data_15796 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15796 _Entry.Title ; E2-c-Cbl recognition is necessary but not sufficient for ubiquitination activity ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-06 _Entry.Accession_date 2008-06-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Anding Huang . . . 15796 2 Rob 'De Jong' . N. . 15796 3 Wienk Hans . . . 15796 4 Winkler Sebastiaan . G. . 15796 5 Timmers Marc . H.Th. . 15796 6 Boelens Rolf . . . 15796 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15796 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID c-Cbl . 15796 nmr . 15796 protein . 15796 UbcH5B . 15796 UbcH7 . 15796 ubiquitin . 15796 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 15796 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 403 15796 '15N chemical shifts' 93 15796 '1H chemical shifts' 590 15796 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 3 . . 2010-05-27 2008-06-06 update BMRB 'update entity/assembly name' 15796 2 . . 2009-02-24 2008-06-06 update BMRB 'complete entry citation' 15796 1 . . 2008-11-14 2008-06-06 original author 'original release' 15796 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1FBV 'c-Cbl UbcH7 crystal structure' 15796 PDB 2K4D 'BMRB Entry Tracking System' 15796 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15796 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18996392 _Citation.Full_citation . _Citation.Title 'E2-c-Cbl recognition is necessary but not sufficient for ubiquitination activity' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 385 _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 507 _Citation.Page_last 519 _Citation.Year 2008 _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 Anding Huang . . . 15796 1 2 Rob 'De Jong' . N. . 15796 1 3 Hans Wienk . . . 15796 1 4 Sebastiaan Winkler G. . . 15796 1 5 Marc Timmers 'H. Th.' . . 15796 1 6 Rolf Boelens . . . 15796 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15796 _Assembly.ID 1 _Assembly.Name E2-c-Cbl _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; Distance \u201cSG 381 27\u201d and \u201cZN 500\u201d Distance=1.93 A Distance \u201cSG 384 30\u201d and \u201cZN 500\u201d Distance=1.86 A Distance \u201cSG 401 47\u201d and \u201cZN 500\u201d Distance=1.85 A Distance \u201cSG 404 50\u201d and \u201cZN 500\u201d Distance=1.83 A Distance \u201cSG 396 42\u201d and \u201cZN 600\u201d Distance=1.78 A Distance \u201cND1 398 44\u201d and \u201cZN 600\u201dDistance=2.58 A Distance \u201cSG 416 62\u201d and \u201cZN 600\u201d Distance=1.81 A Distance \u201cSG 421 65\u201d and \u201cZN 600\u201d Distance=1.78 A ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 E2-c-Cbl 1 $entity_1 A . yes native no no . . . 15796 1 2 'ZINC ION_1' 2 $ZN B . no native no no . . . 15796 1 3 'ZINC ION_2' 2 $ZN C . no native no no . . . 15796 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 disulfide single . 1 entity_1 1 CYS 27 27 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 381 CYS SG . . . . . 15796 1 2 disulfide single . 1 entity_1 1 CYS 30 30 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 384 CYS SG . . . . . 15796 1 3 disulfide single . 1 entity_1 1 CYS 47 47 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 401 CYS SG . . . . . 15796 1 4 disulfide single . 1 entity_1 1 CYS 50 50 SG . 2 'ZINC ION_1' 2 ZN 1 1 ZN . . 404 CYS SG . . . . . 15796 1 5 disulfide single . 1 entity_1 1 CYS 42 42 SG . 3 'ZINC ION_1' 2 ZN 1 1 ZN . . 396 CYS SG . . . . . 15796 1 6 disulfide single . 1 entity_1 1 HIS 44 44 ND1 . 3 'ZINC ION_1' 2 ZN 1 1 ZN . . 398 HIS ND1 . . . . . 15796 1 7 disulfide single . 1 entity_1 1 CYS 62 62 SG . 3 'ZINC ION_1' 2 ZN 1 1 ZN . . 416 CYS SG . . . . . 15796 1 8 disulfide single . 1 entity_1 1 CYS 65 65 SG . 3 'ZINC ION_1' 2 ZN 1 1 ZN . . 421 CYS SG . . . . . 15796 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 15796 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name E2-c-Cbl _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSLQDHIKVTQEQYELYCEM GSTFQLCKICAENDKDVKIE PCGHLMCTSCLTSWQESEGQ GCPFCRCEIKGTEPIVVDPF DPR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N-terminal GSL is a cloning artifact due to thrombin cleavage' _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'E3 c-Cbl ligase RING domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9387.704 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1FBV . "Structure Of A Cbl-Ubch7 Complex: Ring Domain Function In Ubiquitin-Protein Ligases" . . . . . 92.77 388 100.00 100.00 4.28e-47 . . . . 15796 1 2 no PDB 2K4D . "E2-C-Cbl Recognition Is Necessary But Not Sufficient For Ubiquitination Activity" . . . . . 100.00 83 100.00 100.00 3.23e-53 . . . . 15796 1 3 no PDB 2Y1M . "Structure Of Native C-Cbl" . . . . . 93.98 389 100.00 100.00 6.10e-48 . . . . 15796 1 4 no PDB 2Y1N . "Structure Of C-Cbl-Zap-70 Peptide Complex" . . . . . 93.98 389 100.00 100.00 6.10e-48 . . . . 15796 1 5 no PDB 4A49 . "Structure Of Phosphotyr371-C-Cbl-Ubch5b Complex" . . . . . 93.98 84 97.44 98.72 2.68e-47 . . . . 15796 1 6 no PDB 4A4B . "Structure Of Modified Phosphotyr371-C-Cbl-Ubch5b-Zap-70 Complex" . . . . . 93.98 391 97.44 98.72 3.52e-46 . . . . 15796 1 7 no PDB 4A4C . "Structure Of Phosphotyr371-C-Cbl-Ubch5b-Zap-70 Complex" . . . . . 93.98 391 98.72 98.72 1.10e-46 . . . . 15796 1 8 no DBJ BAC26087 . "unnamed protein product [Mus musculus]" . . . . . 96.39 913 100.00 100.00 8.94e-49 . . . . 15796 1 9 no DBJ BAE32253 . "unnamed protein product [Mus musculus]" . . . . . 96.39 913 100.00 100.00 8.94e-49 . . . . 15796 1 10 no EMBL CAA40393 . "c-cbl [Homo sapiens]" . . . . . 96.39 906 100.00 100.00 1.27e-48 . . . . 15796 1 11 no GB AAF43710 . "Cbl proto-oncogene protein, partial [Xenopus laevis]" . . . . . 96.39 565 100.00 100.00 4.11e-50 . . . . 15796 1 12 no GB AAG60692 . "tyrosine kinase negative regulator Cbl [Gallus gallus]" . . . . . 96.39 903 98.75 100.00 2.12e-48 . . . . 15796 1 13 no GB AAH76671 . "Cas-Br-M (murine) ecotropic retroviral transforming sequence b [Xenopus (Silurana) tropicalis]" . . . . . 96.39 982 97.50 98.75 3.75e-47 . . . . 15796 1 14 no GB AAH93450 . "cbl-prov protein, partial [Xenopus (Silurana) tropicalis]" . . . . . 96.39 923 100.00 100.00 4.23e-50 . . . . 15796 1 15 no GB AAI21225 . "Unknown (protein for IMAGE:7695174), partial [Xenopus (Silurana) tropicalis]" . . . . . 96.39 923 100.00 100.00 4.23e-50 . . . . 15796 1 16 no REF NP_001006802 . "E3 ubiquitin-protein ligase CBL-B [Xenopus (Silurana) tropicalis]" . . . . . 96.39 982 97.50 98.75 3.75e-47 . . . . 15796 1 17 no REF NP_001122110 . "E3 ubiquitin-protein ligase CBL [Xenopus (Silurana) tropicalis]" . . . . . 96.39 888 100.00 100.00 2.09e-50 . . . . 15796 1 18 no REF NP_001245076 . "E3 ubiquitin-protein ligase CBL [Macaca mulatta]" . . . . . 96.39 907 100.00 100.00 1.26e-48 . . . . 15796 1 19 no REF NP_005179 . "E3 ubiquitin-protein ligase CBL [Homo sapiens]" . . . . . 96.39 906 100.00 100.00 1.20e-48 . . . . 15796 1 20 no REF NP_031645 . "E3 ubiquitin-protein ligase CBL [Mus musculus]" . . . . . 96.39 913 100.00 100.00 8.94e-49 . . . . 15796 1 21 no SP P22681 . "RecName: Full=E3 ubiquitin-protein ligase CBL; AltName: Full=Casitas B-lineage lymphoma proto-oncogene; AltName: Full=Proto-onc" . . . . . 96.39 906 100.00 100.00 1.20e-48 . . . . 15796 1 22 no SP P22682 . "RecName: Full=E3 ubiquitin-protein ligase CBL; AltName: Full=Casitas B-lineage lymphoma proto-oncogene; AltName: Full=Proto-onc" . . . . . 96.39 913 100.00 100.00 8.94e-49 . . . . 15796 1 23 no SP Q6DFR2 . "RecName: Full=E3 ubiquitin-protein ligase CBL-B; AltName: Full=SH3-binding protein CBL-B; AltName: Full=Signal transduction pro" . . . . . 96.39 982 97.50 98.75 3.75e-47 . . . . 15796 1 24 no TPG DAA22315 . "TPA: c-cbl-like [Bos taurus]" . . . . . 96.39 936 100.00 100.00 1.70e-48 . . . . 15796 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 1 355 GLY . 15796 1 2 356 SER . 15796 1 3 357 LEU . 15796 1 4 358 GLN . 15796 1 5 359 ASP . 15796 1 6 360 HIS . 15796 1 7 361 ILE . 15796 1 8 362 LYS . 15796 1 9 363 VAL . 15796 1 10 364 THR . 15796 1 11 365 GLN . 15796 1 12 366 GLU . 15796 1 13 367 GLN . 15796 1 14 368 TYR . 15796 1 15 369 GLU . 15796 1 16 370 LEU . 15796 1 17 371 TYR . 15796 1 18 372 CYS . 15796 1 19 373 GLU . 15796 1 20 374 MET . 15796 1 21 375 GLY . 15796 1 22 376 SER . 15796 1 23 377 THR . 15796 1 24 378 PHE . 15796 1 25 379 GLN . 15796 1 26 380 LEU . 15796 1 27 381 CYS . 15796 1 28 382 LYS . 15796 1 29 383 ILE . 15796 1 30 384 CYS . 15796 1 31 385 ALA . 15796 1 32 386 GLU . 15796 1 33 387 ASN . 15796 1 34 388 ASP . 15796 1 35 389 LYS . 15796 1 36 390 ASP . 15796 1 37 391 VAL . 15796 1 38 392 LYS . 15796 1 39 393 ILE . 15796 1 40 394 GLU . 15796 1 41 395 PRO . 15796 1 42 396 CYS . 15796 1 43 397 GLY . 15796 1 44 398 HIS . 15796 1 45 399 LEU . 15796 1 46 400 MET . 15796 1 47 401 CYS . 15796 1 48 402 THR . 15796 1 49 403 SER . 15796 1 50 404 CYS . 15796 1 51 405 LEU . 15796 1 52 406 THR . 15796 1 53 407 SER . 15796 1 54 408 TRP . 15796 1 55 409 GLN . 15796 1 56 410 GLU . 15796 1 57 411 SER . 15796 1 58 412 GLU . 15796 1 59 413 GLY . 15796 1 60 414 GLN . 15796 1 61 415 GLY . 15796 1 62 416 CYS . 15796 1 63 417 PRO . 15796 1 64 418 PHE . 15796 1 65 419 CYS . 15796 1 66 420 ARG . 15796 1 67 421 CYS . 15796 1 68 422 GLU . 15796 1 69 423 ILE . 15796 1 70 424 LYS . 15796 1 71 425 GLY . 15796 1 72 426 THR . 15796 1 73 427 GLU . 15796 1 74 428 PRO . 15796 1 75 429 ILE . 15796 1 76 430 VAL . 15796 1 77 431 VAL . 15796 1 78 432 ASP . 15796 1 79 433 PRO . 15796 1 80 434 PHE . 15796 1 81 435 ASP . 15796 1 82 436 PRO . 15796 1 83 437 ARG . 15796 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 . GLY 1 1 15796 1 . SER 2 2 15796 1 . LEU 3 3 15796 1 . GLN 4 4 15796 1 . ASP 5 5 15796 1 . HIS 6 6 15796 1 . ILE 7 7 15796 1 . LYS 8 8 15796 1 . VAL 9 9 15796 1 . THR 10 10 15796 1 . GLN 11 11 15796 1 . GLU 12 12 15796 1 . GLN 13 13 15796 1 . TYR 14 14 15796 1 . GLU 15 15 15796 1 . LEU 16 16 15796 1 . TYR 17 17 15796 1 . CYS 18 18 15796 1 . GLU 19 19 15796 1 . MET 20 20 15796 1 . GLY 21 21 15796 1 . SER 22 22 15796 1 . THR 23 23 15796 1 . PHE 24 24 15796 1 . GLN 25 25 15796 1 . LEU 26 26 15796 1 . CYS 27 27 15796 1 . LYS 28 28 15796 1 . ILE 29 29 15796 1 . CYS 30 30 15796 1 . ALA 31 31 15796 1 . GLU 32 32 15796 1 . ASN 33 33 15796 1 . ASP 34 34 15796 1 . LYS 35 35 15796 1 . ASP 36 36 15796 1 . VAL 37 37 15796 1 . LYS 38 38 15796 1 . ILE 39 39 15796 1 . GLU 40 40 15796 1 . PRO 41 41 15796 1 . CYS 42 42 15796 1 . GLY 43 43 15796 1 . HIS 44 44 15796 1 . LEU 45 45 15796 1 . MET 46 46 15796 1 . CYS 47 47 15796 1 . THR 48 48 15796 1 . SER 49 49 15796 1 . CYS 50 50 15796 1 . LEU 51 51 15796 1 . THR 52 52 15796 1 . SER 53 53 15796 1 . TRP 54 54 15796 1 . GLN 55 55 15796 1 . GLU 56 56 15796 1 . SER 57 57 15796 1 . GLU 58 58 15796 1 . GLY 59 59 15796 1 . GLN 60 60 15796 1 . GLY 61 61 15796 1 . CYS 62 62 15796 1 . PRO 63 63 15796 1 . PHE 64 64 15796 1 . CYS 65 65 15796 1 . ARG 66 66 15796 1 . CYS 67 67 15796 1 . GLU 68 68 15796 1 . ILE 69 69 15796 1 . LYS 70 70 15796 1 . GLY 71 71 15796 1 . THR 72 72 15796 1 . GLU 73 73 15796 1 . PRO 74 74 15796 1 . ILE 75 75 15796 1 . VAL 76 76 15796 1 . VAL 77 77 15796 1 . ASP 78 78 15796 1 . PRO 79 79 15796 1 . PHE 80 80 15796 1 . ASP 81 81 15796 1 . PRO 82 82 15796 1 . ARG 83 83 15796 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15796 _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 . 