . 1 1 66 66 VAL CA C 13 64.219 0.2 . 1 . . . . . . . . 6268 1 598 . 1 1 66 66 VAL HA H 1 3.584 0.1 . 1 . . . . . . . . 6268 1 599 . 1 1 66 66 VAL CB C 13 30.809 0.2 . 1 . . . . . . . . 6268 1 600 . 1 1 66 66 VAL HB H 1 1.877 0.1 . 1 . . . . . . . . 6268 1 601 . 1 1 66 66 VAL CG2 C 13 22.469 0.2 . 2 . . . . . . . . 6268 1 602 . 1 1 66 66 VAL HG21 H 1 0.521 0.1 . 1 . . . . . . . . 6268 1 603 . 1 1 66 66 VAL HG22 H 1 0.521 0.1 . 1 . . . . . . . . 6268 1 604 . 1 1 66 66 VAL HG23 H 1 0.521 0.1 . 1 . . . . . . . . 6268 1 605 . 1 1 66 66 VAL CG1 C 13 20.236 0.2 . 2 . . . . . . . . 6268 1 606 . 1 1 66 66 VAL HG11 H 1 0.439 0.1 . 1 . . . . . . . . 6268 1 607 . 1 1 66 66 VAL HG12 H 1 0.439 0.1 . 1 . . . . . . . . 6268 1 608 . 1 1 66 66 VAL HG13 H 1 0.439 0.1 . 1 . . . . . . . . 6268 1 609 . 1 1 67 67 ALA N N 15 134.232 0.2 . 1 . . . . . . . . 6268 1 610 . 1 1 67 67 ALA H H 1 8.587 0.1 . 1 . . . . . . . . 6268 1 611 . 1 1 67 67 ALA CA C 13 54.074 0.2 . 1 . . . . . . . . 6268 1 612 . 1 1 67 67 ALA HA H 1 3.768 0.1 . 1 . . . . . . . . 6268 1 613 . 1 1 67 67 ALA CB C 13 17.370 0.2 . 1 . . . . . . . . 6268 1 614 . 1 1 67 67 ALA HB1 H 1 0.964 0.1 . 1 . . . . . . . . 6268 1 615 . 1 1 67 67 ALA HB2 H 1 0.964 0.1 . 1 . . . . . . . . 6268 1 616 . 1 1 67 67 ALA HB3 H 1 0.964 0.1 . 1 . . . . . . . . 6268 1 617 . 1 1 68 68 HIS N N 15 110.693 0.2 . 1 . . . . . . . . 6268 1 618 . 1 1 68 68 HIS H H 1 8.177 0.1 . 1 . . . . . . . . 6268 1 619 . 1 1 68 68 HIS CA C 13 57.602 0.2 . 1 . . . . . . . . 6268 1 620 . 1 1 68 68 HIS HA H 1 4.297 0.1 . 1 . . . . . . . . 6268 1 621 . 1 1 68 68 HIS CB C 13 28.917 0.2 . 1 . . . . . . . . 6268 1 622 . 1 1 68 68 HIS HB2 H 1 3.644 0.1 . 2 . . . . . . . . 6268 1 623 . 1 1 68 68 HIS HB3 H 1 2.922 0.1 . 2 . . . . . . . . 6268 1 624 . 1 1 69 69 CYS N N 15 126.516 0.2 . 1 . . . . . . . . 6268 1 625 . 1 1 69 69 CYS H H 1 7.977 0.1 . 1 . . . . . . . . 6268 1 626 . 1 1 69 69 CYS CA C 13 64.301 0.2 . 1 . . . . . . . . 6268 1 627 . 1 1 69 69 CYS HA H 1 4.038 0.1 . 1 . . . . . . . . 6268 1 628 . 1 1 69 69 CYS CB C 13 29.935 0.2 . 1 . . . . . . . . 6268 1 629 . 1 1 69 69 CYS HB2 H 1 3.259 0.1 . 2 . . . . . . . . 6268 1 630 . 1 1 69 69 CYS HB3 H 1 2.539 0.1 . 2 . . . . . . . . 6268 1 631 . 1 1 70 70 ALA N N 15 118.941 0.2 . 1 . . . . . . . . 6268 1 632 . 1 1 70 70 ALA H H 1 8.657 0.1 . 1 . . . . . . . . 6268 1 633 . 1 1 70 70 ALA CA C 13 55.481 0.2 . 1 . . . . . . . . 6268 1 634 . 1 1 70 70 ALA HA H 1 4.214 0.1 . 1 . . . . . . . . 6268 1 635 . 1 1 70 70 ALA CB C 13 17.708 0.2 . 1 . . . . . . . . 6268 1 636 . 1 1 70 70 ALA HB1 H 1 1.435 0.1 . 1 . . . . . . . . 6268 1 637 . 1 1 70 70 ALA HB2 H 1 1.435 0.1 . 1 . . . . . . . . 6268 1 638 . 1 1 70 70 ALA HB3 H 1 1.435 0.1 . 1 . . . . . . . . 6268 1 639 . 1 1 71 71 SER N N 15 114.121 0.2 . 1 . . . . . . . . 6268 1 640 . 