15796 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 15796 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15796 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 15796 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) Rosetta 2' . . . . . . . . . . . . . . . pLICHISGST . . . . . . 15796 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 15796 _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 . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _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 ZN _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _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 Fri Feb 15 21:22:05 2008 ; _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 InChI=1/Zn/q+2 InChI InChI 1.01 15796 ZN [Zn++] SMILES CACTVS 3.341 15796 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 15796 ZN [Zn+2] SMILES ACDLabs 10.04 15796 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 15796 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15796 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 15796 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15796 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 . . . . . . . . . . . . . . . 15796 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15796 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-99% 15N]' . . 1 $entity_1 . . 1 . . mM 0.2 . . . 15796 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15796 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15796 1 4 'zinc chloride' 'natural abundance' . . . . . . 100 . . uM . . . . 15796 1 5 PMSF 'natural abundance' . . . . . . 0.2 . . mM . . . . 15796 1 6 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15796 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15796 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM 0.2 . . . 15796 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15796 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15796 2 4 'zinc chloride' 'natural abundance' . . . . . . 100 . . uM . . . . 15796 2 5 PMSF 'natural abundance' . . . . . . 0.2 . . mM . . . . 15796 2 6 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 15796 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15796 _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 'ionic strength' 150 . mM 15796 1 pH 7.3 . pH 15796 1 pressure 1 . atm 15796 1 temperature 298 . K 15796 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15796 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1.1 _Software.Details 'followed by water refinement according to RECOORD protocols' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15796 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15796 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15796 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15796 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15796 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 15796 1 2 spectrometer_2 Bruker Avance . 700 . . . 15796 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 15796 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15796 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15796 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15796 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15796 1 5 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15796 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15796 1 7 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15796 1 8 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15796 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15796 1 10 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15796 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15796 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15796 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15796 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15796 1 15 '3D HNCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15796 1 16 '3D CNH-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15796 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15796 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15796 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15796 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15796 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15796 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15796 1 2 '2D 1H-13C HSQC' . . . 15796 1 3 '2D 1H-1H NOESY' . . . 15796 1 4 '3D CBCA(CO)NH' . . . 15796 1 5 '3D C(CO)NH' . . . 15796 1 6 '3D HNCO' . . . 15796 1 7 '3D HNCA' . . . 15796 1 8 '3D HNCACB' . . . 15796 1 9 '3D HBHA(CO)NH' . . . 15796 1 10 '3D HN(CO)CA' . . . 15796 1 11 '3D HCCH-TOCSY' . . . 15796 1 12 '3D 1H-15N NOESY' . . . 15796 1 13 '3D 1H-15N TOCSY' . . . 15796 1 14 '3D 1H-13C NOESY' . . . 15796 1 15 '3D HNCACO' . . . 15796 1 16 '3D CNH-NOESY' . . . 15796 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 3 3 LEU HA H 1 4.257 0.003 . 1 . . . . 357 L HA . 15796 1 2 . 1 1 3 3 LEU HB2 H 1 1.552 0.005 . 2 . . . . 357 L HB1 . 15796 1 3 . 1 1 3 3 LEU HB3 H 1 1.587 0.007 . 2 . . . . 357 L HB2 . 15796 1 4 . 1 1 3 3 LEU HD11 H 1 0.809 0.003 . 1 . . . . 357 L MD1 . 15796 1 5 . 1 1 3 3 LEU HD12 H 1 0.809 0.003 . 1 . . . . 357 L MD1 . 15796 1 6 . 1 1 3 3 LEU HD13 H 1 0.809 0.003 . 1 . . . . 357 L MD1 . 15796 1 7 . 1 1 3 3 LEU HD21 H 1 0.846 0.008 . 1 . . . . 357 L MD2 . 15796 1 8 . 1 1 3 3 LEU HD22 H 1 0.846 0.008 . 1 . . . . 357 L MD2 . 15796 1 9 . 1 1 3 3 LEU HD23 H 1 0.846 0.008 . 1 . . . . 357 L MD2 . 15796 1 10 . 1 1 3 3 LEU HG H 1 1.576 0.003 . 1 . . . . 357 L HG . 15796 1 11 . 1 1 3 3 LEU C C 13 174.994 0.001 . 1 . . . . 357 L C . 15796 1 12 . 1 1 3 3 LEU CA C 13 53.329 0.087 . 1 . . . . 357 L CA . 15796 1 13 . 1 1 3 3 LEU CB C 13 39.382 0.047 . 1 . . . . 357 L CB . 15796 1 14 . 1 1 3 3 LEU CD1 C 13 21.036 0.009 . 2 . . . . 357 L CD1 . 15796 1 15 . 1 1 3 3 LEU CD2 C 13 22.074 0.042 . 2 . . . . 357 L CD2 . 15796 1 16 . 1 1 3 3 LEU CG C 13 24.299 0.112 . 1 . . . . 357 L CG . 15796 1 17 . 1 1 4 4 GLN H H 1 8.234 0.004 . 1 . . . . 358 Q HN . 15796 1 18 . 1 1 4 4 GLN HA H 1 4.211 0.007 . 1 . . . . 358 Q HA . 15796 1 19 . 1 1 4 4 GLN HB2 H 1 1.903 0.005 . 2 . . . . 358 Q HB1 . 15796 1 20 . 1 1 4 4 GLN HB3 H 1 2.002 0.006 . 2 . . . . 358 Q HB2 . 15796 1 21 . 1 1 4 4 GLN HE21 H 1 6.799 0.003 . 2 . . . . 358 Q HE21 . 15796 1 22 . 1 1 4 4 GLN HE22 H 1 7.461 0.003 . 2 . . . . 358 Q HE22 . 15796 1 23 . 1 1 4 4 GLN HG2 H 1 2.214 0.003 . 2 . . . . 358 Q HG1 . 15796 1 24 . 1 1 4 4 GLN HG3 H 1 2.291 0.003 . 2 . . . . 358 Q HG2 . 15796 1 25 . 1 1 4 4 GLN C C 13 173.357 0.010 . 1 . . . . 358 Q C . 15796 1 26 . 1 1 4 4 GLN CA C 13 53.791 0.052 . 1 . . . . 358 Q CA . 15796 1 27 . 1 1 4 4 GLN CB C 13 26.456 0.048 . 1 . . . . 358 Q CB . 15796 1 28 . 1 1 4 4 GLN CG C 13 31.182 0.074 . 1 . . . . 358 Q CG . 15796 1 29 . 1 1 4 4 GLN N N 15 119.506 0.032 . 1 . . . . 358 Q N . 15796 1 30 . 1 1 4 4 GLN NE2 N 15 112.374 0.030 . 1 . . . . 358 Q NE2 . 15796 1 31 . 1 1 5 5 ASP H H 1 8.090 0.007 . 1 . . . . 359 D HN . 15796 1 32 . 1 1 5 5 ASP HA H 1 4.458 0.003 . 1 . . . . 359 D HA . 15796 1 33 . 1 1 5 5 ASP HB2 H 1 2.568 0.003 . 2 . . . . 359 D QB . 15796 1 34 . 1 1 5 5 ASP HB3 H 1 2.568 0.003 . 2 . . . . 359 D QB . 15796 1 35 . 1 1 5 5 ASP C C 13 173.492 0.011 . 1 . . . . 359 D C . 15796 1 36 . 1 1 5 5 ASP CA C 13 52.309 0.062 . 1 . . . . 359 D CA . 15796 1 37 . 1 1 5 5 ASP CB C 13 38.312 0.047 . 1 . . . . 359 D CB . 15796 1 38 . 1 1 5 5 ASP N N 15 120.683 0.048 . 1 . . . . 359 D N . 15796 1 39 . 1 1 6 6 HIS H H 1 8.103 0.006 . 1 . . . . 360 H HN . 15796 1 40 . 1 1 6 6 HIS HA H 1 4.540 0.007 . 1 . . . . 360 H HA . 15796 1 41 . 1 1 6 6 HIS HB2 H 1 3.047 0.003 . 2 . . . . 360 H HB1 . 15796 1 42 . 1 1 6 6 HIS HB3 H 1 3.082 0.005 . 2 . . . . 360 H HB2 . 15796 1 43 . 1 1 6 6 HIS HD2 H 1 6.960 0.002 . 1 . . . . 360 H HD2 . 15796 1 44 . 1 1 6 6 HIS HE1 H 1 7.864 0.001 . 1 . . . . 360 H HE1 . 15796 1 45 . 1 1 6 6 HIS C C 13 172.801 0.006 . 1 . . . . 360 H C . 15796 1 46 . 1 1 6 6 HIS CA C 13 53.874 0.087 . 1 . . . . 360 H CA . 15796 1 47 . 1 1 6 6 HIS CB C 13 27.878 0.056 . 1 . . . . 360 H CB . 15796 1 48 . 1 1 6 6 HIS CD2 C 13 117.018 0.001 . 1 . . . . 360 H CD2 . 15796 1 49 . 1 1 6 6 HIS CE1 C 13 135.411 0.001 . 1 . . . . 360 H CE1 . 15796 1 50 . 1 1 6 6 HIS N N 15 118.844 0.021 . 1 . . . . 360 H N . 15796 1 51 . 1 1 7 7 ILE H H 1 7.862 0.007 . 1 . . . . 361 I H . 15796 1 52 . 1 1 7 7 ILE HA H 1 4.010 0.004 . 1 . . . . 361 I HA . 15796 1 53 . 1 1 7 7 ILE HB H 1 1.770 0.003 . 1 . . . . 361 I HB . 15796 1 54 . 1 1 7 7 ILE HD11 H 1 0.743 0.005 . 1 . . . . 361 I HD1 . 15796 1 55 . 1 1 7 7 ILE HD12 H 1 0.743 0.005 . 1 . . . . 361 I HD1 . 15796 1 56 . 1 1 7 7 ILE HD13 H 1 0.743 0.005 . 1 . . . . 361 I HD1 . 15796 1 57 . 1 1 7 7 ILE HG12 H 1 1.043 0.003 . 2 . . . . 361 I HG11 . 15796 1 58 . 1 1 7 7 ILE HG13 H 1 1.341 0.004 . 2 . . . . 361 I HG12 . 15796 1 59 . 1 1 7 7 ILE HG21 H 1 0.785 0.007 . 1 . . . . 361 I HG2 . 15796 1 60 . 1 1 7 7 ILE HG22 H 1 0.785 0.007 . 1 . . . . 361 I HG2 . 15796 1 61 . 1 1 7 7 ILE HG23 H 1 0.785 0.007 . 1 . . . . 361 I HG2 . 15796 1 62 . 1 1 7 7 ILE C C 13 173.268 0.001 . 1 . . . . 361 I C . 15796 1 63 . 1 1 7 7 ILE CA C 13 58.740 0.076 . 1 . . . . 361 I CA . 15796 1 64 . 1 1 7 7 ILE CB C 13 35.788 0.085 . 1 . . . . 361 I CB . 15796 1 65 . 1 1 7 7 ILE CD1 C 13 10.174 0.047 . 1 . . . . 361 I CD1 . 15796 1 66 . 1 1 7 7 ILE CG1 C 13 24.743 0.042 . 1 . . . . 361 I CG1 . 15796 1 67 . 1 1 7 7 ILE CG2 C 13 14.742 0.062 . 1 . . . . 361 I CG2 . 15796 1 68 . 1 1 7 7 ILE N N 15 121.598 0.078 . 1 . . . . 361 I N . 15796 1 69 . 1 1 8 8 LYS H H 1 8.231 0.008 . 1 . . . . 362 K HN . 15796 1 70 . 1 1 8 8 LYS HA H 1 4.313 0.008 . 1 . . . . 362 K HA . 15796 1 71 . 1 1 8 8 LYS HB2 H 1 1.702 0.006 . 2 . . . . 362 K HB1 . 15796 1 72 . 1 1 8 8 LYS HB3 H 1 1.771 0.007 . 2 . . . . 362 K HB2 . 15796 1 73 . 1 1 8 8 LYS HD2 H 1 1.616 0.002 . 2 . . . . 362 K QD . 15796 1 74 . 1 1 8 8 LYS HD3 H 1 1.616 0.002 . 2 . . . . 362 K QD . 15796 1 75 . 1 1 8 8 LYS HE2 H 1 2.924 0.003 . 2 . . . . 362 K QE . 15796 1 76 . 1 1 8 8 LYS HE3 H 1 2.924 0.003 . 2 . . . . 362 K QE . 15796 1 77 . 1 1 8 8 LYS HG2 H 1 1.328 0.004 . 2 . . . . 362 K HG1 . 15796 1 78 . 1 1 8 8 LYS HG3 H 1 1.390 0.003 . 2 . . . . 362 K HG2 . 15796 1 79 . 1 1 8 8 LYS C C 13 173.899 0.009 . 1 . . . . 362 K C . 15796 1 80 . 1 1 8 8 LYS CA C 13 53.677 0.082 . 1 . . . . 362 K CA . 15796 1 81 . 1 1 8 8 LYS CB C 13 30.355 0.053 . 1 . . . . 362 K CB . 15796 1 82 . 1 1 8 8 LYS CD C 13 26.404 0.069 . 1 . . . . 362 K CD . 15796 1 83 . 1 1 8 8 LYS CE C 13 39.469 0.030 . 1 . . . . 362 K CE . 15796 1 84 . 1 1 8 8 LYS CG C 13 22.106 0.066 . 1 . . . . 362 K CG . 15796 1 85 . 1 1 8 8 LYS N N 15 124.980 0.057 . 1 . . . . 362 K N . 15796 1 86 . 1 1 9 9 VAL H H 1 8.044 0.006 . 1 . . . . 363 V HN . 15796 1 87 . 1 1 9 9 VAL HA H 1 4.089 0.010 . 1 . . . . 363 V HA . 15796 1 88 . 1 1 9 9 VAL HB H 1 2.045 0.006 . 1 . . . . 363 V HB . 15796 1 89 . 1 1 9 9 VAL HG11 H 1 0.874 0.005 . 1 . . . . 363 V QG1 . 15796 1 90 . 1 1 9 9 VAL HG12 H 1 0.874 0.005 . 1 . . . . 363 V QG1 . 15796 1 91 . 1 1 9 9 VAL HG13 H 1 0.874 0.005 . 1 . . . . 363 V QG1 . 15796 1 92 . 1 1 9 9 VAL HG21 H 1 0.879 0.002 . 1 . . . . 363 V QG2 . 15796 1 93 . 1 1 9 9 VAL HG22 H 1 0.879 0.002 . 1 . . . . 363 V QG2 . 15796 1 94 . 1 1 9 9 VAL HG23 H 1 0.879 0.002 . 1 . . . . 363 V QG2 . 15796 1 95 . 1 1 9 9 VAL C C 13 173.760 0.001 . 1 . . . . 363 V C . 15796 1 96 . 1 1 9 9 VAL CA C 13 59.814 0.078 . 1 . . . . 363 V CA . 15796 1 97 . 1 1 9 9 VAL CB C 13 30.058 0.086 . 1 . . . . 363 V CB . 15796 1 98 . 1 1 9 9 VAL CG1 C 13 18.081 0.105 . 2 . . . . 363 V CG1 . 15796 1 99 . 1 1 9 9 VAL CG2 C 13 18.567 0.073 . 2 . . . . 363 V CG2 . 15796 1 100 . 1 1 9 9 VAL N N 15 121.366 0.082 . 1 . . . . 363 V N . 15796 1 101 . 1 1 10 10 THR H H 1 8.076 0.006 . 1 . . . . 364 T HN . 15796 1 102 . 1 1 10 10 THR HA H 1 4.302 0.006 . 1 . . . . 364 T HA . 15796 1 103 . 1 1 10 10 THR HB H 1 4.292 0.003 . 1 . . . . 364 T HB . 15796 1 104 . 1 1 10 10 THR HG21 H 1 1.150 0.003 . 1 . . . . 364 T HG2 . 15796 1 105 . 1 1 10 10 THR HG22 H 1 1.150 0.003 . 1 . . . . 364 T HG2 . 15796 1 106 . 1 1 10 10 THR HG23 H 1 1.150 0.003 . 1 . . . . 364 T HG2 . 15796 1 107 . 1 1 10 10 THR C C 13 172.135 0.012 . 1 . . . . 364 T C . 15796 1 108 . 1 1 10 10 THR CA C 13 59.134 0.063 . 1 . . . . 364 T CA . 15796 1 109 . 1 1 10 10 THR CB C 13 67.415 0.070 . 1 . . . . 364 T CB . 15796 1 110 . 1 1 10 10 THR CG2 C 13 19.070 0.049 . 1 . . . . 364 T CG2 . 15796 1 111 . 1 1 10 10 THR N N 15 116.817 0.038 . 1 . . . . 364 T N . 15796 1 112 . 1 1 11 11 GLN H H 1 8.463 0.009 . 1 . . . . 365 Q HN . 15796 1 113 . 1 1 11 11 GLN HA H 1 4.046 0.005 . 1 . . . . 365 Q HA . 15796 1 114 . 1 1 11 11 GLN HB2 H 1 1.902 0.005 . 2 . . . . 365 Q HB1 . 15796 1 115 . 1 1 11 11 GLN HB3 H 1 1.995 0.003 . 2 . . . . 365 Q HB2 . 15796 1 116 . 1 1 11 11 GLN HE21 H 1 6.751 0.003 . 2 . . . . 365 Q HE21 . 15796 1 117 . 1 1 11 11 GLN HE22 H 1 7.581 0.004 . 2 . . . . 365 Q HE22 . 15796 1 118 . 1 1 11 11 GLN HG2 H 1 2.288 0.003 . 2 . . . . 365 Q QG . 15796 1 119 . 1 1 11 11 GLN HG3 H 1 2.288 0.003 . 2 . . . . 365 Q QG . 15796 1 120 . 1 1 11 11 GLN C C 13 173.944 0.020 . 1 . . . . 365 Q C . 15796 1 121 . 1 1 11 11 GLN CA C 13 54.517 0.082 . 1 . . . . 365 Q CA . 15796 1 122 . 1 1 11 11 GLN CB C 13 26.250 0.067 . 1 . . . . 365 Q CB . 15796 1 123 . 1 1 11 11 GLN CG C 13 30.928 0.077 . 1 . . . . 365 Q CG . 15796 1 124 . 1 1 11 11 GLN N N 15 122.059 0.023 . 1 . . . . 365 Q N . 15796 1 125 . 1 1 11 11 GLN NE2 N 15 112.161 0.028 . 1 . . . . 365 Q NE2 . 15796 1 126 . 1 1 12 12 GLU H H 1 8.449 0.004 . 1 . . . . 366 E HN . 15796 1 127 . 1 1 12 12 GLU HA H 1 4.093 0.004 . 1 . . . . 366 E HA . 15796 1 128 . 1 1 12 12 GLU HB2 H 1 1.903 0.004 . 2 . . . . 366 E QB . 15796 1 129 . 1 1 12 12 GLU HB3 H 1 1.903 0.004 . 2 . . . . 366 E QB . 15796 1 130 . 1 1 12 12 GLU HG2 H 1 2.210 0.004 . 2 . . . . 366 E QG . 15796 1 131 . 1 1 12 12 GLU HG3 H 1 2.210 0.004 . 2 . . . . 366 E QG . 15796 1 132 . 1 1 12 12 GLU C C 13 174.746 0.012 . 1 . . . . 366 E C . 15796 1 133 . 1 1 12 12 GLU CA C 13 55.235 0.044 . 1 . . . . 366 E CA . 15796 1 134 . 1 1 12 12 GLU CB C 13 27.180 0.042 . 1 . . . . 366 E CB . 15796 1 135 . 1 1 12 12 GLU CG C 13 33.741 0.039 . 1 . . . . 366 E CG . 15796 1 136 . 1 1 12 12 GLU N N 15 120.415 0.053 . 1 . . . . 366 E N . 15796 1 137 . 1 1 13 13 GLN H H 1 8.031 0.006 . 1 . . . . 367 Q HN . 15796 1 138 . 1 1 13 13 GLN HA H 1 4.113 0.008 . 1 . . . . 367 Q HA . 15796 1 139 . 1 1 13 13 GLN HB2 H 1 1.912 0.005 . 2 . . . . 367 Q HB1 . 15796 1 140 . 1 1 13 13 GLN HB3 H 1 1.995 0.004 . 2 . . . . 367 Q HB2 . 15796 1 141 . 1 1 13 13 GLN HE21 H 1 6.654 0.004 . 2 . . . . 367 Q HE21 . 15796 1 142 . 1 1 13 13 GLN HE22 H 1 7.343 0.003 . 2 . . . . 367 Q HE22 . 15796 1 143 . 1 1 13 13 GLN HG2 H 1 2.219 0.003 . 2 . . . . 367 Q QG . 15796 1 144 . 1 1 13 13 GLN HG3 H 1 2.219 0.003 . 2 . . . . 367 Q QG . 15796 1 145 . 1 1 13 13 GLN C C 13 173.693 0.006 . 1 . . . . 367 Q C . 15796 1 146 . 1 1 13 13 GLN CA C 13 54.132 0.091 . 1 . . . . 367 Q CA . 15796 1 147 . 1 1 13 13 GLN CB C 13 26.420 0.050 . 1 . . . . 367 Q CB . 15796 1 148 . 1 1 13 13 GLN CG C 13 31.236 0.039 . 1 . . . . 367 Q CG . 15796 1 149 . 1 1 13 13 GLN N N 15 119.721 0.025 . 1 . . . . 367 Q N . 15796 1 150 . 1 1 13 13 GLN NE2 N 15 111.640 0.034 . 1 . . . . 367 Q NE2 . 15796 1 151 . 1 1 14 14 TYR H H 1 8.111 0.013 . 1 . . . . 368 Y HN . 15796 1 152 . 1 1 14 14 TYR HA H 1 4.339 0.003 . 1 . . . . 368 Y HA . 15796 1 153 . 1 1 14 14 TYR HB2 H 1 2.881 0.005 . 2 . . . . 368 Y HB1 . 15796 1 154 . 1 1 14 14 TYR HB3 H 1 2.968 0.006 . 2 . . . . 368 Y HB2 . 15796 1 155 . 1 1 14 14 TYR HD1 H 1 6.995 0.004 . 3 . . . . 368 Y QD . 15796 1 156 . 1 1 14 14 TYR HD2 H 1 6.995 0.004 . 3 . . . . 368 Y QD . 15796 1 157 . 1 1 14 14 TYR HE1 H 1 6.741 0.005 . 3 . . . . 368 Y QE . 15796 1 158 . 1 1 14 14 TYR HE2 H 1 6.741 0.005 . 3 . . . . 368 Y QE . 15796 1 159 . 1 1 14 14 TYR C C 13 173.916 0.023 . 1 . . . . 368 Y C . 15796 1 160 . 1 1 14 14 TYR CA C 13 56.572 0.079 . 1 . . . . 368 Y CA . 15796 1 161 . 1 1 14 14 TYR CB C 13 35.879 0.049 . 1 . . . . 368 Y CB . 15796 1 162 . 1 1 14 14 TYR CD1 C 13 130.451 0.001 . 3 . . . . 368 Y CD . 15796 1 163 . 1 1 14 14 TYR CE1 C 13 115.700 0.001 . 3 . . . . 368 Y CE . 15796 1 164 . 1 1 14 14 TYR N N 15 120.541 0.041 . 1 . . . . 368 Y N . 15796 1 165 . 1 1 15 15 GLU H H 1 8.287 0.007 . 1 . . . . 369 E HN . 15796 1 166 . 1 1 15 15 GLU HA H 1 4.009 0.008 . 1 . . . . 369 E HA . 15796 1 167 . 1 1 15 15 GLU HB2 H 1 1.918 0.006 . 2 . . . . 369 E QB . 15796 1 168 . 1 1 15 15 GLU HB3 H 1 1.918 0.006 . 2 . . . . 369 E QB . 15796 1 169 . 1 1 15 15 GLU HG2 H 1 2.182 0.007 . 2 . . . . 369 E QG . 15796 1 170 . 1 1 15 15 GLU HG3 H 1 2.182 0.007 . 2 . . . . 369 E QG . 15796 1 171 . 1 1 15 15 GLU C C 13 174.448 0.012 . 1 . . . . 369 E C . 15796 1 172 . 1 1 15 15 GLU CA C 13 55.047 0.074 . 1 . . . . 369 E CA . 15796 1 173 . 1 1 15 15 GLU CB C 13 27.226 0.057 . 1 . . . . 369 E CB . 15796 1 174 . 1 1 15 15 GLU CG C 13 33.840 0.076 . 1 . . . . 369 E CG . 15796 1 175 . 1 1 15 15 GLU N N 15 120.398 0.045 . 1 . . . . 369 E N . 15796 1 176 . 1 1 16 16 LEU H H 1 7.785 0.003 . 1 . . . . 370 L HN . 15796 1 177 . 1 1 16 16 LEU HA H 1 4.138 0.005 . 1 . . . . 370 L HA . 15796 1 178 . 1 1 16 16 LEU HB2 H 1 1.413 0.007 . 2 . . . . 370 L HB1 . 15796 1 179 . 1 1 16 16 LEU HB3 H 1 1.504 0.005 . 2 . . . . 370 L HB2 . 15796 1 180 . 1 1 16 16 LEU HD11 H 1 0.738 0.003 . 1 . . . . 370 L MD1 . 15796 1 181 . 1 1 16 16 LEU HD12 H 1 0.738 0.003 . 1 . . . . 370 L MD1 . 15796 1 182 . 1 1 16 16 LEU HD13 H 1 0.738 0.003 . 1 . . . . 370 L MD1 . 15796 1 183 . 1 1 16 16 LEU HD21 H 1 0.799 0.003 . 1 . . . . 370 L MD2 . 15796 1 184 . 1 1 16 16 LEU HD22 H 1 0.799 0.003 . 1 . . . . 370 L MD2 . 15796 1 185 . 1 1 16 16 LEU HD23 H 1 0.799 0.003 . 1 . . . . 370 L MD2 . 15796 1 186 . 1 1 16 16 LEU HG H 1 1.422 0.004 . 1 . . . . 370 L HG . 15796 1 187 . 1 1 16 16 LEU C C 13 175.089 0.021 . 1 . . . . 370 L C . 15796 1 188 . 1 1 16 16 LEU CA C 13 53.425 0.091 . 1 . . . . 370 L CA . 15796 1 189 . 1 1 16 16 LEU CB C 13 39.554 0.051 . 1 . . . . 370 L CB . 15796 1 190 . 1 1 16 16 LEU CD1 C 13 21.184 0.029 . 2 . . . . 370 L CD1 . 15796 1 191 . 1 1 16 16 LEU CD2 C 13 21.999 0.045 . 2 . . . . 370 L CD2 . 15796 1 192 . 1 1 16 16 LEU CG C 13 24.235 0.089 . 1 . . . . 370 L CG . 15796 1 193 . 1 1 16 16 LEU N N 15 121.323 0.041 . 1 . . . . 370 L N . 15796 1 194 . 1 1 17 17 TYR H H 1 8.038 0.009 . 1 . . . . 371 Y HN . 15796 1 195 . 1 1 17 17 TYR HA H 1 4.380 0.006 . 1 . . . . 371 Y HA . 15796 1 196 . 1 1 17 17 TYR HB2 H 1 2.905 0.005 . 2 . . . . 371 Y QB . 15796 1 197 . 1 1 17 17 TYR HB3 H 1 2.905 0.005 . 2 . . . . 371 Y QB . 15796 1 198 . 1 1 17 17 TYR HD1 H 1 7.019 0.007 . 3 . . . . 371 Y QD . 15796 1 199 . 1 1 17 17 TYR HD2 H 1 7.019 0.007 . 3 . . . . 371 Y QD . 15796 1 200 . 1 1 17 17 TYR HE1 H 1 6.738 0.009 . 3 . . . . 371 Y QE . 15796 1 201 . 1 1 17 17 TYR HE2 H 1 6.738 0.009 . 3 . . . . 371 Y QE . 15796 1 202 . 1 1 17 17 TYR C C 13 173.931 0.001 . 1 . . . . 371 Y C . 15796 1 203 . 1 1 17 17 TYR CA C 13 56.143 0.091 . 1 . . . . 371 Y CA . 15796 1 204 . 1 1 17 17 TYR CB C 13 35.501 0.063 . 1 . . . . 371 Y CB . 15796 1 205 . 1 1 17 17 TYR CD1 C 13 130.500 0.001 . 3 . . . . 371 Y CD . 15796 1 206 . 1 1 17 17 TYR CE1 C 13 115.600 0.001 . 3 . . . . 371 Y CE . 15796 1 207 . 1 1 17 17 TYR N N 15 119.465 0.031 . 1 . . . . 371 Y N . 15796 1 208 . 1 1 18 18 CYS H H 1 8.021 0.005 . 1 . . . . 372 C HN . 15796 1 209 . 1 1 18 18 CYS HA H 1 4.236 0.002 . 1 . . . . 372 C HA . 15796 1 210 . 1 1 18 18 CYS HB2 H 1 2.734 0.004 . 2 . . . . 372 C HB1 . 15796 1 211 . 1 1 18 18 CYS HB3 H 1 2.769 0.004 . 2 . . . . 372 C HB2 . 15796 1 212 . 1 1 18 18 CYS C C 13 172.457 0.001 . 1 . . . . 372 C C . 15796 1 213 . 1 1 18 18 CYS CA C 13 56.997 0.084 . 1 . . . . 372 C CA . 15796 1 214 . 1 1 18 18 CYS CB C 13 25.080 0.030 . 1 . . . . 372 C CB . 15796 1 215 . 1 1 18 18 CYS N N 15 119.913 0.058 . 1 . . . . 372 C N . 15796 1 216 . 1 1 19 19 GLU H H 1 8.151 0.005 . 1 . . . . 373 E HN . 15796 1 217 . 1 1 19 19 GLU HA H 1 4.130 0.004 . 1 . . . . 373 E HA . 15796 1 218 . 1 1 19 19 GLU HB2 H 1 2.004 0.005 . 2 . . . . 373 E QB . 15796 1 219 . 1 1 19 19 GLU HB3 H 1 2.004 0.005 . 2 . . . . 373 E QB . 15796 1 220 . 1 1 19 19 GLU HG2 H 1 2.236 0.009 . 2 . . . . 373 E QG . 15796 1 221 . 1 1 19 19 GLU HG3 H 1 2.236 0.009 . 2 . . . . 373 E QG . 15796 1 222 . 1 1 19 19 GLU C C 13 174.151 0.027 . 1 . . . . 373 E C . 15796 1 223 . 1 1 19 19 GLU CA C 13 54.535 0.105 . 1 . . . . 373 E CA . 15796 1 224 . 