1 1 71 71 SER H H 1 8.871 0.1 . 1 . . . . . . . . 6268 1 641 . 1 1 71 71 SER CA C 13 60.542 0.2 . 1 . . . . . . . . 6268 1 642 . 1 1 71 71 SER HA H 1 4.193 0.1 . 1 . . . . . . . . 6268 1 643 . 1 1 71 71 SER CB C 13 61.885 0.2 . 1 . . . . . . . . 6268 1 644 . 1 1 71 71 SER HB2 H 1 3.921 0.1 . 2 . . . . . . . . 6268 1 645 . 1 1 71 71 SER HB3 H 1 3.869 0.1 . 2 . . . . . . . . 6268 1 646 . 1 1 72 72 SER N N 15 120.039 0.2 . 1 . . . . . . . . 6268 1 647 . 1 1 72 72 SER H H 1 7.766 0.1 . 1 . . . . . . . . 6268 1 648 . 1 1 72 72 SER CA C 13 62.612 0.2 . 1 . . . . . . . . 6268 1 649 . 1 1 72 72 SER HA H 1 3.636 0.1 . 1 . . . . . . . . 6268 1 650 . 1 1 72 72 SER CB C 13 62.451 0.2 . 1 . . . . . . . . 6268 1 651 . 1 1 72 72 SER HB2 H 1 4.269 0.1 . 2 . . . . . . . . 6268 1 652 . 1 1 72 72 SER HB3 H 1 4.191 0.1 . 2 . . . . . . . . 6268 1 653 . 1 1 73 73 ARG N N 15 122.834 0.2 . 1 . . . . . . . . 6268 1 654 . 1 1 73 73 ARG H H 1 8.767 0.1 . 1 . . . . . . . . 6268 1 655 . 1 1 73 73 ARG CA C 13 60.157 0.2 . 1 . . . . . . . . 6268 1 656 . 1 1 73 73 ARG HA H 1 3.845 0.1 . 1 . . . . . . . . 6268 1 657 . 1 1 73 73 ARG CB C 13 30.257 0.2 . 1 . . . . . . . . 6268 1 658 . 1 1 73 73 ARG HB2 H 1 2.086 0.1 . 2 . . . . . . . . 6268 1 659 . 1 1 73 73 ARG HB3 H 1 1.890 0.1 . 2 . . . . . . . . 6268 1 660 . 1 1 73 73 ARG CG C 13 27.494 0.2 . 1 . . . . . . . . 6268 1 661 . 1 1 73 73 ARG HG2 H 1 1.822 0.1 . 2 . . . . . . . . 6268 1 662 . 1 1 73 73 ARG HG3 H 1 1.547 0.1 . 2 . . . . . . . . 6268 1 663 . 1 1 73 73 ARG CD C 13 43.293 0.2 . 1 . . . . . . . . 6268 1 664 . 1 1 73 73 ARG HD2 H 1 3.306 0.1 . 2 . . . . . . . . 6268 1 665 . 1 1 73 73 ARG HD3 H 1 3.148 0.1 . 2 . . . . . . . . 6268 1 666 . 1 1 74 74 GLN N N 15 118.519 0.2 . 1 . . . . . . . . 6268 1 667 . 1 1 74 74 GLN H H 1 7.763 0.1 . 1 . . . . . . . . 6268 1 668 . 1 1 74 74 GLN CA C 13 58.913 0.2 . 1 . . . . . . . . 6268 1 669 . 1 1 74 74 GLN HA H 1 4.105 0.1 . 1 . . . . . . . . 6268 1 670 . 1 1 74 74 GLN CB C 13 28.571 0.2 . 1 . . . . . . . . 6268 1 671 . 1 1 74 74 GLN HB2 H 1 2.197 0.1 . 2 . . . . . . . . 6268 1 672 . 1 1 74 74 GLN CG C 13 33.887 0.2 . 1 . . . . . . . . 6268 1 673 . 1 1 74 74 GLN HG2 H 1 2.503 0.1 . 2 . . . . . . . . 6268 1 674 . 1 1 74 74 GLN HG3 H 1 2.391 0.1 . 2 . . . . . . . . 6268 1 675 . 1 1 75 75 ILE N N 15 121.537 0.2 . 1 . . . . . . . . 6268 1 676 . 1 1 75 75 ILE H H 1 8.040 0.1 . 1 . . . . . . . . 6268 1 677 . 1 1 75 75 ILE CA C 13 64.150 0.2 . 1 . . . . . . . . 6268 1 678 . 1 1 75 75 ILE HA H 1 3.795 0.1 . 1 . . . . . . . . 6268 1 679 . 1 1 75 75 ILE CB C 13 38.131 0.2 . 1 . . . . . . . . 6268 1 680 . 1 1 75 75 ILE HB H 1 1.730 0.1 . 1 . . . . . . . . 6268 1 681 . 1 1 75 75 ILE CG1 C 13 29.491 0.2 . 2 . . . . . . . . 6268 1 682 . 1 1 75 75 ILE HG12 H 1 1.679 0.1 . 9 . . . . . . . . 6268 1 683 . 1 1 75 75 ILE HG13 H 1 1.034 0.1 . 