1 1 19 19 GLU CB C 13 27.244 0.051 . 1 . . . . 373 E CB . 15796 1 225 . 1 1 19 19 GLU CG C 13 33.568 0.046 . 1 . . . . 373 E CG . 15796 1 226 . 1 1 19 19 GLU N N 15 122.431 0.026 . 1 . . . . 373 E N . 15796 1 227 . 1 1 20 20 MET H H 1 8.109 0.008 . 1 . . . . 374 M HN . 15796 1 228 . 1 1 20 20 MET HA H 1 4.352 0.008 . 1 . . . . 374 M HA . 15796 1 229 . 1 1 20 20 MET HB2 H 1 1.951 0.005 . 2 . . . . 374 M HB1 . 15796 1 230 . 1 1 20 20 MET HB3 H 1 2.026 0.005 . 2 . . . . 374 M HB2 . 15796 1 231 . 1 1 20 20 MET HE1 H 1 1.934 0.004 . 1 . . . . 374 M ME . 15796 1 232 . 1 1 20 20 MET HE2 H 1 1.934 0.004 . 1 . . . . 374 M ME . 15796 1 233 . 1 1 20 20 MET HE3 H 1 1.934 0.004 . 1 . . . . 374 M ME . 15796 1 234 . 1 1 20 20 MET HG2 H 1 2.437 0.004 . 2 . . . . 374 M HG1 . 15796 1 235 . 1 1 20 20 MET HG3 H 1 2.525 0.003 . 2 . . . . 374 M HG2 . 15796 1 236 . 1 1 20 20 MET C C 13 174.200 0.001 . 1 . . . . 374 M C . 15796 1 237 . 1 1 20 20 MET CA C 13 53.238 0.071 . 1 . . . . 374 M CA . 15796 1 238 . 1 1 20 20 MET CB C 13 30.237 0.082 . 1 . . . . 374 M CB . 15796 1 239 . 1 1 20 20 MET CE C 13 14.239 0.024 . 1 . . . . 374 M CE . 15796 1 240 . 1 1 20 20 MET CG C 13 29.365 0.066 . 1 . . . . 374 M CG . 15796 1 241 . 1 1 20 20 MET N N 15 119.754 0.045 . 1 . . . . 374 M N . 15796 1 242 . 1 1 21 21 GLY H H 1 8.231 0.004 . 1 . . . . 375 G HN . 15796 1 243 . 1 1 21 21 GLY HA2 H 1 3.861 0.002 . 2 . . . . 375 G HA1 . 15796 1 244 . 1 1 21 21 GLY HA3 H 1 3.960 0.002 . 2 . . . . 375 G HA2 . 15796 1 245 . 1 1 21 21 GLY C C 13 171.928 0.001 . 1 . . . . 375 G C . 15796 1 246 . 1 1 21 21 GLY CA C 13 42.930 0.058 . 1 . . . . 375 G CA . 15796 1 247 . 1 1 21 21 GLY N N 15 109.484 0.046 . 1 . . . . 375 G N . 15796 1 248 . 1 1 22 22 SER HA H 1 4.492 0.004 . 1 . . . . 376 S HA . 15796 1 249 . 1 1 22 22 SER HB2 H 1 3.822 0.004 . 2 . . . . 376 S HB1 . 15796 1 250 . 1 1 22 22 SER HB3 H 1 3.859 0.003 . 2 . . . . 376 S HB2 . 15796 1 251 . 1 1 22 22 SER C C 13 172.206 0.001 . 1 . . . . 376 S C . 15796 1 252 . 1 1 22 22 SER CA C 13 55.570 0.048 . 1 . . . . 376 S CA . 15796 1 253 . 1 1 22 22 SER CB C 13 61.525 0.033 . 1 . . . . 376 S CB . 15796 1 254 . 1 1 23 23 THR H H 1 8.470 0.005 . 1 . . . . 377 T HN . 15796 1 255 . 1 1 23 23 THR HA H 1 4.295 0.005 . 1 . . . . 377 T HA . 15796 1 256 . 1 1 23 23 THR HB H 1 4.172 0.017 . 1 . . . . 377 T HB . 15796 1 257 . 1 1 23 23 THR HG21 H 1 1.102 0.015 . 1 . . . . 377 T HG2 . 15796 1 258 . 1 1 23 23 THR HG22 H 1 1.102 0.015 . 1 . . . . 377 T HG2 . 15796 1 259 . 1 1 23 23 THR HG23 H 1 1.102 0.015 . 1 . . . . 377 T HG2 . 15796 1 260 . 1 1 23 23 THR C C 13 171.811 0.027 . 1 . . . . 377 T C . 15796 1 261 . 1 1 23 23 THR CA C 13 58.937 0.083 . 1 . . . . 377 T CA . 15796 1 262 . 1 1 23 23 THR CB C 13 67.250 0.045 . 1 . . . . 377 T CB . 15796 1 263 . 1 1 23 23 THR CG2 C 13 19.007 0.028 . 1 . . . . 377 T CG2 . 15796 1 264 . 1 1 23 23 THR N N 15 124.043 0.026 . 1 . . . . 377 T N . 15796 1 265 . 1 1 24 24 PHE H H 1 8.374 0.003 . 1 . . . . 378 F HN . 15796 1 266 . 1 1 24 24 PHE HA H 1 4.239 0.004 . 1 . . . . 378 F HA . 15796 1 267 . 1 1 24 24 PHE HB2 H 1 3.019 0.004 . 2 . . . . 378 F HB1 . 15796 1 268 . 1 1 24 24 PHE HB3 H 1 3.011 0.001 . 2 . . . . 378 F HB2 . 15796 1 269 . 1 1 24 24 PHE HD1 H 1 7.130 0.001 . 3 . . . . 378 F QD . 15796 1 270 . 1 1 24 24 PHE HD2 H 1 7.130 0.001 . 3 . . . . 378 F QD . 15796 1 271 . 1 1 24 24 PHE HE1 H 1 7.205 0.001 . 3 . . . . 378 F QE . 15796 1 272 . 1 1 24 24 PHE HE2 H 1 7.205 0.001 . 3 . . . . 378 F QE . 15796 1 273 . 1 1 24 24 PHE C C 13 173.411 0.001 . 1 . . . . 378 F C . 15796 1 274 . 1 1 24 24 PHE CA C 13 56.697 0.082 . 1 . . . . 378 F CA . 15796 1 275 . 1 1 24 24 PHE CB C 13 36.538 0.027 . 1 . . . . 378 F CB . 15796 1 276 . 1 1 24 24 PHE CD1 C 13 129.800 0.001 . 3 . . . . 378 F CD . 15796 1 277 . 1 1 24 24 PHE CE1 C 13 127.056 0.001 . 3 . . . . 378 F CE . 15796 1 278 . 1 1 24 24 PHE N N 15 124.732 0.008 . 1 . . . . 378 F N . 15796 1 279 . 1 1 25 25 GLN H H 1 8.457 0.002 . 1 . . . . 379 Q HN . 15796 1 280 . 1 1 25 25 GLN HA H 1 4.038 0.004 . 1 . . . . 379 Q HA . 15796 1 281 . 1 1 25 25 GLN HB2 H 1 1.895 0.002 . 2 . . . . 379 Q HB1 . 15796 1 282 . 1 1 25 25 GLN HB3 H 1 1.971 0.004 . 2 . . . . 379 Q HB2 . 15796 1 283 . 1 1 25 25 GLN HE21 H 1 6.760 0.007 . 2 . . . . 379 Q HE21 . 15796 1 284 . 1 1 25 25 GLN HE22 H 1 7.647 0.005 . 2 . . . . 379 Q HE22 . 15796 1 285 . 1 1 25 25 GLN HG2 H 1 2.215 0.005 . 2 . . . . 379 Q HG1 . 15796 1 286 . 1 1 25 25 GLN HG3 H 1 2.294 0.006 . 2 . . . . 379 Q HG2 . 15796 1 287 . 1 1 25 25 GLN C C 13 172.431 0.001 . 1 . . . . 379 Q C . 15796 1 288 . 1 1 25 25 GLN CA C 13 54.078 0.079 . 1 . . . . 379 Q CA . 15796 1 289 . 1 1 25 25 GLN CB C 13 26.414 0.044 . 1 . . . . 379 Q CB . 15796 1 290 . 1 1 25 25 GLN CG C 13 30.796 0.046 . 1 . . . . 379 Q CG . 15796 1 291 . 1 1 25 25 GLN N N 15 118.820 0.037 . 1 . . . . 379 Q N . 15796 1 292 . 1 1 25 25 GLN NE2 N 15 112.198 0.052 . 1 . . . . 379 Q NE2 . 15796 1 293 . 1 1 26 26 LEU H H 1 6.985 0.006 . 1 . . . . 380 L HN . 15796 1 294 . 1 1 26 26 LEU HA H 1 4.229 0.007 . 1 . . . . 380 L HA . 15796 1 295 . 1 1 26 26 LEU HB2 H 1 1.152 0.005 . 2 . . . . 380 L HB1 . 15796 1 296 . 1 1 26 26 LEU HB3 H 1 1.436 0.008 . 2 . . . . 380 L HB2 . 15796 1 297 . 1 1 26 26 LEU HD11 H 1 0.556 0.004 . 1 . . . . 380 L MD1 . 15796 1 298 . 1 1 26 26 LEU HD12 H 1 0.556 0.004 . 1 . . . . 380 L MD1 . 15796 1 299 . 1 1 26 26 LEU HD13 H 1 0.556 0.004 . 1 . . . . 380 L MD1 . 15796 1 300 . 1 1 26 26 LEU HD21 H 1 0.624 0.002 . 1 . . . . 380 L MD2 . 15796 1 301 . 1 1 26 26 LEU HD22 H 1 0.624 0.002 . 1 . . . . 380 L MD2 . 15796 1 302 . 1 1 26 26 LEU HD23 H 1 0.624 0.002 . 1 . . . . 380 L MD2 . 15796 1 303 . 1 1 26 26 LEU HG H 1 1.426 0.009 . 1 . . . . 380 L HG . 15796 1 304 . 1 1 26 26 LEU C C 13 173.895 0.002 . 1 . . . . 380 L C . 15796 1 305 . 1 1 26 26 LEU CA C 13 52.123 0.090 . 1 . . . . 380 L CA . 15796 1 306 . 1 1 26 26 LEU CB C 13 40.543 0.050 . 1 . . . . 380 L CB . 15796 1 307 . 1 1 26 26 LEU CD1 C 13 20.331 0.085 . 2 . . . . 380 L CD1 . 15796 1 308 . 1 1 26 26 LEU CD2 C 13 22.362 0.045 . 2 . . . . 380 L CD2 . 15796 1 309 . 1 1 26 26 LEU CG C 13 23.753 0.080 . 1 . . . . 380 L CG . 15796 1 310 . 1 1 26 26 LEU N N 15 119.079 0.053 . 1 . . . . 380 L N . 15796 1 311 . 1 1 27 27 CYS H H 1 8.905 0.006 . 1 . . . . 381 C HN . 15796 1 312 . 1 1 27 27 CYS HA H 1 4.013 0.004 . 1 . . . . 381 C HA . 15796 1 313 . 1 1 27 27 CYS HB2 H 1 2.506 0.005 . 2 . . . . 381 C HB1 . 15796 1 314 . 1 1 27 27 CYS HB3 H 1 3.525 0.002 . 2 . . . . 381 C HB2 . 15796 1 315 . 1 1 27 27 CYS C C 13 174.439 0.001 . 1 . . . . 381 C C . 15796 1 316 . 1 1 27 27 CYS CA C 13 57.847 0.085 . 1 . . . . 381 C CA . 15796 1 317 . 1 1 27 27 CYS CB C 13 28.648 0.075 . 1 . . . . 381 C CB . 15796 1 318 . 1 1 27 27 CYS N N 15 125.151 0.075 . 1 . . . . 381 C N . 15796 1 319 . 1 1 28 28 LYS H H 1 9.351 0.007 . 1 . . . . 382 K HN . 15796 1 320 . 1 1 28 28 LYS HA H 1 4.157 0.004 . 1 . . . . 382 K HA . 15796 1 321 . 1 1 28 28 LYS HB2 H 1 1.905 0.004 . 2 . . . . 382 K HB1 . 15796 1 322 . 1 1 28 28 LYS HB3 H 1 1.980 0.002 . 2 . . . . 382 K HB2 . 15796 1 323 . 1 1 28 28 LYS HD2 H 1 1.525 0.003 . 2 . . . . 382 K QD . 15796 1 324 . 1 1 28 28 LYS HD3 H 1 1.525 0.003 . 2 . . . . 382 K QD . 15796 1 325 . 1 1 28 28 LYS HE2 H 1 2.890 0.010 . 2 . . . . 382 K QE . 15796 1 326 . 1 1 28 28 LYS HE3 H 1 2.890 0.010 . 2 . . . . 382 K QE . 15796 1 327 . 1 1 28 28 LYS HG2 H 1 1.471 0.008 . 2 . . . . 382 K HG1 . 15796 1 328 . 1 1 28 28 LYS HG3 H 1 1.532 0.004 . 2 . . . . 382 K HG2 . 15796 1 329 . 1 1 28 28 LYS C C 13 174.678 0.018 . 1 . . . . 382 K C . 15796 1 330 . 1 1 28 28 LYS CA C 13 54.324 0.082 . 1 . . . . 382 K CA . 15796 1 331 . 1 1 28 28 LYS CB C 13 30.086 0.071 . 1 . . . . 382 K CB . 15796 1 332 . 1 1 28 28 LYS CD C 13 25.897 0.068 . 1 . . . . 382 K CD . 15796 1 333 . 1 1 28 28 LYS CE C 13 39.387 0.040 . 1 . . . . 382 K CE . 15796 1 334 . 1 1 28 28 LYS CG C 13 22.694 0.066 . 1 . . . . 382 K CG . 15796 1 335 . 1 1 28 28 LYS N N 15 128.840 0.034 . 1 . . . . 382 K N . 15796 1 336 . 1 1 29 29 ILE H H 1 9.040 0.004 . 1 . . . . 383 I HN . 15796 1 337 . 1 1 29 29 ILE HA H 1 3.804 0.004 . 1 . . . . 383 I HA . 15796 1 338 . 1 1 29 29 ILE HB H 1 2.433 0.005 . 1 . . . . 383 I HB . 15796 1 339 . 1 1 29 29 ILE HD11 H 1 0.268 0.008 . 1 . . . . 383 I HD1 . 15796 1 340 . 1 1 29 29 ILE HD12 H 1 0.268 0.008 . 1 . . . . 383 I HD1 . 15796 1 341 . 1 1 29 29 ILE HD13 H 1 0.268 0.008 . 1 . . . . 383 I HD1 . 15796 1 342 . 1 1 29 29 ILE HG12 H 1 0.649 0.003 . 2 . . . . 383 I HG11 . 15796 1 343 . 1 1 29 29 ILE HG13 H 1 1.466 0.005 . 2 . . . . 383 I HG12 . 15796 1 344 . 1 1 29 29 ILE HG21 H 1 0.791 0.004 . 1 . . . . 383 I HG2 . 15796 1 345 . 1 1 29 29 ILE HG22 H 1 0.791 0.004 . 1 . . . . 383 I HG2 . 15796 1 346 . 1 1 29 29 ILE HG23 H 1 0.791 0.004 . 1 . . . . 383 I HG2 . 15796 1 347 . 1 1 29 29 ILE C C 13 174.239 0.006 . 1 . . . . 383 I C . 15796 1 348 . 1 1 29 29 ILE CA C 13 62.114 0.076 . 1 . . . . 383 I CA . 15796 1 349 . 1 1 29 29 ILE CB C 13 33.870 0.102 . 1 . . . . 383 I CB . 15796 1 350 . 1 1 29 29 ILE CD1 C 13 10.306 0.058 . 1 . . . . 383 I CD1 . 15796 1 351 . 1 1 29 29 ILE CG1 C 13 25.518 0.045 . 1 . . . . 383 I CG1 . 15796 1 352 . 1 1 29 29 ILE CG2 C 13 15.177 0.082 . 1 . . . . 383 I CG2 . 15796 1 353 . 1 1 29 29 ILE N N 15 122.718 0.051 . 1 . . . . 383 I N . 15796 1 354 . 1 1 30 30 CYS H H 1 7.572 0.003 . 1 . . . . 384 C HN . 15796 1 355 . 1 1 30 30 CYS HA H 1 4.548 0.005 . 1 . . . . 384 C HA . 15796 1 356 . 1 1 30 30 CYS HB2 H 1 2.714 0.002 . 2 . . . . 384 C HB1 . 15796 1 357 . 1 1 30 30 CYS HB3 H 1 2.964 0.005 . 2 . . . . 384 C HB2 . 15796 1 358 . 1 1 30 30 CYS C C 13 172.978 0.010 . 1 . . . . 384 C C . 15796 1 359 . 1 1 30 30 CYS CA C 13 54.957 0.071 . 1 . . . . 384 C CA . 15796 1 360 . 1 1 30 30 CYS CB C 13 29.778 0.059 . 1 . . . . 384 C CB . 15796 1 361 . 1 1 30 30 CYS N N 15 116.356 0.034 . 1 . . . . 384 C N . 15796 1 362 . 1 1 31 31 ALA H H 1 8.205 0.003 . 1 . . . . 385 A HN . 15796 1 363 . 1 1 31 31 ALA HA H 1 4.107 0.004 . 1 . . . . 385 A HA . 15796 1 364 . 1 1 31 31 ALA HB1 H 1 1.379 0.002 . 1 . . . . 385 A MB . 15796 1 365 . 1 1 31 31 ALA HB2 H 1 1.379 0.002 . 1 . . . . 385 A MB . 15796 1 366 . 1 1 31 31 ALA HB3 H 1 1.379 0.002 . 1 . . . . 385 A MB . 15796 1 367 . 1 1 31 31 ALA C C 13 173.139 0.007 . 1 . . . . 385 A C . 15796 1 368 . 1 1 31 31 ALA CA C 13 50.802 0.038 . 1 . . . . 385 A CA . 15796 1 369 . 1 1 31 31 ALA CB C 13 14.634 0.067 . 1 . . . . 385 A CB . 15796 1 370 . 1 1 31 31 ALA N N 15 125.526 0.044 . 1 . . . . 385 A N . 15796 1 371 . 1 1 32 32 GLU H H 1 8.416 0.004 . 1 . . . . 386 E HN . 15796 1 372 . 1 1 32 32 GLU HA H 1 4.467 0.005 . 1 . . . . 386 E HA . 15796 1 373 . 