9 . . . . . . . . 6268 1 684 . 1 1 75 75 ILE CD1 C 13 13.738 0.2 . 1 . . . . . . . . 6268 1 685 . 1 1 75 75 ILE HD11 H 1 0.780 0.1 . 1 . . . . . . . . 6268 1 686 . 1 1 75 75 ILE HD12 H 1 0.780 0.1 . 1 . . . . . . . . 6268 1 687 . 1 1 75 75 ILE HD13 H 1 0.780 0.1 . 1 . . . . . . . . 6268 1 688 . 1 1 75 75 ILE CG2 C 13 17.481 0.2 . 2 . . . . . . . . 6268 1 689 . 1 1 75 75 ILE HG21 H 1 0.859 0.1 . 1 . . . . . . . . 6268 1 690 . 1 1 75 75 ILE HG22 H 1 0.859 0.1 . 1 . . . . . . . . 6268 1 691 . 1 1 75 75 ILE HG23 H 1 0.859 0.1 . 1 . . . . . . . . 6268 1 692 . 1 1 76 76 ILE N N 15 120.911 0.2 . 1 . . . . . . . . 6268 1 693 . 1 1 76 76 ILE H H 1 8.591 0.1 . 1 . . . . . . . . 6268 1 694 . 1 1 76 76 ILE CA C 13 64.156 0.2 . 1 . . . . . . . . 6268 1 695 . 1 1 76 76 ILE HA H 1 3.785 0.1 . 1 . . . . . . . . 6268 1 696 . 1 1 76 76 ILE CB C 13 37.184 0.2 . 1 . . . . . . . . 6268 1 697 . 1 1 76 76 ILE HB H 1 1.877 0.1 . 1 . . . . . . . . 6268 1 698 . 1 1 76 76 ILE CG1 C 13 29.264 0.2 . 2 . . . . . . . . 6268 1 699 . 1 1 76 76 ILE HG12 H 1 1.543 0.1 . 9 . . . . . . . . 6268 1 700 . 1 1 76 76 ILE HG13 H 1 1.204 0.1 . 9 . . . . . . . . 6268 1 701 . 1 1 76 76 ILE CD1 C 13 12.432 0.2 . 1 . . . . . . . . 6268 1 702 . 1 1 76 76 ILE HD11 H 1 0.705 0.1 . 1 . . . . . . . . 6268 1 703 . 1 1 76 76 ILE HD12 H 1 0.705 0.1 . 1 . . . . . . . . 6268 1 704 . 1 1 76 76 ILE HD13 H 1 0.705 0.1 . 1 . . . . . . . . 6268 1 705 . 1 1 76 76 ILE CG2 C 13 17.627 0.2 . 2 . . . . . . . . 6268 1 706 . 1 1 76 76 ILE HG21 H 1 0.935 0.1 . 1 . . . . . . . . 6268 1 707 . 1 1 76 76 ILE HG22 H 1 0.935 0.1 . 1 . . . . . . . . 6268 1 708 . 1 1 76 76 ILE HG23 H 1 0.935 0.1 . 1 . . . . . . . . 6268 1 709 . 1 1 77 77 SER N N 15 114.094 0.2 . 1 . . . . . . . . 6268 1 710 . 1 1 77 77 SER H H 1 8.014 0.1 . 1 . . . . . . . . 6268 1 711 . 1 1 77 77 SER CA C 13 61.822 0.2 . 1 . . . . . . . . 6268 1 712 . 1 1 77 77 SER HA H 1 4.127 0.1 . 1 . . . . . . . . 6268 1 713 . 1 1 77 77 SER CB C 13 62.617 0.2 . 1 . . . . . . . . 6268 1 714 . 1 1 77 77 SER HB2 H 1 3.986 0.1 . 2 . . . . . . . . 6268 1 715 . 1 1 77 77 SER HB3 H 1 3.950 0.1 . 2 . . . . . . . . 6268 1 716 . 1 1 78 78 HIS N N 15 119.288 0.2 . 1 . . . . . . . . 6268 1 717 . 1 1 78 78 HIS H H 1 7.919 0.1 . 1 . . . . . . . . 6268 1 718 . 1 1 78 78 HIS CA C 13 60.339 0.2 . 1 . . . . . . . . 6268 1 719 . 1 1 78 78 HIS HA H 1 4.130 0.1 . 1 . . . . . . . . 6268 1 720 . 1 1 78 78 HIS CB C 13 27.177 0.2 . 1 . . . . . . . . 6268 1 721 . 1 1 78 78 HIS HB2 H 1 3.509 0.1 . 2 . . . . . . . . 6268 1 722 . 1 1 78 78 HIS HB3 H 1 3.227 0.1 . 2 . . . . . . . . 6268 1 723 . 1 1 78 78 HIS HD2 H 1 6.663 0.1 . 2 . . . . . . . . 6268 1 724 . 1 1 79 79 TRP N N 15 119.718 0.2 . 1 . . . . . . . . 6268 1 725 . 1 1 79 79 TRP H H 1 8.494 0.1 . 1 . . . . . . . . 6268 1 726 . 1 1 79 79 TRP CA C 13 44.685 0.2 . 