1 1 32 32 GLU HB2 H 1 1.823 0.004 . 2 . . . . 386 E HB1 . 15796 1 374 . 1 1 32 32 GLU HB3 H 1 1.896 0.003 . 2 . . . . 386 E HB2 . 15796 1 375 . 1 1 32 32 GLU HG2 H 1 2.076 0.005 . 2 . . . . 386 E HG1 . 15796 1 376 . 1 1 32 32 GLU HG3 H 1 2.186 0.006 . 2 . . . . 386 E HG2 . 15796 1 377 . 1 1 32 32 GLU C C 13 172.325 0.009 . 1 . . . . 386 E C . 15796 1 378 . 1 1 32 32 GLU CA C 13 55.146 0.069 . 1 . . . . 386 E CA . 15796 1 379 . 1 1 32 32 GLU CB C 13 31.181 0.053 . 1 . . . . 386 E CB . 15796 1 380 . 1 1 32 32 GLU CG C 13 33.326 0.078 . 1 . . . . 386 E CG . 15796 1 381 . 1 1 32 32 GLU N N 15 117.579 0.035 . 1 . . . . 386 E N . 15796 1 382 . 1 1 33 33 ASN H H 1 7.872 0.004 . 1 . . . . 387 N HN . 15796 1 383 . 1 1 33 33 ASN HA H 1 4.900 0.005 . 1 . . . . 387 N HA . 15796 1 384 . 1 1 33 33 ASN HB2 H 1 2.843 0.003 . 2 . . . . 387 N HB1 . 15796 1 385 . 1 1 33 33 ASN HB3 H 1 3.165 0.005 . 2 . . . . 387 N HB2 . 15796 1 386 . 1 1 33 33 ASN HD21 H 1 7.171 0.003 . 2 . . . . 387 N HD21 . 15796 1 387 . 1 1 33 33 ASN HD22 H 1 8.333 0.005 . 2 . . . . 387 N HD22 . 15796 1 388 . 1 1 33 33 ASN C C 13 171.355 0.003 . 1 . . . . 387 N C . 15796 1 389 . 1 1 33 33 ASN CA C 13 49.320 0.056 . 1 . . . . 387 N CA . 15796 1 390 . 1 1 33 33 ASN CB C 13 38.457 0.047 . 1 . . . . 387 N CB . 15796 1 391 . 1 1 33 33 ASN N N 15 120.399 0.042 . 1 . . . . 387 N N . 15796 1 392 . 1 1 33 33 ASN ND2 N 15 119.170 0.053 . 1 . . . . 387 N ND2 . 15796 1 393 . 1 1 34 34 ASP H H 1 8.565 0.003 . 1 . . . . 388 D HN . 15796 1 394 . 1 1 34 34 ASP HA H 1 4.679 0.007 . 1 . . . . 388 D HA . 15796 1 395 . 1 1 34 34 ASP HB2 H 1 2.504 0.004 . 2 . . . . 388 D HB1 . 15796 1 396 . 1 1 34 34 ASP HB3 H 1 2.386 0.004 . 2 . . . . 388 D HB2 . 15796 1 397 . 1 1 34 34 ASP C C 13 174.243 0.002 . 1 . . . . 388 D C . 15796 1 398 . 1 1 34 34 ASP CA C 13 51.809 0.075 . 1 . . . . 388 D CA . 15796 1 399 . 1 1 34 34 ASP CB C 13 38.007 0.063 . 1 . . . . 388 D CB . 15796 1 400 . 1 1 34 34 ASP N N 15 120.661 0.050 . 1 . . . . 388 D N . 15796 1 401 . 1 1 35 35 LYS H H 1 8.544 0.010 . 1 . . . . 389 K HN . 15796 1 402 . 1 1 35 35 LYS HA H 1 3.411 0.007 . 1 . . . . 389 K HA . 15796 1 403 . 1 1 35 35 LYS HB2 H 1 1.414 0.005 . 2 . . . . 389 K HB1 . 15796 1 404 . 1 1 35 35 LYS HB3 H 1 1.524 0.007 . 2 . . . . 389 K HB2 . 15796 1 405 . 1 1 35 35 LYS HE2 H 1 2.864 0.004 . 2 . . . . 389 K QE . 15796 1 406 . 1 1 35 35 LYS HE3 H 1 2.864 0.004 . 2 . . . . 389 K QE . 15796 1 407 . 1 1 35 35 LYS HG2 H 1 1.431 0.002 . 2 . . . . 389 K QG . 15796 1 408 . 1 1 35 35 LYS HG3 H 1 1.431 0.002 . 2 . . . . 389 K QG . 15796 1 409 . 1 1 35 35 LYS C C 13 172.938 0.018 . 1 . . . . 389 K C . 15796 1 410 . 1 1 35 35 LYS CA C 13 54.973 0.070 . 1 . . . . 389 K CA . 15796 1 411 . 1 1 35 35 LYS CB C 13 30.617 0.149 . 1 . . . . 389 K CB . 15796 1 412 . 1 1 35 35 LYS CD C 13 25.913 0.001 . 1 . . . . 389 K CD . 15796 1 413 . 1 1 35 35 LYS CE C 13 39.194 0.042 . 1 . . . . 389 K CE . 15796 1 414 . 1 1 35 35 LYS CG C 13 22.127 0.098 . 1 . . . . 389 K CG . 15796 1 415 . 1 1 35 35 LYS N N 15 119.199 0.039 . 1 . . . . 389 K N . 15796 1 416 . 1 1 36 36 ASP H H 1 8.327 0.005 . 1 . . . . 390 D HN . 15796 1 417 . 1 1 36 36 ASP HA H 1 4.724 0.004 . 1 . . . . 390 D HA . 15796 1 418 . 1 1 36 36 ASP HB2 H 1 2.530 0.005 . 2 . . . . 390 D HB1 . 15796 1 419 . 1 1 36 36 ASP HB3 H 1 3.137 0.007 . 2 . . . . 390 D HB2 . 15796 1 420 . 1 1 36 36 ASP C C 13 172.860 0.001 . 1 . . . . 390 D C . 15796 1 421 . 1 1 36 36 ASP CA C 13 51.609 0.077 . 1 . . . . 390 D CA . 15796 1 422 . 1 1 36 36 ASP CB C 13 39.018 0.053 . 1 . . . . 390 D CB . 15796 1 423 . 1 1 36 36 ASP N N 15 119.134 0.046 . 1 . . . . 390 D N . 15796 1 424 . 1 1 37 37 VAL H H 1 8.544 0.002 . 1 . . . . 391 V HN . 15796 1 425 . 1 1 37 37 VAL HA H 1 4.877 0.003 . 1 . . . . 391 V HA . 15796 1 426 . 1 1 37 37 VAL HB H 1 1.939 0.004 . 1 . . . . 391 V HB . 15796 1 427 . 1 1 37 37 VAL HG11 H 1 0.668 0.006 . 2 . . . . 391 V MG1 . 15796 1 428 . 1 1 37 37 VAL HG12 H 1 0.668 0.006 . 2 . . . . 391 V MG1 . 15796 1 429 . 1 1 37 37 VAL HG13 H 1 0.668 0.006 . 2 . . . . 391 V MG1 . 15796 1 430 . 1 1 37 37 VAL HG21 H 1 0.801 0.004 . 2 . . . . 391 V MG2 . 15796 1 431 . 1 1 37 37 VAL HG22 H 1 0.801 0.004 . 2 . . . . 391 V MG2 . 15796 1 432 . 1 1 37 37 VAL HG23 H 1 0.801 0.004 . 2 . . . . 391 V MG2 . 15796 1 433 . 1 1 37 37 VAL C C 13 167.519 0.012 . 1 . . . . 391 V C . 15796 1 434 . 1 1 37 37 VAL CA C 13 58.259 0.074 . 1 . . . . 391 V CA . 15796 1 435 . 1 1 37 37 VAL CB C 13 32.277 0.093 . 1 . . . . 391 V CB . 15796 1 436 . 1 1 37 37 VAL CG1 C 13 17.351 0.058 . 2 . . . . 391 V CG1 . 15796 1 437 . 1 1 37 37 VAL CG2 C 13 19.697 0.057 . 2 . . . . 391 V CG2 . 15796 1 438 . 1 1 37 37 VAL N N 15 121.970 0.032 . 1 . . . . 391 V N . 15796 1 439 . 1 1 38 38 LYS H H 1 8.621 0.004 . 1 . . . . 392 K HN . 15796 1 440 . 1 1 38 38 LYS HA H 1 4.991 0.006 . 1 . . . . 392 K HA . 15796 1 441 . 1 1 38 38 LYS HB2 H 1 1.314 0.005 . 2 . . . . 392 K HB1 . 15796 1 442 . 1 1 38 38 LYS HB3 H 1 1.656 0.003 . 2 . . . . 392 K HB2 . 15796 1 443 . 1 1 38 38 LYS HD2 H 1 1.444 0.004 . 2 . . . . 392 K HD1 . 15796 1 444 . 1 1 38 38 LYS HD3 H 1 1.521 0.004 . 2 . . . . 392 K HD2 . 15796 1 445 . 1 1 38 38 LYS HE2 H 1 2.736 0.002 . 2 . . . . 392 K QE . 15796 1 446 . 1 1 38 38 LYS HE3 H 1 2.736 0.002 . 2 . . . . 392 K QE . 15796 1 447 . 1 1 38 38 LYS HG2 H 1 0.963 0.005 . 2 . . . . 392 K HG1 . 15796 1 448 . 1 1 38 38 LYS HG3 H 1 1.120 0.006 . 2 . . . . 392 K HG2 . 15796 1 449 . 1 1 38 38 LYS C C 13 172.681 0.008 . 1 . . . . 392 K C . 15796 1 450 . 1 1 38 38 LYS CA C 13 51.123 0.084 . 1 . . . . 392 K CA . 15796 1 451 . 1 1 38 38 LYS CB C 13 33.697 0.076 . 1 . . . . 392 K CB . 15796 1 452 . 1 1 38 38 LYS CD C 13 27.029 0.070 . 1 . . . . 392 K CD . 15796 1 453 . 1 1 38 38 LYS CE C 13 39.270 0.026 . 1 . . . . 392 K CE . 15796 1 454 . 1 1 38 38 LYS CG C 13 21.747 0.073 . 1 . . . . 392 K CG . 15796 1 455 . 1 1 38 38 LYS N N 15 126.381 0.030 . 1 . . . . 392 K N . 15796 1 456 . 1 1 39 39 ILE H H 1 8.723 0.005 . 1 . . . . 393 I HN . 15796 1 457 . 1 1 39 39 ILE HA H 1 4.239 0.003 . 1 . . . . 393 I HA . 15796 1 458 . 1 1 39 39 ILE HB H 1 2.169 0.002 . 1 . . . . 393 I HB . 15796 1 459 . 1 1 39 39 ILE HD11 H 1 0.958 0.006 . 1 . . . . 393 I HD1 . 15796 1 460 . 1 1 39 39 ILE HD12 H 1 0.958 0.006 . 1 . . . . 393 I HD1 . 15796 1 461 . 1 1 39 39 ILE HD13 H 1 0.958 0.006 . 1 . . . . 393 I HD1 . 15796 1 462 . 1 1 39 39 ILE HG12 H 1 1.320 0.003 . 2 . . . . 393 I HG11 . 15796 1 463 . 1 1 39 39 ILE HG13 H 1 1.628 0.002 . 2 . . . . 393 I HG12 . 15796 1 464 . 1 1 39 39 ILE HG21 H 1 1.015 0.005 . 1 . . . . 393 I HG2 . 15796 1 465 . 1 1 39 39 ILE HG22 H 1 1.015 0.005 . 1 . . . . 393 I HG2 . 15796 1 466 . 1 1 39 39 ILE HG23 H 1 1.015 0.005 . 1 . . . . 393 I HG2 . 15796 1 467 . 1 1 39 39 ILE C C 13 172.642 0.005 . 1 . . . . 393 I C . 15796 1 468 . 1 1 39 39 ILE CA C 13 57.768 0.071 . 1 . . . . 393 I CA . 15796 1 469 . 1 1 39 39 ILE CB C 13 35.691 0.056 . 1 . . . . 393 I CB . 15796 1 470 . 1 1 39 39 ILE CD1 C 13 9.995 0.063 . 1 . . . . 393 I CD1 . 15796 1 471 . 1 1 39 39 ILE CG1 C 13 25.694 0.057 . 1 . . . . 393 I CG1 . 15796 1 472 . 1 1 39 39 ILE CG2 C 13 18.942 0.080 . 1 . . . . 393 I CG2 . 15796 1 473 . 1 1 39 39 ILE N N 15 126.398 0.036 . 1 . . . . 393 I N . 15796 1 474 . 1 1 40 40 GLU H H 1 8.506 0.003 . 1 . . . . 394 E HN . 15796 1 475 . 1 1 40 40 GLU HA H 1 4.753 0.005 . 1 . . . . 394 E HA . 15796 1 476 . 1 1 40 40 GLU HB2 H 1 1.490 0.003 . 2 . . . . 394 E HB1 . 15796 1 477 . 1 1 40 40 GLU HB3 H 1 1.763 0.007 . 2 . . . . 394 E HB2 . 15796 1 478 . 1 1 40 40 GLU HG2 H 1 1.858 0.003 . 2 . . . . 394 E HG1 . 15796 1 479 . 1 1 40 40 GLU HG3 H 1 2.062 0.005 . 2 . . . . 394 E HG2 . 15796 1 480 . 1 1 40 40 GLU C C 13 173.596 0.001 . 1 . . . . 394 E C . 15796 1 481 . 1 1 40 40 GLU CA C 13 49.793 0.065 . 1 . . . . 394 E CA . 15796 1 482 . 1 1 40 40 GLU CB C 13 28.210 0.063 . 1 . . . . 394 E CB . 15796 1 483 . 1 1 40 40 GLU CG C 13 31.851 0.079 . 1 . . . . 394 E CG . 15796 1 484 . 1 1 40 40 GLU N N 15 124.864 0.025 . 1 . . . . 394 E N . 15796 1 485 . 1 1 41 41 PRO HA H 1 4.864 0.005 . 1 . . . . 395 P HA . 15796 1 486 . 1 1 41 41 PRO HB2 H 1 2.160 0.007 . 2 . . . . 395 P HB1 . 15796 1 487 . 1 1 41 41 PRO HB3 H 1 2.218 0.003 . 2 . . . . 395 P HB2 . 15796 1 488 . 1 1 41 41 PRO HD2 H 1 3.381 0.006 . 2 . . . . 395 P HD1 . 15796 1 489 . 1 1 41 41 PRO HD3 H 1 4.023 0.002 . 2 . . . . 395 P HD2 . 15796 1 490 . 1 1 41 41 PRO HG2 H 1 1.852 0.004 . 2 . . . . 395 P HG1 . 15796 1 491 . 1 1 41 41 PRO HG3 H 1 2.011 0.003 . 2 . . . . 395 P HG2 . 15796 1 492 . 1 1 41 41 PRO C C 13 175.073 0.001 . 1 . . . . 395 P C . 15796 1 493 . 1 1 41 41 PRO CA C 13 61.111 0.061 . 1 . . . . 395 P CA . 15796 1 494 . 1 1 41 41 PRO CB C 13 32.275 0.075 . 1 . . . . 395 P CB . 15796 1 495 . 1 1 41 41 PRO CD C 13 47.673 0.071 . 1 . . . . 395 P CD . 15796 1 496 . 1 1 41 41 PRO CG C 13 22.022 0.066 . 1 . . . . 395 P CG . 15796 1 497 . 1 1 42 42 CYS H H 1 7.828 0.003 . 1 . . . . 396 C HN . 15796 1 498 . 1 1 42 42 CYS HA H 1 4.208 0.003 . 1 . . . . 396 C HA . 15796 1 499 . 1 1 42 42 CYS HB2 H 1 2.518 0.002 . 2 . . . . 396 C HB1 . 15796 1 500 . 1 1 42 42 CYS HB3 H 1 2.888 0.003 . 2 . . . . 396 C HB2 . 15796 1 501 . 1 1 42 42 CYS C C 13 173.877 0.005 . 1 . . . . 396 C C . 15796 1 502 . 1 1 42 42 CYS CA C 13 58.021 0.058 . 1 . . . . 396 C CA . 15796 1 503 . 1 1 42 42 CYS CB C 13 28.242 0.069 . 1 . . . . 396 C CB . 15796 1 504 . 1 1 42 42 CYS N N 15 122.434 0.036 . 1 . . . . 396 C N . 15796 1 505 . 1 1 43 43 GLY H H 1 8.679 0.003 . 1 . . . . 397 G HN . 15796 1 506 . 1 1 43 43 GLY HA2 H 1 3.507 0.003 . 2 . . . . 397 G HA1 . 15796 1 507 . 1 1 43 43 GLY HA3 H 1 3.914 0.004 . 2 . . . . 397 G HA2 . 15796 1 508 . 1 1 43 43 GLY C C 13 171.981 0.003 . 1 . . . . 397 G C . 15796 1 509 . 1 1 43 43 GLY CA C 13 43.347 0.074 . 1 . . . . 397 G CA . 15796 1 510 . 1 1 43 43 GLY N N 15 112.123 0.029 . 1 . . . . 397 G N . 15796 1 511 . 1 1 44 44 HIS H H 1 8.329 0.003 . 1 . . . . 398 H HN . 15796 1 512 . 1 1 44 44 HIS HA H 1 4.339 0.003 . 1 . . . . 398 H HA . 15796 1 513 . 1 1 44 44 HIS HB2 H 1 2.813 0.003 . 2 . . . . 398 H HB1 . 15796 1 514 . 1 1 44 44 HIS HB3 H 1 3.262 0.005 . 2 . . . . 398 H HB2 . 15796 1 515 . 1 1 44 44 HIS HD2 H 1 7.033 0.005 . 1 . . . . 398 H HD2 . 15796 1 516 . 1 1 44 44 HIS HE1 H 1 7.784 0.003 . 1 . . . . 398 H HE1 . 15796 1 517 . 1 1 44 44 HIS C C 13 170.742 0.007 . 1 . . . . 398 H C . 15796 1 518 . 1 1 44 44 HIS CA C 13 58.368 0.088 . 1 . . . . 398 H CA . 15796 1 519 . 1 1 44 44 HIS CB C 13 28.434 0.074 . 1 . . . . 398 H CB . 15796 1 520 . 1 1 44 44 HIS CD2 C 13 116.189 0.001 . 1 . . . . 398 H CD2 . 15796 1 521 . 1 1 44 44 HIS CE1 C 13 135.369 0.001 . 1 . . . . 398 H CE1 . 15796 1 522 . 