1 . . . . . . . . 6268 1 727 . 1 1 79 79 TRP HA H 1 4.409 0.1 . 1 . . . . . . . . 6268 1 728 . 1 1 79 79 TRP CB C 13 29.656 0.2 . 1 . . . . . . . . 6268 1 729 . 1 1 79 79 TRP HB2 H 1 3.438 0.1 . 2 . . . . . . . . 6268 1 730 . 1 1 79 79 TRP HB3 H 1 3.361 0.1 . 2 . . . . . . . . 6268 1 731 . 1 1 79 79 TRP HD1 H 1 7.169 0.1 . 1 . . . . . . . . 6268 1 732 . 1 1 79 79 TRP NE1 N 15 128.901 0.2 . 1 . . . . . . . . 6268 1 733 . 1 1 79 79 TRP HE1 H 1 10.024 0.1 . 2 . . . . . . . . 6268 1 734 . 1 1 79 79 TRP HZ2 H 1 7.343 0.1 . 2 . . . . . . . . 6268 1 735 . 1 1 79 79 TRP HH2 H 1 6.955 0.1 . 1 . . . . . . . . 6268 1 736 . 1 1 80 80 LYS N N 15 115.270 0.2 . 1 . . . . . . . . 6268 1 737 . 1 1 80 80 LYS H H 1 8.407 0.1 . 1 . . . . . . . . 6268 1 738 . 1 1 80 80 LYS CA C 13 58.599 0.2 . 1 . . . . . . . . 6268 1 739 . 1 1 80 80 LYS HA H 1 3.698 0.1 . 1 . . . . . . . . 6268 1 740 . 1 1 80 80 LYS CB C 13 32.667 0.2 . 1 . . . . . . . . 6268 1 741 . 1 1 80 80 LYS HB2 H 1 1.828 0.1 . 2 . . . . . . . . 6268 1 742 . 1 1 80 80 LYS HB3 H 1 1.772 0.1 . 2 . . . . . . . . 6268 1 743 . 1 1 80 80 LYS CG C 13 25.433 0.2 . 1 . . . . . . . . 6268 1 744 . 1 1 80 80 LYS HG2 H 1 1.636 0.1 . 2 . . . . . . . . 6268 1 745 . 1 1 80 80 LYS HG3 H 1 1.427 0.1 . 2 . . . . . . . . 6268 1 746 . 1 1 80 80 LYS CD C 13 29.203 0.2 . 1 . . . . . . . . 6268 1 747 . 1 1 80 80 LYS HD2 H 1 1.625 0.1 . 2 . . . . . . . . 6268 1 748 . 1 1 80 80 LYS CE C 13 41.608 0.2 . 1 . . . . . . . . 6268 1 749 . 1 1 80 80 LYS HE2 H 1 2.909 0.1 . 2 . . . . . . . . 6268 1 750 . 1 1 81 81 ASN N N 15 113.938 0.2 . 1 . . . . . . . . 6268 1 751 . 1 1 81 81 ASN H H 1 7.231 0.1 . 1 . . . . . . . . 6268 1 752 . 1 1 81 81 ASN CA C 13 53.191 0.2 . 1 . . . . . . . . 6268 1 753 . 1 1 81 81 ASN HA H 1 4.732 0.1 . 1 . . . . . . . . 6268 1 754 . 1 1 81 81 ASN CB C 13 40.805 0.2 . 1 . . . . . . . . 6268 1 755 . 1 1 81 81 ASN HB2 H 1 2.580 0.1 . 2 . . . . . . . . 6268 1 756 . 1 1 81 81 ASN HB3 H 1 2.730 0.1 . 2 . . . . . . . . 6268 1 757 . 1 1 82 82 CYS N N 15 124.551 0.2 . 1 . . . . . . . . 6268 1 758 . 1 1 82 82 CYS H H 1 7.479 0.1 . 1 . . . . . . . . 6268 1 759 . 1 1 82 82 CYS CA C 13 61.244 0.2 . 1 . . . . . . . . 6268 1 760 . 1 1 82 82 CYS HA H 1 3.975 0.1 . 1 . . . . . . . . 6268 1 761 . 1 1 82 82 CYS CB C 13 28.630 0.2 . 1 . . . . . . . . 6268 1 762 . 1 1 82 82 CYS HB2 H 1 2.709 0.1 . 2 . . . . . . . . 6268 1 763 . 1 1 83 83 THR N N 15 118.665 0.2 . 1 . . . . . . . . 6268 1 764 . 1 1 83 83 THR H H 1 8.478 0.1 . 1 . . . . . . . . 6268 1 765 . 1 1 83 83 THR CA C 13 60.744 0.2 . 1 . . . . . . . . 6268 1 766 . 1 1 83 83 THR HA H 1 4.473 0.1 . 1 . . . . . . . . 6268 1 767 . 1 1 83 83 THR CB C 13 69.316 0.2 . 1 . . . . . . . . 6268 1 768 . 1 1 83 83 THR HB H 1 4.505 0.1 . 1 . . . . . . . . 6268 1 769 . 1 1 83 83 THR CG2 C 13 21.176 0.2 . 1 . . . . . . . . 6268 1 770 . 1 1 83 83 THR HG21 H 1 1.094 0.1 . 1 . . . . . . . . 6268 1 771 . 1 1 83 83 THR HG22 H 1 1.094 0.1 . 1 . . . . . . . . 6268 1 772 . 1 1 83 83 THR HG23 H 1 1.094 0.1 . 1 . . . . . . . . 6268 1 773 . 1 1 84 84 ARG N N 15 119.223 0.2 . 1 . . . . . . . . 6268 1 774 . 1 1 84 84 ARG H H 1 8.048 0.1 . 1 . . . . . . . . 6268 1 775 . 1 1 84 84 ARG CA C 13 57.410 0.2 . 1 . . . . . . . . 6268 1 776 . 1 1 84 84 ARG HA H 1 4.238 0.1 . 1 . . . . . . . . 6268 1 777 . 1 1 84 84 ARG CB C 13 31.282 0.2 . 1 . . . . . . . . 6268 1 778 . 1 1 84 84 ARG HB2 H 1 1.875 0.1 . 2 . . . . . . . . 6268 1 779 . 1 1 84 84 ARG HB3 H 1 1.826 0.1 . 2 . . . . . . . . 6268 1 780 . 1 1 84 84 ARG CD C 13 43.826 0.2 . 1 . . . . . . . . 6268 1 781 . 1 1 84 84 ARG HD2 H 1 3.321 0.1 . 2 . . . . . . . . 6268 1 782 . 1 1 84 84 ARG HD3 H 1 3.133 0.1 . 2 . . . . . . . . 6268 1 783 . 1 1 85 85 HIS N N 15 115.188 0.2 . 1 . . . . . . . . 6268 1 784 . 1 1 85 85 HIS H H 1 7.161 0.1 . 1 . . . . . . . . 6268 1 785 . 1 1 85 85 HIS CA C 13 57.810 0.2 . 1 . . . . . . . . 6268 1 786 . 1 1 85 85 HIS HA H 1 4.388 0.1 . 1 . . . . . . . . 6268 1 787 . 1 1 85 85 HIS CB C 13 29.383 0.2 . 1 . . . . . . . . 6268 1 788 . 1 1 85 85 HIS HB2 H 1 3.167 0.1 . 2 . . . . . . . . 6268 1 789 . 1 1 86 86 ASP N N 15 117.172 0.2 . 1 . . . . . . . . 6268 1 790 . 1 1 86 86 ASP H H 1 8.136 0.1 . 1 . . . . . . . . 6268 1 791 . 1 1 86 86 ASP CA C 13 52.174 0.2 . 1 . . . . . . . . 6268 1 792 . 1 1 86 86 ASP HA H 1 4.460 0.1 . 1 . . . . . . . . 6268 1 793 . 1 1 86 86 ASP CB C 13 39.353 0.2 . 1 . . . . . . . . 6268 1 794 . 1 1 86 86 ASP HB2 H 1 2.745 0.1 . 2 . . . . . . . . 6268 1 795 . 1 1 86 86 ASP HB3 H 1 2.298 0.1 . 2 . . . . . . . . 6268 1 796 . 1 1 87 87 CYS N N 15 122.501 0.2 . 1 . . . . . . . . 6268 1 797 . 1 1 87 87 CYS H H 1 7.039 0.1 . 1 . . . . . . . . 6268 1 798 . 1 1 87 87 CYS CA C 13 57.059 0.2 . 1 . . . . . . . . 6268 1 799 . 1 1 87 87 CYS HA H 1 4.320 0.1 . 1 . . . . . . . . 6268 1 800 . 1 1 87 87 CYS CB C 13 30.797 0.2 . 1 . . . . . . . . 6268 1 801 . 1 1 87 87 CYS HB2 H 1 2.984 0.1 . 2 . . . . . . . . 6268 1 802 . 1 1 87 87 CYS HB3 H 1 2.939 0.1 . 2 . . . . . . . . 6268 1 803 . 1 1 88 88 PRO CA C 13 64.396 0.2 . 1 . . . . . . . . 6268 1 804 . 1 1 88 88 PRO HA H 1 4.429 0.1 . 1 . . . . . . . . 6268 1 805 . 1 1 88 88 PRO CB C 13 32.374 0.2 . 1 . . . . . . . . 6268 1 806 . 1 1 88 88 PRO HB2 H 1 2.320 0.1 . 2 . . . . . . . . 6268 1 807 . 1 1 88 88 PRO HB3 H 1 1.903 0.1 . 2 . . . . . . . . 6268 1 808 . 1 1 88 88 PRO CG C 13 27.664 0.2 . 1 . . . . . . . . 6268 1 809 . 1 1 88 88 PRO HG2 H 1 1.996 0.1 . 2 . . . . . . . . 6268 1 810 . 1 1 88 88 PRO HG3 H 1 1.905 0.1 . 2 . . . . . . . . 6268 1 811 . 1 1 88 88 PRO CD C 13 51.097 0.2 . 1 . . . . . . . . 6268 1 812 . 1 1 88 88 PRO HD2 H 1 3.986 0.1 . 2 . . . . . . . . 