1 1 44 44 HIS N N 15 121.393 0.029 . 1 . . . . 398 H N . 15796 1 523 . 1 1 45 45 LEU H H 1 8.241 0.007 . 1 . . . . 399 L HN . 15796 1 524 . 1 1 45 45 LEU HA H 1 5.570 0.004 . 1 . . . . 399 L HA . 15796 1 525 . 1 1 45 45 LEU HB2 H 1 1.199 0.009 . 2 . . . . 399 L HB1 . 15796 1 526 . 1 1 45 45 LEU HB3 H 1 1.736 0.005 . 2 . . . . 399 L HB2 . 15796 1 527 . 1 1 45 45 LEU HD11 H 1 0.802 0.004 . 1 . . . . 399 L MD1 . 15796 1 528 . 1 1 45 45 LEU HD12 H 1 0.802 0.004 . 1 . . . . 399 L MD1 . 15796 1 529 . 1 1 45 45 LEU HD13 H 1 0.802 0.004 . 1 . . . . 399 L MD1 . 15796 1 530 . 1 1 45 45 LEU HD21 H 1 0.876 0.003 . 1 . . . . 399 L MD2 . 15796 1 531 . 1 1 45 45 LEU HD22 H 1 0.876 0.003 . 1 . . . . 399 L MD2 . 15796 1 532 . 1 1 45 45 LEU HD23 H 1 0.876 0.003 . 1 . . . . 399 L MD2 . 15796 1 533 . 1 1 45 45 LEU HG H 1 1.841 0.004 . 1 . . . . 399 L HG . 15796 1 534 . 1 1 45 45 LEU C C 13 174.464 0.008 . 1 . . . . 399 L C . 15796 1 535 . 1 1 45 45 LEU CA C 13 50.729 0.070 . 1 . . . . 399 L CA . 15796 1 536 . 1 1 45 45 LEU CB C 13 43.574 0.058 . 1 . . . . 399 L CB . 15796 1 537 . 1 1 45 45 LEU CD1 C 13 21.749 0.080 . 2 . . . . 399 L CD1 . 15796 1 538 . 1 1 45 45 LEU CD2 C 13 23.315 0.048 . 2 . . . . 399 L CD2 . 15796 1 539 . 1 1 45 45 LEU CG C 13 24.552 0.084 . 1 . . . . 399 L CG . 15796 1 540 . 1 1 45 45 LEU N N 15 118.469 0.038 . 1 . . . . 399 L N . 15796 1 541 . 1 1 46 46 MET H H 1 8.707 0.004 . 1 . . . . 400 M HN . 15796 1 542 . 1 1 46 46 MET HA H 1 4.842 0.006 . 1 . . . . 400 M HA . 15796 1 543 . 1 1 46 46 MET HB2 H 1 2.596 0.008 . 2 . . . . 400 M QB . 15796 1 544 . 1 1 46 46 MET HB3 H 1 2.596 0.008 . 2 . . . . 400 M QB . 15796 1 545 . 1 1 46 46 MET HE1 H 1 1.792 0.002 . 1 . . . . 400 M ME . 15796 1 546 . 1 1 46 46 MET HE2 H 1 1.792 0.002 . 1 . . . . 400 M ME . 15796 1 547 . 1 1 46 46 MET HE3 H 1 1.792 0.002 . 1 . . . . 400 M ME . 15796 1 548 . 1 1 46 46 MET HG2 H 1 2.087 0.003 . 2 . . . . 400 M HG1 . 15796 1 549 . 1 1 46 46 MET HG3 H 1 2.500 0.004 . 2 . . . . 400 M HG2 . 15796 1 550 . 1 1 46 46 MET C C 13 170.736 0.014 . 1 . . . . 400 M C . 15796 1 551 . 1 1 46 46 MET CA C 13 52.804 0.089 . 1 . . . . 400 M CA . 15796 1 552 . 1 1 46 46 MET CB C 13 31.945 0.086 . 1 . . . . 400 M CB . 15796 1 553 . 1 1 46 46 MET CE C 13 14.836 0.025 . 1 . . . . 400 M CE . 15796 1 554 . 1 1 46 46 MET CG C 13 26.065 0.079 . 1 . . . . 400 M CG . 15796 1 555 . 1 1 46 46 MET N N 15 114.897 0.048 . 1 . . . . 400 M N . 15796 1 556 . 1 1 47 47 CYS H H 1 9.436 0.005 . 1 . . . . 401 C HN . 15796 1 557 . 1 1 47 47 CYS HA H 1 5.629 0.007 . 1 . . . . 401 C HA . 15796 1 558 . 1 1 47 47 CYS HB2 H 1 2.724 0.004 . 2 . . . . 401 C HB1 . 15796 1 559 . 1 1 47 47 CYS HB3 H 1 3.507 0.006 . 2 . . . . 401 C HB2 . 15796 1 560 . 1 1 47 47 CYS C C 13 173.909 0.007 . 1 . . . . 401 C C . 15796 1 561 . 1 1 47 47 CYS CA C 13 54.325 0.083 . 1 . . . . 401 C CA . 15796 1 562 . 1 1 47 47 CYS CB C 13 30.725 0.058 . 1 . . . . 401 C CB . 15796 1 563 . 1 1 47 47 CYS N N 15 119.575 0.031 . 1 . . . . 401 C N . 15796 1 564 . 1 1 48 48 THR H H 1 9.842 0.005 . 1 . . . . 402 T HN . 15796 1 565 . 1 1 48 48 THR HA H 1 3.768 0.003 . 1 . . . . 402 T HA . 15796 1 566 . 1 1 48 48 THR HB H 1 4.223 0.004 . 1 . . . . 402 T HB . 15796 1 567 . 1 1 48 48 THR HG21 H 1 1.176 0.003 . 1 . . . . 402 T HG2 . 15796 1 568 . 1 1 48 48 THR HG22 H 1 1.176 0.003 . 1 . . . . 402 T HG2 . 15796 1 569 . 1 1 48 48 THR HG23 H 1 1.176 0.003 . 1 . . . . 402 T HG2 . 15796 1 570 . 1 1 48 48 THR C C 13 174.333 0.014 . 1 . . . . 402 T C . 15796 1 571 . 1 1 48 48 THR CA C 13 64.516 0.081 . 1 . . . . 402 T CA . 15796 1 572 . 1 1 48 48 THR CB C 13 66.288 0.060 . 1 . . . . 402 T CB . 15796 1 573 . 1 1 48 48 THR CG2 C 13 18.891 0.064 . 1 . . . . 402 T CG2 . 15796 1 574 . 1 1 48 48 THR N N 15 119.945 0.031 . 1 . . . . 402 T N . 15796 1 575 . 1 1 49 49 SER H H 1 8.355 0.002 . 1 . . . . 403 S HN . 15796 1 576 . 1 1 49 49 SER HA H 1 4.222 0.004 . 1 . . . . 403 S HA . 15796 1 577 . 1 1 49 49 SER HB2 H 1 4.043 0.005 . 2 . . . . 403 S HB1 . 15796 1 578 . 1 1 49 49 SER HB3 H 1 4.119 0.004 . 2 . . . . 403 S HB2 . 15796 1 579 . 1 1 49 49 SER C C 13 175.059 0.001 . 1 . . . . 403 S C . 15796 1 580 . 1 1 49 49 SER CA C 13 59.828 0.043 . 1 . . . . 403 S CA . 15796 1 581 . 1 1 49 49 SER CB C 13 59.717 0.037 . 1 . . . . 403 S CB . 15796 1 582 . 1 1 49 49 SER N N 15 120.468 0.031 . 1 . . . . 403 S N . 15796 1 583 . 1 1 50 50 CYS H H 1 9.464 0.005 . 1 . . . . 404 C HN . 15796 1 584 . 1 1 50 50 CYS HA H 1 3.922 0.004 . 1 . . . . 404 C HA . 15796 1 585 . 1 1 50 50 CYS HB2 H 1 2.626 0.004 . 2 . . . . 404 C HB1 . 15796 1 586 . 1 1 50 50 CYS HB3 H 1 2.987 0.004 . 2 . . . . 404 C HB2 . 15796 1 587 . 1 1 50 50 CYS C C 13 176.081 0.004 . 1 . . . . 404 C C . 15796 1 588 . 1 1 50 50 CYS CA C 13 63.076 0.080 . 1 . . . . 404 C CA . 15796 1 589 . 1 1 50 50 CYS CB C 13 26.078 0.101 . 1 . . . . 404 C CB . 15796 1 590 . 1 1 50 50 CYS N N 15 126.744 0.027 . 1 . . . . 404 C N . 15796 1 591 . 1 1 51 51 LEU H H 1 7.948 0.004 . 1 . . . . 405 L HN . 15796 1 592 . 1 1 51 51 LEU HA H 1 4.064 0.003 . 1 . . . . 405 L HA . 15796 1 593 . 1 1 51 51 LEU HB2 H 1 1.419 0.004 . 2 . . . . 405 L HB1 . 15796 1 594 . 1 1 51 51 LEU HB3 H 1 2.015 0.003 . 2 . . . . 405 L HB2 . 15796 1 595 . 1 1 51 51 LEU HD11 H 1 0.936 0.010 . 1 . . . . 405 L MD1 . 15796 1 596 . 1 1 51 51 LEU HD12 H 1 0.936 0.010 . 1 . . . . 405 L MD1 . 15796 1 597 . 1 1 51 51 LEU HD13 H 1 0.936 0.010 . 1 . . . . 405 L MD1 . 15796 1 598 . 1 1 51 51 LEU HD21 H 1 0.887 0.003 . 1 . . . . 405 L MD2 . 15796 1 599 . 1 1 51 51 LEU HD22 H 1 0.887 0.003 . 1 . . . . 405 L MD2 . 15796 1 600 . 1 1 51 51 LEU HD23 H 1 0.887 0.003 . 1 . . . . 405 L MD2 . 15796 1 601 . 1 1 51 51 LEU HG H 1 1.550 0.003 . 1 . . . . 405 L HG . 15796 1 602 . 1 1 51 51 LEU C C 13 175.495 0.011 . 1 . . . . 405 L C . 15796 1 603 . 1 1 51 51 LEU CA C 13 55.914 0.064 . 1 . . . . 405 L CA . 15796 1 604 . 1 1 51 51 LEU CB C 13 38.662 0.071 . 1 . . . . 405 L CB . 15796 1 605 . 1 1 51 51 LEU CD1 C 13 19.515 0.070 . 2 . . . . 405 L CD1 . 15796 1 606 . 1 1 51 51 LEU CD2 C 13 23.738 0.062 . 2 . . . . 405 L CD2 . 15796 1 607 . 1 1 51 51 LEU N N 15 121.951 0.032 . 1 . . . . 405 L N . 15796 1 608 . 1 1 52 52 THR H H 1 8.786 0.005 . 1 . . . . 406 T HN . 15796 1 609 . 1 1 52 52 THR HA H 1 4.024 0.003 . 1 . . . . 406 T HA . 15796 1 610 . 1 1 52 52 THR HB H 1 4.277 0.004 . 1 . . . . 406 T HB . 15796 1 611 . 1 1 52 52 THR HG21 H 1 1.217 0.003 . 1 . . . . 406 T HG2 . 15796 1 612 . 1 1 52 52 THR HG22 H 1 1.217 0.003 . 1 . . . . 406 T HG2 . 15796 1 613 . 1 1 52 52 THR HG23 H 1 1.217 0.003 . 1 . . . . 406 T HG2 . 15796 1 614 . 1 1 52 52 THR C C 13 174.139 0.006 . 1 . . . . 406 T C . 15796 1 615 . 1 1 52 52 THR CA C 13 64.017 0.074 . 1 . . . . 406 T CA . 15796 1 616 . 1 1 52 52 THR CB C 13 66.115 0.047 . 1 . . . . 406 T CB . 15796 1 617 . 1 1 52 52 THR CG2 C 13 18.837 0.058 . 1 . . . . 406 T CG2 . 15796 1 618 . 1 1 52 52 THR N N 15 115.258 0.033 . 1 . . . . 406 T N . 15796 1 619 . 1 1 53 53 SER H H 1 8.115 0.003 . 1 . . . . 407 S HN . 15796 1 620 . 1 1 53 53 SER HA H 1 4.204 0.004 . 1 . . . . 407 S HA . 15796 1 621 . 1 1 53 53 SER HB2 H 1 3.931 0.005 . 2 . . . . 407 S HB1 . 15796 1 622 . 1 1 53 53 SER HB3 H 1 3.964 0.008 . 2 . . . . 407 S HB2 . 15796 1 623 . 1 1 53 53 SER C C 13 174.456 0.010 . 1 . . . . 407 S C . 15796 1 624 . 1 1 53 53 SER CA C 13 59.090 0.061 . 1 . . . . 407 S CA . 15796 1 625 . 1 1 53 53 SER CB C 13 60.146 0.050 . 1 . . . . 407 S CB . 15796 1 626 . 1 1 53 53 SER N N 15 116.852 0.060 . 1 . . . . 407 S N . 15796 1 627 . 1 1 54 54 TRP H H 1 8.123 0.005 . 1 . . . . 408 W HN . 15796 1 628 . 1 1 54 54 TRP HA H 1 4.371 0.005 . 1 . . . . 408 W HA . 15796 1 629 . 1 1 54 54 TRP HB2 H 1 3.311 0.006 . 2 . . . . 408 W HB1 . 15796 1 630 . 1 1 54 54 TRP HB3 H 1 3.500 0.004 . 2 . . . . 408 W HB2 . 15796 1 631 . 1 1 54 54 TRP HD1 H 1 6.934 0.005 . 1 . . . . 408 W HD1 . 15796 1 632 . 1 1 54 54 TRP HE1 H 1 9.438 0.010 . 1 . . . . 408 W HE1 . 15796 1 633 . 1 1 54 54 TRP HE3 H 1 7.542 0.005 . 1 . . . . 408 W HE3 . 15796 1 634 . 1 1 54 54 TRP HH2 H 1 7.067 0.007 . 1 . . . . 408 W HH2 . 15796 1 635 . 1 1 54 54 TRP HZ2 H 1 7.260 0.003 . 1 . . . . 408 W HZ2 . 15796 1 636 . 1 1 54 54 TRP HZ3 H 1 7.037 0.004 . 1 . . . . 408 W HZ3 . 15796 1 637 . 1 1 54 54 TRP C C 13 175.981 0.019 . 1 . . . . 408 W C . 15796 1 638 . 1 1 54 54 TRP CA C 13 57.323 0.067 . 1 . . . . 408 W CA . 15796 1 639 . 1 1 54 54 TRP CB C 13 26.812 0.066 . 1 . . . . 408 W CB . 15796 1 640 . 1 1 54 54 TRP CD1 C 13 124.374 0.001 . 1 . . . . 408 W CD1 . 15796 1 641 . 1 1 54 54 TRP CE3 C 13 118.101 0.001 . 1 . . . . 408 W CE3 . 15796 1 642 . 1 1 54 54 TRP CH2 C 13 121.982 0.001 . 1 . . . . 408 W CH2 . 15796 1 643 . 1 1 54 54 TRP CZ2 C 13 112.071 0.001 . 1 . . . . 408 W CZ2 . 15796 1 644 . 1 1 54 54 TRP CZ3 C 13 119.473 0.001 . 1 . . . . 408 W CZ3 . 15796 1 645 . 1 1 54 54 TRP N N 15 123.556 0.031 . 1 . . . . 408 W N . 15796 1 646 . 1 1 54 54 TRP NE1 N 15 129.448 0.028 . 1 . . . . 408 W NE1 . 15796 1 647 . 1 1 55 55 GLN H H 1 8.502 0.002 . 1 . . . . 409 Q HN . 15796 1 648 . 1 1 55 55 GLN HA H 1 3.999 0.004 . 1 . . . . 409 Q HA . 15796 1 649 . 1 1 55 55 GLN HB2 H 1 2.028 0.012 . 2 . . . . 409 Q HB1 . 15796 1 650 . 1 1 55 55 GLN HB3 H 1 2.317 0.003 . 2 . . . . 409 Q HB2 . 15796 1 651 . 1 1 55 55 GLN HE21 H 1 6.799 0.003 . 2 . . . . 409 Q HE21 . 15796 1 652 . 1 1 55 55 GLN HE22 H 1 7.140 0.003 . 2 . . . . 409 Q HE22 . 15796 1 653 . 1 1 55 55 GLN HG2 H 1 2.424 0.002 . 2 . . . . 409 Q HG1 . 15796 1 654 . 1 1 55 55 GLN HG3 H 1 2.724 0.004 . 2 . . . . 409 Q HG2 . 15796 1 655 . 1 1 55 55 GLN C C 13 177.300 0.012 . 1 . . . . 409 Q C . 15796 1 656 . 1 1 55 55 GLN CA C 13 56.484 0.081 . 1 . . . . 409 Q CA . 15796 1 657 . 1 1 55 55 GLN CB C 13 26.190 0.067 . 1 . . . . 409 Q CB . 15796 1 658 . 1 1 55 55 GLN CG C 13 32.249 0.065 . 1 . . . . 409 Q CG . 15796 1 659 . 1 1 55 55 GLN N N 15 118.044 0.032 . 1 . . . . 409 Q N . 15796 1 660 . 1 1 55 55 GLN NE2 N 15 109.838 0.035 . 1 . . . . 409 Q NE2 . 15796 1 661 . 1 1 56 56 GLU H H 1 8.467 0.006 . 1 . . . . 410 E HN . 15796 1 662 . 1 1 56 56 GLU HA H 1 4.057 0.004 . 1 . . . . 410 E HA . 15796 1 663 . 1 1 56 56 GLU HB2 H 1 2.074 0.004 . 2 . . . . 410 E QB . 15796 1 664 . 1 1 56 56 GLU HB3 H 1 2.074 0.004 . 2 . . . . 410 E QB . 15796 1 665 . 1 1 56 56 GLU HG2 H 1 2.247 0.005 . 2 . . . . 410 E HG1 . 15796 1 666 . 1 1 56 56 GLU HG3 H 1 2.449 0.003 . 2 . . . . 410 E HG2 . 15796 1 667 . 1 1 56 56 GLU C C 13 174.787 0.006 . 1 . . . . 410 E C . 15796 1 668 . 1 1 56 56 GLU CA C 13 55.909 0.056 . 1 . . . . 410 E CA . 15796 1 669 . 1 1 56 56 GLU CB C 13 26.895 0.073 . 1 . . . . 410 E CB . 15796 1 670 . 1 1 56 56 GLU CG C 13 34.046 0.047 . 1 . . . . 410 E CG . 15796 1 671 . 