6268 1 813 . 1 1 89 89 VAL N N 15 120.700 0.2 . 1 . . . . . . . . 6268 1 814 . 1 1 89 89 VAL H H 1 8.382 0.1 . 1 . . . . . . . . 6268 1 815 . 1 1 89 89 VAL CA C 13 65.489 0.2 . 1 . . . . . . . . 6268 1 816 . 1 1 89 89 VAL HA H 1 3.784 0.1 . 1 . . . . . . . . 6268 1 817 . 1 1 89 89 VAL CB C 13 32.904 0.2 . 1 . . . . . . . . 6268 1 818 . 1 1 89 89 VAL HB H 1 2.010 0.1 . 1 . . . . . . . . 6268 1 819 . 1 1 89 89 VAL CG2 C 13 21.701 0.2 . 2 . . . . . . . . 6268 1 820 . 1 1 89 89 VAL HG21 H 1 0.770 0.1 . 1 . . . . . . . . 6268 1 821 . 1 1 89 89 VAL HG22 H 1 0.770 0.1 . 1 . . . . . . . . 6268 1 822 . 1 1 89 89 VAL HG23 H 1 0.770 0.1 . 1 . . . . . . . . 6268 1 823 . 1 1 89 89 VAL CG1 C 13 22.050 0.2 . 2 . . . . . . . . 6268 1 824 . 1 1 89 89 VAL HG11 H 1 0.769 0.1 . 1 . . . . . . . . 6268 1 825 . 1 1 89 89 VAL HG12 H 1 0.769 0.1 . 1 . . . . . . . . 6268 1 826 . 1 1 89 89 VAL HG13 H 1 0.769 0.1 . 1 . . . . . . . . 6268 1 827 . 1 1 90 90 CYS N N 15 118.842 0.2 . 1 . . . . . . . . 6268 1 828 . 1 1 90 90 CYS H H 1 8.327 0.1 . 1 . . . . . . . . 6268 1 829 . 1 1 90 90 CYS CA C 13 62.899 0.2 . 1 . . . . . . . . 6268 1 830 . 1 1 90 90 CYS HA H 1 4.314 0.1 . 1 . . . . . . . . 6268 1 831 . 1 1 90 90 CYS CB C 13 31.017 0.2 . 1 . . . . . . . . 6268 1 832 . 1 1 90 90 CYS HB2 H 1 3.086 0.1 . 2 . . . . . . . . 6268 1 833 . 1 1 90 90 CYS HB3 H 1 2.895 0.1 . 2 . . . . . . . . 6268 1 834 . 1 1 91 91 LEU N N 15 119.983 0.2 . 1 . . . . . . . . 6268 1 835 . 1 1 91 91 LEU H H 1 7.879 0.1 . 1 . . . . . . . . 6268 1 836 . 1 1 91 91 LEU CA C 13 59.548 0.2 . 1 . . . . . . . . 6268 1 837 . 1 1 91 91 LEU HA H 1 4.202 0.1 . 1 . . . . . . . . 6268 1 838 . 1 1 91 91 LEU CB C 13 39.715 0.2 . 1 . . . . . . . . 6268 1 839 . 1 1 91 91 LEU HB2 H 1 1.782 0.1 . 2 . . . . . . . . 6268 1 840 . 1 1 91 91 LEU HB3 H 1 1.682 0.1 . 2 . . . . . . . . 6268 1 841 . 1 1 91 91 LEU CG C 13 27.255 0.2 . 1 . . . . . . . . 6268 1 842 . 1 1 91 91 LEU HG H 1 1.610 0.1 . 1 . . . . . . . . 6268 1 843 . 1 1 91 91 LEU CD1 C 13 24.818 0.2 . 2 . . . . . . . . 6268 1 844 . 1 1 91 91 LEU HD11 H 1 0.854 0.1 . 1 . . . . . . . . 6268 1 845 . 1 1 91 91 LEU HD12 H 1 0.854 0.1 . 1 . . . . . . . . 6268 1 846 . 1 1 91 91 LEU HD13 H 1 0.854 0.1 . 1 . . . . . . . . 6268 1 847 . 1 1 91 91 LEU CD2 C 13 24.209 0.2 . 2 . . . . . . . . 6268 1 848 . 1 1 91 91 LEU HD21 H 1 0.866 0.1 . 1 . . . . . . . . 6268 1 849 . 1 1 91 91 LEU HD22 H 1 0.866 0.1 . 1 . . . . . . . . 6268 1 850 . 1 1 91 91 LEU HD23 H 1 0.866 0.1 . 1 . . . . . . . . 6268 1 851 . 1 1 92 92 PRO CA C 13 65.239 0.2 . 1 . . . . . . . . 6268 1 852 . 1 1 92 92 PRO HA H 1 4.371 0.1 . 1 . . . . . . . . 6268 1 853 . 1 1 92 92 PRO CB C 13 31.332 0.2 . 1 . . . . . . . . 6268 1 854 . 1 1 92 92 PRO HB2 H 1 2.329 0.1 . 2 . . . . . . . . 6268 1 855 . 1 1 92 92 PRO HB3 H 1 1.649 0.1 . 2 . . . . . . . . 6268 1 856 . 1 1 92 92 PRO CG C 13 28.302 0.2 . 1 . . . . . . . . 6268 1 857 . 1 1 92 92 PRO HG2 H 1 1.937 0.1 . 2 . . . . . . . . 6268 1 858 . 1 1 92 92 PRO CD C 13 50.375 0.2 . 1 . . . . . . . . 6268 1 859 . 1 1 92 92 PRO HD2 H 1 3.597 0.1 . 2 . . . . . . . . 6268 1 860 . 1 1 92 92 PRO HD3 H 1 3.485 0.1 . 2 . . . . . . . . 6268 1 861 . 1 1 93 93 LEU N N 15 116.527 0.2 . 1 . . . . . . . . 6268 1 862 . 1 1 93 93 LEU H H 1 7.493 0.1 . 1 . . . . . . . . 6268 1 863 . 1 1 93 93 LEU CA C 13 55.740 0.2 . 1 . . . . . . . . 6268 1 864 . 1 1 93 93 LEU HA H 1 4.208 0.1 . 1 . . . . . . . . 6268 1 865 . 1 1 93 93 LEU CB C 13 41.955 0.2 . 1 . . . . . . . . 6268 1 866 . 1 1 93 93 LEU HB2 H 1 1.843 0.1 . 2 . . . . . . . . 6268 1 867 . 1 1 93 93 LEU HB3 H 1 1.557 0.1 . 2 . . . . . . . . 6268 1 868 . 1 1 93 93 LEU CG C 13 27.418 0.2 . 1 . . . . . . . . 6268 1 869 . 1 1 93 93 LEU HG H 1 1.540 0.1 . 1 . . . . . . . . 6268 1 870 . 1 1 93 93 LEU CD1 C 13 23.700 0.2 . 2 . . . . . . . . 6268 1 871 . 1 1 93 93 LEU HD11 H 1 0.612 0.1 . 1 . . . . . . . . 6268 1 872 . 1 1 93 93 LEU HD12 H 1 0.612 0.1 . 1 . . . . . . . . 6268 1 873 . 1 1 93 93 LEU HD13 H 1 0.612 0.1 . 1 . . . . . . . . 6268 1 874 . 1 1 93 93 LEU CD2 C 13 25.333 0.2 . 2 . . . . . . . . 6268 1 875 . 1 1 93 93 LEU HD21 H 1 0.761 0.1 . 2 . . . . . . . . 6268 1 876 . 1 1 93 93 LEU HD22 H 1 0.761 0.1 . 2 . . . . . . . . 6268 1 877 . 1 1 93 93 LEU HD23 H 1 0.761 0.1 . 2 . . . . . . . . 6268 1 878 . 1 1 94 94 LYS N N 15 120.361 0.2 . 1 . . . . . . . . 6268 1 879 . 1 1 94 94 LYS H H 1 7.966 0.1 . 1 . . . . . . . . 6268 1 880 . 1 1 94 94 LYS CA C 13 57.787 0.2 . 1 . . . . . . . . 6268 1 881 . 1 1 94 94 LYS HA H 1 3.983 0.1 . 1 . . . . . . . . 6268 1 882 . 1 1 94 94 LYS CB C 13 32.818 0.2 . 1 . . . . . . . . 6268 1 883 . 1 1 94 94 LYS HB2 H 1 1.922 0.1 . 2 . . . . . . . . 6268 1 884 . 1 1 94 94 LYS CG C 13 25.309 0.2 . 1 . . . . . . . . 6268 1 885 . 1 1 94 94 LYS HG2 H 1 1.502 0.1 . 2 . . . . . . . . 6268 1 886 . 1 1 94 94 LYS CD C 13 29.123 0.2 . 1 . . . . . . . . 6268 1 887 . 1 1 94 94 LYS HD2 H 1 1.613 0.1 . 2 . . . . . . . . 6268 1 888 . 1 1 94 94 LYS CE C 13 42.100 0.2 . 1 . . . . . . . . 6268 1 889 . 1 1 94 94 LYS HE2 H 1 2.825 0.1 . 2 . . . . . . . . 6268 1 890 . 1 1 94 94 LYS HE3 H 1 2.778 0.1 . 2 . . . . . . . . 6268 1 891 . 1 1 95 95 ASN N N 15 118.034 0.2 . 1 . . . . . . . . 6268 1 892 . 1 1 95 95 ASN H H 1 8.269 0.1 . 1 . . . . . . . . 6268 1 893 . 1 1 95 95 ASN CA C 13 53.410 0.2 . 1 . . . . . . . . 6268 1 894 . 1 1 95 95 ASN HA H 1 4.679 0.1 . 1 . . . . . . . . 6268 1 895 . 1 1 95 95 ASN CB C 13 38.722 0.2 . 1 . . . . . . . . 6268 1 896 . 1 1 95 95 ASN HB2 H 1 2.838 0.1 . 2 . . . . . . . . 6268 1 897 . 1 1 95 95 ASN HB3 H 1 2.732 0.1 . 2 . . . . . . . . 6268 1 898 . 1 1 96 96 ALA N N 15 123.791 0.2 . 1 . . . . . . . . 6268 1 899 . 