1 1 56 56 GLU N N 15 119.448 0.032 . 1 . . . . 410 E N . 15796 1 672 . 1 1 57 57 SER H H 1 7.438 0.003 . 1 . . . . 411 S HN . 15796 1 673 . 1 1 57 57 SER HA H 1 4.607 0.112 . 1 . . . . 411 S HA . 15796 1 674 . 1 1 57 57 SER HB2 H 1 3.840 0.005 . 2 . . . . 411 S QB . 15796 1 675 . 1 1 57 57 SER HB3 H 1 3.840 0.005 . 2 . . . . 411 S QB . 15796 1 676 . 1 1 57 57 SER C C 13 170.849 0.002 . 1 . . . . 411 S C . 15796 1 677 . 1 1 57 57 SER CA C 13 55.540 0.056 . 1 . . . . 411 S CA . 15796 1 678 . 1 1 57 57 SER CB C 13 60.928 0.069 . 1 . . . . 411 S CB . 15796 1 679 . 1 1 57 57 SER N N 15 113.752 0.034 . 1 . . . . 411 S N . 15796 1 680 . 1 1 58 58 GLU H H 1 7.855 0.003 . 1 . . . . 412 E HN . 15796 1 681 . 1 1 58 58 GLU HA H 1 3.772 0.003 . 1 . . . . 412 E HA . 15796 1 682 . 1 1 58 58 GLU HB2 H 1 1.662 0.005 . 2 . . . . 412 E HB1 . 15796 1 683 . 1 1 58 58 GLU HB3 H 1 1.852 0.004 . 2 . . . . 412 E HB2 . 15796 1 684 . 1 1 58 58 GLU HG2 H 1 1.742 0.004 . 2 . . . . 412 E HG1 . 15796 1 685 . 1 1 58 58 GLU HG3 H 1 1.867 0.005 . 2 . . . . 412 E HG2 . 15796 1 686 . 1 1 58 58 GLU C C 13 173.743 0.017 . 1 . . . . 412 E C . 15796 1 687 . 1 1 58 58 GLU CA C 13 54.442 0.068 . 1 . . . . 412 E CA . 15796 1 688 . 1 1 58 58 GLU CB C 13 24.603 0.098 . 1 . . . . 412 E CB . 15796 1 689 . 1 1 58 58 GLU CG C 13 33.499 0.054 . 1 . . . . 412 E CG . 15796 1 690 . 1 1 58 58 GLU N N 15 115.908 0.033 . 1 . . . . 412 E N . 15796 1 691 . 1 1 59 59 GLY H H 1 7.588 0.002 . 1 . . . . 413 G HN . 15796 1 692 . 1 1 59 59 GLY HA2 H 1 1.643 0.008 . 2 . . . . 413 G HA1 . 15796 1 693 . 1 1 59 59 GLY HA3 H 1 2.949 0.004 . 2 . . . . 413 G HA2 . 15796 1 694 . 1 1 59 59 GLY C C 13 170.850 0.012 . 1 . . . . 413 G C . 15796 1 695 . 1 1 59 59 GLY CA C 13 41.724 0.055 . 1 . . . . 413 G CA . 15796 1 696 . 1 1 59 59 GLY N N 15 108.032 0.032 . 1 . . . . 413 G N . 15796 1 697 . 1 1 60 60 GLN H H 1 7.973 0.008 . 1 . . . . 414 Q HN . 15796 1 698 . 1 1 60 60 GLN HA H 1 4.366 0.004 . 1 . . . . 414 Q HA . 15796 1 699 . 1 1 60 60 GLN HB2 H 1 1.913 0.006 . 2 . . . . 414 Q HB1 . 15796 1 700 . 1 1 60 60 GLN HB3 H 1 2.072 0.006 . 2 . . . . 414 Q HB2 . 15796 1 701 . 1 1 60 60 GLN HE21 H 1 6.755 0.003 . 2 . . . . 414 Q HE21 . 15796 1 702 . 1 1 60 60 GLN HE22 H 1 7.399 0.002 . 2 . . . . 414 Q HE22 . 15796 1 703 . 1 1 60 60 GLN HG2 H 1 2.291 0.007 . 2 . . . . 414 Q QG . 15796 1 704 . 1 1 60 60 GLN HG3 H 1 2.291 0.007 . 2 . . . . 414 Q QG . 15796 1 705 . 1 1 60 60 GLN C C 13 173.108 0.059 . 1 . . . . 414 Q C . 15796 1 706 . 1 1 60 60 GLN CA C 13 52.422 0.057 . 1 . . . . 414 Q CA . 15796 1 707 . 1 1 60 60 GLN CB C 13 27.049 0.100 . 1 . . . . 414 Q CB . 15796 1 708 . 1 1 60 60 GLN CG C 13 30.948 0.050 . 1 . . . . 414 Q CG . 15796 1 709 . 1 1 60 60 GLN N N 15 122.690 0.075 . 1 . . . . 414 Q N . 15796 1 710 . 1 1 60 60 GLN NE2 N 15 112.703 0.037 . 1 . . . . 414 Q NE2 . 15796 1 711 . 1 1 61 61 GLY H H 1 8.301 0.002 . 1 . . . . 415 G HN . 15796 1 712 . 1 1 61 61 GLY HA2 H 1 3.700 0.003 . 2 . . . . 415 G HA1 . 15796 1 713 . 1 1 61 61 GLY HA3 H 1 3.920 0.004 . 2 . . . . 415 G HA2 . 15796 1 714 . 1 1 61 61 GLY C C 13 170.249 0.013 . 1 . . . . 415 G C . 15796 1 715 . 1 1 61 61 GLY CA C 13 42.210 0.056 . 1 . . . . 415 G CA . 15796 1 716 . 1 1 61 61 GLY N N 15 110.794 0.037 . 1 . . . . 415 G N . 15796 1 717 . 1 1 62 62 CYS H H 1 8.549 0.002 . 1 . . . . 416 C HN . 15796 1 718 . 1 1 62 62 CYS HA H 1 4.227 0.003 . 1 . . . . 416 C HA . 15796 1 719 . 1 1 62 62 CYS HB2 H 1 2.943 0.004 . 2 . . . . 416 C HB1 . 15796 1 720 . 1 1 62 62 CYS HB3 H 1 3.283 0.003 . 2 . . . . 416 C HB2 . 15796 1 721 . 1 1 62 62 CYS C C 13 172.914 0.001 . 1 . . . . 416 C C . 15796 1 722 . 1 1 62 62 CYS CA C 13 54.008 0.062 . 1 . . . . 416 C CA . 15796 1 723 . 1 1 62 62 CYS CB C 13 29.716 0.034 . 1 . . . . 416 C CB . 15796 1 724 . 1 1 62 62 CYS N N 15 123.683 0.037 . 1 . . . . 416 C N . 15796 1 725 . 1 1 63 63 PRO HA H 1 2.611 0.008 . 1 . . . . 417 P HA . 15796 1 726 . 1 1 63 63 PRO HB2 H 1 0.470 0.012 . 2 . . . . 417 P HB1 . 15796 1 727 . 1 1 63 63 PRO HB3 H 1 0.620 0.008 . 2 . . . . 417 P HB2 . 15796 1 728 . 1 1 63 63 PRO HD2 H 1 3.270 0.003 . 2 . . . . 417 P HD1 . 15796 1 729 . 1 1 63 63 PRO HD3 H 1 3.503 0.005 . 2 . . . . 417 P HD2 . 15796 1 730 . 1 1 63 63 PRO HG2 H 1 0.887 0.004 . 2 . . . . 417 P HG1 . 15796 1 731 . 1 1 63 63 PRO HG3 H 1 1.286 0.004 . 2 . . . . 417 P HG2 . 15796 1 732 . 1 1 63 63 PRO C C 13 174.143 0.001 . 1 . . . . 417 P C . 15796 1 733 . 1 1 63 63 PRO CA C 13 61.689 0.059 . 1 . . . . 417 P CA . 15796 1 734 . 1 1 63 63 PRO CB C 13 28.534 0.071 . 1 . . . . 417 P CB . 15796 1 735 . 1 1 63 63 PRO CD C 13 47.563 0.059 . 1 . . . . 417 P CD . 15796 1 736 . 1 1 63 63 PRO CG C 13 23.761 0.093 . 1 . . . . 417 P CG . 15796 1 737 . 1 1 64 64 PHE H H 1 8.968 0.004 . 1 . . . . 418 F HN . 15796 1 738 . 1 1 64 64 PHE HA H 1 4.250 0.003 . 1 . . . . 418 F HA . 15796 1 739 . 1 1 64 64 PHE HB2 H 1 2.112 0.004 . 2 . . . . 418 F HB1 . 15796 1 740 . 1 1 64 64 PHE HB3 H 1 2.380 0.006 . 2 . . . . 418 F HB2 . 15796 1 741 . 1 1 64 64 PHE HD1 H 1 6.743 0.004 . 3 . . . . 418 F QD . 15796 1 742 . 1 1 64 64 PHE HD2 H 1 6.743 0.004 . 3 . . . . 418 F QD . 15796 1 743 . 1 1 64 64 PHE HE1 H 1 7.255 0.004 . 3 . . . . 418 F QE . 15796 1 744 . 1 1 64 64 PHE HE2 H 1 7.255 0.004 . 3 . . . . 418 F QE . 15796 1 745 . 1 1 64 64 PHE HZ H 1 7.312 0.003 . 1 . . . . 418 F HZ . 15796 1 746 . 1 1 64 64 PHE C C 13 174.243 0.011 . 1 . . . . 418 F C . 15796 1 747 . 1 1 64 64 PHE CA C 13 56.720 0.074 . 1 . . . . 418 F CA . 15796 1 748 . 1 1 64 64 PHE CB C 13 36.458 0.054 . 1 . . . . 418 F CB . 15796 1 749 . 1 1 64 64 PHE CD1 C 13 128.200 0.001 . 3 . . . . 418 F CD . 15796 1 750 . 1 1 64 64 PHE CE1 C 13 128.600 0.001 . 3 . . . . 418 F CE . 15796 1 751 . 1 1 64 64 PHE CZ C 13 127.400 0.001 . 1 . . . . 418 F CZ . 15796 1 752 . 1 1 64 64 PHE N N 15 117.008 0.034 . 1 . . . . 418 F N . 15796 1 753 . 1 1 65 65 CYS H H 1 7.968 0.004 . 1 . . . . 419 C HN . 15796 1 754 . 1 1 65 65 CYS HA H 1 4.906 0.005 . 1 . . . . 419 C HA . 15796 1 755 . 1 1 65 65 CYS HB2 H 1 2.705 0.008 . 2 . . . . 419 C HB1 . 15796 1 756 . 1 1 65 65 CYS HB3 H 1 3.387 0.009 . 2 . . . . 419 C HB2 . 15796 1 757 . 1 1 65 65 CYS C C 13 173.198 0.003 . 1 . . . . 419 C C . 15796 1 758 . 1 1 65 65 CYS CA C 13 55.870 0.073 . 1 . . . . 419 C CA . 15796 1 759 . 1 1 65 65 CYS CB C 13 30.559 0.065 . 1 . . . . 419 C CB . 15796 1 760 . 1 1 65 65 CYS N N 15 117.505 0.031 . 1 . . . . 419 C N . 15796 1 761 . 1 1 66 66 ARG H H 1 8.761 0.003 . 1 . . . . 420 R HN . 15796 1 762 . 1 1 66 66 ARG HA H 1 4.365 0.010 . 1 . . . . 420 R HA . 15796 1 763 . 1 1 66 66 ARG HB2 H 1 2.084 0.008 . 2 . . . . 420 R HB1 . 15796 1 764 . 1 1 66 66 ARG HB3 H 1 2.151 0.006 . 2 . . . . 420 R HB2 . 15796 1 765 . 1 1 66 66 ARG HD2 H 1 3.254 0.005 . 2 . . . . 420 R HD1 . 15796 1 766 . 1 1 66 66 ARG HD3 H 1 3.297 0.006 . 2 . . . . 420 R HD2 . 15796 1 767 . 1 1 66 66 ARG HG2 H 1 1.556 0.005 . 2 . . . . 420 R HG1 . 15796 1 768 . 1 1 66 66 ARG HG3 H 1 1.658 0.004 . 2 . . . . 420 R HG2 . 15796 1 769 . 1 1 66 66 ARG C C 13 172.921 0.013 . 1 . . . . 420 R C . 15796 1 770 . 1 1 66 66 ARG CA C 13 54.763 0.073 . 1 . . . . 420 R CA . 15796 1 771 . 1 1 66 66 ARG CB C 13 24.286 0.059 . 1 . . . . 420 R CB . 15796 1 772 . 1 1 66 66 ARG CD C 13 40.082 0.055 . 1 . . . . 420 R CD . 15796 1 773 . 1 1 66 66 ARG CG C 13 24.893 0.105 . 1 . . . . 420 R CG . 15796 1 774 . 1 1 66 66 ARG N N 15 118.763 0.044 . 1 . . . . 420 R N . 15796 1 775 . 1 1 67 67 CYS H H 1 8.223 0.004 . 1 . . . . 421 C HN . 15796 1 776 . 1 1 67 67 CYS HA H 1 4.419 0.004 . 1 . . . . 421 C HA . 15796 1 777 . 1 1 67 67 CYS HB2 H 1 2.956 0.005 . 2 . . . . 421 C HB1 . 15796 1 778 . 1 1 67 67 CYS HB3 H 1 3.129 0.003 . 2 . . . . 421 C HB2 . 15796 1 779 . 1 1 67 67 CYS C C 13 171.160 0.009 . 1 . . . . 421 C C . 15796 1 780 . 1 1 67 67 CYS CA C 13 57.119 0.061 . 1 . . . . 421 C CA . 15796 1 781 . 1 1 67 67 CYS CB C 13 25.911 0.060 . 1 . . . . 421 C CB . 15796 1 782 . 1 1 67 67 CYS N N 15 120.627 0.049 . 1 . . . . 421 C N . 15796 1 783 . 1 1 68 68 GLU H H 1 8.416 0.005 . 1 . . . . 422 E HN . 15796 1 784 . 1 1 68 68 GLU HA H 1 4.025 0.003 . 1 . . . . 422 E HA . 15796 1 785 . 1 1 68 68 GLU HB2 H 1 1.895 0.007 . 2 . . . . 422 E HB1 . 15796 1 786 . 1 1 68 68 GLU HB3 H 1 1.953 0.006 . 2 . . . . 422 E HB2 . 15796 1 787 . 1 1 68 68 GLU HG2 H 1 2.062 0.005 . 2 . . . . 422 E HG1 . 15796 1 788 . 1 1 68 68 GLU HG3 H 1 2.284 0.008 . 2 . . . . 422 E HG2 . 15796 1 789 . 1 1 68 68 GLU C C 13 173.764 0.004 . 1 . . . . 422 E C . 15796 1 790 . 1 1 68 68 GLU CA C 13 54.752 0.081 . 1 . . . . 422 E CA . 15796 1 791 . 1 1 68 68 GLU CB C 13 27.302 0.072 . 1 . . . . 422 E CB . 15796 1 792 . 1 1 68 68 GLU CG C 13 33.538 0.080 . 1 . . . . 422 E CG . 15796 1 793 . 1 1 68 68 GLU N N 15 122.370 0.025 . 1 . . . . 422 E N . 15796 1 794 . 1 1 69 69 ILE H H 1 8.648 0.005 . 1 . . . . 423 I HN . 15796 1 795 . 1 1 69 69 ILE HA H 1 4.012 0.005 . 1 . . . . 423 I HA . 15796 1 796 . 1 1 69 69 ILE HB H 1 1.800 0.006 . 1 . . . . 423 I HB . 15796 1 797 . 1 1 69 69 ILE HD11 H 1 0.796 0.003 . 1 . . . . 423 I HD1 . 15796 1 798 . 1 1 69 69 ILE HD12 H 1 0.796 0.003 . 1 . . . . 423 I HD1 . 15796 1 799 . 1 1 69 69 ILE HD13 H 1 0.796 0.003 . 1 . . . . 423 I HD1 . 15796 1 800 . 1 1 69 69 ILE HG12 H 1 1.679 0.001 . 2 . . . . 423 I HG11 . 15796 1 801 . 1 1 69 69 ILE HG13 H 1 1.683 0.001 . 2 . . . . 423 I HG12 . 15796 1 802 . 1 1 69 69 ILE HG21 H 1 0.887 0.003 . 1 . . . . 423 I HG2 . 15796 1 803 . 1 1 69 69 ILE HG22 H 1 0.887 0.003 . 1 . . . . 423 I HG2 . 15796 1 804 . 1 1 69 69 ILE HG23 H 1 0.887 0.003 . 1 . . . . 423 I HG2 . 15796 1 805 . 1 1 69 69 ILE C C 13 174.257 0.006 . 1 . . . . 423 I C . 15796 1 806 . 1 1 69 69 ILE CA C 13 59.740 0.083 . 1 . . . . 423 I CA . 15796 1 807 . 1 1 69 69 ILE CB C 13 35.846 0.078 . 1 . . . . 423 I CB . 15796 1 808 . 1 1 69 69 ILE CD1 C 13 10.981 0.071 . 1 . . . . 423 I CD1 . 15796 1 809 . 1 1 69 69 ILE CG1 C 13 24.700 0.061 . 1 . . . . 423 I CG1 . 15796 1 810 . 1 1 69 69 ILE CG2 C 13 14.344 0.071 . 1 . . . . 423 I CG2 . 15796 1 811 . 1 1 69 69 ILE N N 15 125.988 0.037 . 1 . . . . 423 I N . 15796 1 812 . 1 1 70 70 LYS H H 1 9.185 0.005 . 1 . . . . 424 K HN . 15796 1 813 . 1 1 70 70 LYS HA H 1 4.434 0.003 . 1 . . . . 424 K HA . 15796 1 814 . 1 1 70 70 LYS HB2 H 1 1.560 0.004 . 2 . . . . 424 K HB1 . 15796 1 815 . 1 1 70 70 LYS HB3 H 1 1.796 0.006 . 2 . . . . 424 K HB2 . 15796 1 816 . 1 1 70 70 LYS HD2 H 1 1.585 0.004 . 2 . . . . 424 K QD . 15796 1 817 . 1 1 70 70 LYS HD3 H 1 1.585 0.004 . 2 . . . . 424 K QD . 15796 1 818 . 1 1 70 70 LYS HE2 H 1 2.876 0.003 . 2 . . . . 424 K QE . 15796 1 819 . 1 1 70 70 LYS HE3 H 1 2.876 0.003 . 2 . . . . 424 K QE . 15796 1 820 . 1 1 70 70 LYS HG2 H 1 1.332 0.003 . 