1 1 96 96 ALA H H 1 8.009 0.1 . 1 . . . . . . . . 6268 1 900 . 1 1 96 96 ALA CA C 13 52.995 0.2 . 1 . . . . . . . . 6268 1 901 . 1 1 96 96 ALA HA H 1 4.313 0.1 . 1 . . . . . . . . 6268 1 902 . 1 1 96 96 ALA CB C 13 19.131 0.2 . 1 . . . . . . . . 6268 1 903 . 1 1 96 96 ALA HB1 H 1 1.430 0.1 . 1 . . . . . . . . 6268 1 904 . 1 1 96 96 ALA HB2 H 1 1.430 0.1 . 1 . . . . . . . . 6268 1 905 . 1 1 96 96 ALA HB3 H 1 1.430 0.1 . 1 . . . . . . . . 6268 1 906 . 1 1 97 97 SER N N 15 114.178 0.2 . 1 . . . . . . . . 6268 1 907 . 1 1 97 97 SER H H 1 8.178 0.1 . 1 . . . . . . . . 6268 1 908 . 1 1 97 97 SER CA C 13 58.712 0.2 . 1 . . . . . . . . 6268 1 909 . 1 1 97 97 SER HA H 1 4.393 0.1 . 1 . . . . . . . . 6268 1 910 . 1 1 97 97 SER CB C 13 63.756 0.2 . 1 . . . . . . . . 6268 1 911 . 1 1 97 97 SER HB2 H 1 3.921 0.1 . 2 . . . . . . . . 6268 1 912 . 1 1 97 97 SER HB3 H 1 3.856 0.1 . 2 . . . . . . . . 6268 1 913 . 1 1 98 98 ASP N N 15 122.000 0.2 . 1 . . . . . . . . 6268 1 914 . 1 1 98 98 ASP H H 1 8.222 0.1 . 1 . . . . . . . . 6268 1 915 . 1 1 98 98 ASP CA C 13 54.332 0.2 . 1 . . . . . . . . 6268 1 916 . 1 1 98 98 ASP HA H 1 4.603 0.1 . 1 . . . . . . . . 6268 1 917 . 1 1 98 98 ASP CB C 13 41.071 0.2 . 1 . . . . . . . . 6268 1 918 . 1 1 98 98 ASP HB3 H 1 2.666 0.1 . 2 . . . . . . . . 6268 1 919 . 1 1 99 99 LYS N N 15 121.537 0.2 . 1 . . . . . . . . 6268 1 920 . 1 1 99 99 LYS H H 1 8.057 0.1 . 1 . . . . . . . . 6268 1 921 . 1 1 99 99 LYS CA C 13 56.158 0.2 . 1 . . . . . . . . 6268 1 922 . 1 1 99 99 LYS HA H 1 4.304 0.1 . 1 . . . . . . . . 6268 1 923 . 1 1 99 99 LYS CB C 13 32.752 0.2 . 1 . . . . . . . . 6268 1 924 . 1 1 99 99 LYS HB2 H 1 1.852 0.1 . 2 . . . . . . . . 6268 1 925 . 1 1 99 99 LYS HB3 H 1 1.730 0.1 . 2 . . . . . . . . 6268 1 926 . 1 1 99 99 LYS CG C 13 24.638 0.2 . 1 . . . . . . . . 6268 1 927 . 1 1 99 99 LYS HG2 H 1 1.426 0.1 . 2 . . . . . . . . 6268 1 928 . 1 1 99 99 LYS HG3 H 1 1.389 0.1 . 2 . . . . . . . . 6268 1 929 . 1 1 99 99 LYS CD C 13 28.956 0.2 . 1 . . . . . . . . 6268 1 930 . 1 1 99 99 LYS HD2 H 1 1.680 0.1 . 2 . . . . . . . . 6268 1 931 . 1 1 99 99 LYS CE C 13 42.273 0.2 . 1 . . . . . . . . 6268 1 932 . 1 1 99 99 LYS HE2 H 1 2.980 0.1 . 2 . . . . . . . . 6268 1 933 . 1 1 100 100 ARG N N 15 127.794 0.2 . 1 . . . . . . . . 6268 1 934 . 1 1 100 100 ARG H H 1 7.930 0.1 . 1 . . . . . . . . 6268 1 935 . 1 1 100 100 ARG CA C 13 57.419 0.2 . 1 . . . . . . . . 6268 1 936 . 1 1 100 100 ARG HA H 1 4.142 0.1 . 1 . . . . . . . . 6268 1 937 . 1 1 100 100 ARG CB C 13 31.479 0.2 . 1 . . . . . . . . 6268 1 938 . 1 1 100 100 ARG HB2 H 1 1.823 0.1 . 2 . . . . . . . . 6268 1 939 . 1 1 100 100 ARG HB3 H 1 1.695 0.1 . 2 . . . . . . . . 6268 1 940 . 1 1 100 100 ARG CD C 13 43.343 0.2 . 1 . . . . . . . . 6268 1 941 . 1 1 100 100 ARG HD2 H 1 3.148 0.1 . 2 . . . . . . . . 6268 1 stop_ save_