2 . . . . 424 K QG . 15796 1 821 . 1 1 70 70 LYS HG3 H 1 1.332 0.003 . 2 . . . . 424 K QG . 15796 1 822 . 1 1 70 70 LYS C C 13 173.880 0.006 . 1 . . . . 424 K C . 15796 1 823 . 1 1 70 70 LYS CA C 13 53.378 0.060 . 1 . . . . 424 K CA . 15796 1 824 . 1 1 70 70 LYS CB C 13 30.397 0.082 . 1 . . . . 424 K CB . 15796 1 825 . 1 1 70 70 LYS CD C 13 25.845 0.086 . 1 . . . . 424 K CD . 15796 1 826 . 1 1 70 70 LYS CE C 13 39.321 0.029 . 1 . . . . 424 K CE . 15796 1 827 . 1 1 70 70 LYS CG C 13 22.217 0.071 . 1 . . . . 424 K CG . 15796 1 828 . 1 1 70 70 LYS N N 15 128.977 0.032 . 1 . . . . 424 K N . 15796 1 829 . 1 1 71 71 GLY H H 1 7.810 0.003 . 1 . . . . 425 G HN . 15796 1 830 . 1 1 71 71 GLY HA2 H 1 4.094 0.002 . 2 . . . . 425 G HA1 . 15796 1 831 . 1 1 71 71 GLY HA3 H 1 4.159 0.003 . 2 . . . . 425 G HA2 . 15796 1 832 . 1 1 71 71 GLY C C 13 168.179 0.058 . 1 . . . . 425 G C . 15796 1 833 . 1 1 71 71 GLY CA C 13 42.326 0.053 . 1 . . . . 425 G CA . 15796 1 834 . 1 1 71 71 GLY N N 15 107.696 0.036 . 1 . . . . 425 G N . 15796 1 835 . 1 1 72 72 THR H H 1 8.048 0.005 . 1 . . . . 426 T HN . 15796 1 836 . 1 1 72 72 THR HA H 1 5.258 0.006 . 1 . . . . 426 T HA . 15796 1 837 . 1 1 72 72 THR HB H 1 3.950 0.004 . 1 . . . . 426 T HB . 15796 1 838 . 1 1 72 72 THR HG21 H 1 1.053 0.004 . 1 . . . . 426 T HG2 . 15796 1 839 . 1 1 72 72 THR HG22 H 1 1.053 0.004 . 1 . . . . 426 T HG2 . 15796 1 840 . 1 1 72 72 THR HG23 H 1 1.053 0.004 . 1 . . . . 426 T HG2 . 15796 1 841 . 1 1 72 72 THR C C 13 170.979 0.011 . 1 . . . . 426 T C . 15796 1 842 . 1 1 72 72 THR CA C 13 56.755 0.057 . 1 . . . . 426 T CA . 15796 1 843 . 1 1 72 72 THR CB C 13 69.226 0.090 . 1 . . . . 426 T CB . 15796 1 844 . 1 1 72 72 THR CG2 C 13 19.319 0.062 . 1 . . . . 426 T CG2 . 15796 1 845 . 1 1 72 72 THR N N 15 109.122 0.050 . 1 . . . . 426 T N . 15796 1 846 . 1 1 73 73 GLU H H 1 8.912 0.004 . 1 . . . . 427 E HN . 15796 1 847 . 1 1 73 73 GLU HA H 1 4.954 0.002 . 1 . . . . 427 E HA . 15796 1 848 . 1 1 73 73 GLU HB2 H 1 1.749 0.004 . 2 . . . . 427 E HB1 . 15796 1 849 . 1 1 73 73 GLU HB3 H 1 1.971 0.003 . 2 . . . . 427 E HB2 . 15796 1 850 . 1 1 73 73 GLU HG2 H 1 2.162 0.002 . 2 . . . . 427 E QG . 15796 1 851 . 1 1 73 73 GLU HG3 H 1 2.162 0.002 . 2 . . . . 427 E QG . 15796 1 852 . 1 1 73 73 GLU C C 13 170.353 0.001 . 1 . . . . 427 E C . 15796 1 853 . 1 1 73 73 GLU CA C 13 50.182 0.054 . 1 . . . . 427 E CA . 15796 1 854 . 1 1 73 73 GLU CB C 13 30.559 0.038 . 1 . . . . 427 E CB . 15796 1 855 . 1 1 73 73 GLU CG C 13 32.713 0.042 . 1 . . . . 427 E CG . 15796 1 856 . 1 1 73 73 GLU N N 15 121.703 0.037 . 1 . . . . 427 E N . 15796 1 857 . 1 1 74 74 PRO HA H 1 4.782 0.003 . 1 . . . . 428 P HA . 15796 1 858 . 1 1 74 74 PRO HB2 H 1 1.814 0.004 . 2 . . . . 428 P HB1 . 15796 1 859 . 1 1 74 74 PRO HB3 H 1 2.356 0.003 . 2 . . . . 428 P HB2 . 15796 1 860 . 1 1 74 74 PRO HD2 H 1 3.700 0.009 . 2 . . . . 428 P HD1 . 15796 1 861 . 1 1 74 74 PRO HD3 H 1 3.789 0.006 . 2 . . . . 428 P HD2 . 15796 1 862 . 1 1 74 74 PRO HG2 H 1 1.953 0.004 . 2 . . . . 428 P HG1 . 15796 1 863 . 1 1 74 74 PRO HG3 H 1 2.042 0.004 . 2 . . . . 428 P HG2 . 15796 1 864 . 1 1 74 74 PRO C C 13 174.027 0.001 . 1 . . . . 428 P C . 15796 1 865 . 1 1 74 74 PRO CA C 13 59.771 0.060 . 1 . . . . 428 P CA . 15796 1 866 . 1 1 74 74 PRO CB C 13 29.633 0.124 . 1 . . . . 428 P CB . 15796 1 867 . 1 1 74 74 PRO CD C 13 48.113 0.073 . 1 . . . . 428 P CD . 15796 1 868 . 1 1 74 74 PRO CG C 13 24.646 0.065 . 1 . . . . 428 P CG . 15796 1 869 . 1 1 75 75 ILE H H 1 7.682 0.003 . 1 . . . . 429 I HN . 15796 1 870 . 1 1 75 75 ILE HA H 1 4.282 0.007 . 1 . . . . 429 I HA . 15796 1 871 . 1 1 75 75 ILE HB H 1 1.558 0.002 . 1 . . . . 429 I HB . 15796 1 872 . 1 1 75 75 ILE HD11 H 1 0.630 0.003 . 1 . . . . 429 I HD1 . 15796 1 873 . 1 1 75 75 ILE HD12 H 1 0.630 0.003 . 1 . . . . 429 I HD1 . 15796 1 874 . 1 1 75 75 ILE HD13 H 1 0.630 0.003 . 1 . . . . 429 I HD1 . 15796 1 875 . 1 1 75 75 ILE HG12 H 1 0.854 0.003 . 2 . . . . 429 I HG11 . 15796 1 876 . 1 1 75 75 ILE HG13 H 1 1.170 0.004 . 2 . . . . 429 I HG12 . 15796 1 877 . 1 1 75 75 ILE HG21 H 1 0.708 0.002 . 1 . . . . 429 I HG2 . 15796 1 878 . 1 1 75 75 ILE HG22 H 1 0.708 0.002 . 1 . . . . 429 I HG2 . 15796 1 879 . 1 1 75 75 ILE HG23 H 1 0.708 0.002 . 1 . . . . 429 I HG2 . 15796 1 880 . 1 1 75 75 ILE C C 13 172.510 0.008 . 1 . . . . 429 I C . 15796 1 881 . 1 1 75 75 ILE CA C 13 57.456 0.044 . 1 . . . . 429 I CA . 15796 1 882 . 1 1 75 75 ILE CB C 13 37.903 0.145 . 1 . . . . 429 I CB . 15796 1 883 . 1 1 75 75 ILE CD1 C 13 11.582 0.047 . 1 . . . . 429 I CD1 . 15796 1 884 . 1 1 75 75 ILE CG1 C 13 24.387 0.046 . 1 . . . . 429 I CG1 . 15796 1 885 . 1 1 75 75 ILE CG2 C 13 15.442 0.059 . 1 . . . . 429 I CG2 . 15796 1 886 . 1 1 75 75 ILE N N 15 119.651 0.043 . 1 . . . . 429 I N . 15796 1 887 . 1 1 76 76 VAL H H 1 8.122 0.004 . 1 . . . . 430 V HN . 15796 1 888 . 1 1 76 76 VAL HA H 1 4.197 0.007 . 1 . . . . 430 V HA . 15796 1 889 . 1 1 76 76 VAL HB H 1 1.788 0.002 . 1 . . . . 430 V HB . 15796 1 890 . 1 1 76 76 VAL C C 13 172.971 0.012 . 1 . . . . 430 V C . 15796 1 891 . 1 1 76 76 VAL CA C 13 58.821 0.079 . 1 . . . . 430 V CA . 15796 1 892 . 1 1 76 76 VAL CB C 13 30.807 0.093 . 1 . . . . 430 V CB . 15796 1 893 . 1 1 76 76 VAL CG1 C 13 17.814 0.013 . 2 . . . . 430 V CG1 . 15796 1 894 . 1 1 76 76 VAL CG2 C 13 18.448 0.141 . 2 . . . . 430 V CG2 . 15796 1 895 . 1 1 76 76 VAL N N 15 124.178 0.065 . 1 . . . . 430 V N . 15796 1 896 . 1 1 77 77 VAL H H 1 8.448 0.011 . 1 . . . . 431 V HN . 15796 1 897 . 1 1 77 77 VAL HA H 1 4.087 0.020 . 1 . . . . 431 V HA . 15796 1 898 . 1 1 77 77 VAL HB H 1 1.970 0.009 . 1 . . . . 431 V HB . 15796 1 899 . 1 1 77 77 VAL HG11 H 1 0.826 0.009 . 2 . . . . 431 V QG . 15796 1 900 . 1 1 77 77 VAL HG12 H 1 0.826 0.009 . 2 . . . . 431 V QG . 15796 1 901 . 1 1 77 77 VAL HG13 H 1 0.826 0.009 . 2 . . . . 431 V QG . 15796 1 902 . 1 1 77 77 VAL HG21 H 1 0.826 0.009 . 2 . . . . 431 V QG . 15796 1 903 . 1 1 77 77 VAL HG22 H 1 0.826 0.009 . 2 . . . . 431 V QG . 15796 1 904 . 1 1 77 77 VAL HG23 H 1 0.826 0.009 . 2 . . . . 431 V QG . 15796 1 905 . 1 1 77 77 VAL C C 13 172.493 0.036 . 1 . . . . 431 V C . 15796 1 906 . 1 1 77 77 VAL CA C 13 59.185 0.088 . 1 . . . . 431 V CA . 15796 1 907 . 1 1 77 77 VAL CB C 13 30.084 0.082 . 1 . . . . 431 V CB . 15796 1 908 . 1 1 77 77 VAL CG1 C 13 18.325 0.148 . 2 . . . . 431 V CG1 . 15796 1 909 . 1 1 77 77 VAL CG2 C 13 18.893 0.091 . 2 . . . . 431 V CG2 . 15796 1 910 . 1 1 77 77 VAL N N 15 125.770 0.042 . 1 . . . . 431 V N . 15796 1 911 . 1 1 78 78 ASP H H 1 8.493 0.015 . 1 . . . . 432 D HN . 15796 1 912 . 1 1 78 78 ASP HA H 1 4.852 0.004 . 1 . . . . 432 D HA . 15796 1 913 . 1 1 78 78 ASP HB2 H 1 2.471 0.003 . 2 . . . . 432 D HB1 . 15796 1 914 . 1 1 78 78 ASP HB3 H 1 2.709 0.006 . 2 . . . . 432 D HB2 . 15796 1 915 . 1 1 78 78 ASP C C 13 172.048 0.001 . 1 . . . . 432 D C . 15796 1 916 . 1 1 78 78 ASP CA C 13 49.233 0.057 . 1 . . . . 432 D CA . 15796 1 917 . 1 1 78 78 ASP CB C 13 38.858 0.031 . 1 . . . . 432 D CB . 15796 1 918 . 1 1 78 78 ASP N N 15 126.705 0.066 . 1 . . . . 432 D N . 15796 1 919 . 1 1 79 79 PRO HA H 1 4.237 0.004 . 1 . . . . 433 P HA . 15796 1 920 . 1 1 79 79 PRO HB2 H 1 1.587 0.005 . 2 . . . . 433 P HB1 . 15796 1 921 . 1 1 79 79 PRO HB3 H 1 2.064 0.009 . 2 . . . . 433 P HB2 . 15796 1 922 . 1 1 79 79 PRO HD2 H 1 3.694 0.007 . 2 . . . . 433 P HD1 . 15796 1 923 . 1 1 79 79 PRO HD3 H 1 3.786 0.005 . 2 . . . . 433 P HD2 . 15796 1 924 . 1 1 79 79 PRO HG2 H 1 1.698 0.006 . 2 . . . . 433 P HG1 . 15796 1 925 . 1 1 79 79 PRO HG3 H 1 1.854 0.014 . 2 . . . . 433 P HG2 . 15796 1 926 . 1 1 79 79 PRO C C 13 173.812 0.008 . 1 . . . . 433 P C . 15796 1 927 . 1 1 79 79 PRO CA C 13 60.627 0.061 . 1 . . . . 433 P CA . 15796 1 928 . 1 1 79 79 PRO CB C 13 29.329 0.067 . 1 . . . . 433 P CB . 15796 1 929 . 1 1 79 79 PRO CD C 13 48.059 0.061 . 1 . . . . 433 P CD . 15796 1 930 . 1 1 79 79 PRO CG C 13 24.243 0.047 . 1 . . . . 433 P CG . 15796 1 931 . 1 1 80 80 PHE H H 1 8.191 0.004 . 1 . . . . 434 F HN . 15796 1 932 . 1 1 80 80 PHE HA H 1 4.463 0.008 . 1 . . . . 434 F HA . 15796 1 933 . 1 1 80 80 PHE HB2 H 1 2.952 0.007 . 2 . . . . 434 F HB1 . 15796 1 934 . 1 1 80 80 PHE HB3 H 1 3.026 0.010 . 2 . . . . 434 F HB2 . 15796 1 935 . 1 1 80 80 PHE HD1 H 1 7.132 0.004 . 3 . . . . 434 F QD . 15796 1 936 . 1 1 80 80 PHE HD2 H 1 7.132 0.004 . 3 . . . . 434 F QD . 15796 1 937 . 1 1 80 80 PHE HE1 H 1 7.230 0.002 . 3 . . . . 434 F QE . 15796 1 938 . 1 1 80 80 PHE HE2 H 1 7.230 0.002 . 3 . . . . 434 F QE . 15796 1 939 . 1 1 80 80 PHE C C 13 172.283 0.017 . 1 . . . . 434 F C . 15796 1 940 . 1 1 80 80 PHE CA C 13 54.971 0.085 . 1 . . . . 434 F CA . 15796 1 941 . 1 1 80 80 PHE CB C 13 36.490 0.060 . 1 . . . . 434 F CB . 15796 1 942 . 1 1 80 80 PHE CD1 C 13 129.000 0.001 . 3 . . . . 434 F CD . 15796 1 943 . 1 1 80 80 PHE CE1 C 13 129.000 0.001 . 3 . . . . 434 F CE . 15796 1 944 . 1 1 80 80 PHE N N 15 119.263 0.068 . 1 . . . . 434 F N . 15796 1 945 . 1 1 81 81 ASP H H 1 7.823 0.003 . 1 . . . . 435 D HN . 15796 1 946 . 1 1 81 81 ASP HA H 1 4.759 0.003 . 1 . . . . 435 D HA . 15796 1 947 . 1 1 81 81 ASP HB2 H 1 2.393 0.006 . 2 . . . . 435 D HB1 . 15796 1 948 . 1 1 81 81 ASP HB3 H 1 2.647 0.003 . 2 . . . . 435 D HB2 . 15796 1 949 . 1 1 81 81 ASP C C 13 171.057 0.001 . 1 . . . . 435 D C . 15796 1 950 . 1 1 81 81 ASP CA C 13 49.174 0.020 . 1 . . . . 435 D CA . 15796 1 951 . 1 1 81 81 ASP CB C 13 38.725 0.028 . 1 . . . . 435 D CB . 15796 1 952 . 1 1 81 81 ASP N N 15 123.530 0.079 . 1 . . . . 435 D N . 15796 1 953 . 1 1 82 82 PRO HA H 1 4.296 0.003 . 1 . . . . 436 P HA . 15796 1 954 . 1 1 82 82 PRO HB2 H 1 1.947 0.005 . 2 . . . . 436 P HB1 . 15796 1 955 . 1 1 82 82 PRO HB3 H 1 2.070 0.004 . 2 . . . . 436 P HB2 . 15796 1 956 . 1 1 82 82 PRO HD2 H 1 3.539 0.003 . 2 . . . . 436 P HD1 . 15796 1 957 . 1 1 82 82 PRO HD3 H 1 3.650 0.007 . 2 . . . . 436 P HD2 . 15796 1 958 . 1 1 82 82 PRO HG2 H 1 1.895 0.003 . 2 . . . . 436 P QG . 15796 1 959 . 1 1 82 82 PRO HG3 H 1 1.895 0.003 . 2 . . . . 436 P QG . 15796 1 960 . 1 1 82 82 PRO C C 13 173.494 0.001 . 1 . . . . 436 P C . 15796 1 961 . 1 1 82 82 PRO CA C 13 60.625 0.057 . 1 . . . . 436 P CA . 15796 1 962 . 1 1 82 82 PRO CB C 13 29.237 0.057 . 1 . . . . 436 P CB . 15796 1 963 . 1 1 82 82 PRO CD C 13 47.778 0.070 . 1 . . . . 436 P CD . 15796 1 964 . 1 1 82 82 PRO CG C 13 24.223 0.062 . 1 . . . . 436 P CG . 15796 1 965 . 1 1 83 83 ARG H H 1 7.834 0.002 . 1 . . . . 437 R HN . 15796 1 966 . 1 1 83 83 ARG HA H 1 4.003 0.004 . 1 . . . . 437 R HA . 15796 1 967 . 1 1 83 83 ARG HB2 H 1 1.670 0.005 . 2 . . . . 437 R HB1 . 15796 1 968 . 1 1 83 83 ARG HB3 H 1 1.771 0.007 . 2 . . . . 437 R HB2 . 15796 1 969 . 1 1 83 83 ARG HD2 H 1 3.116 0.005 . 2 . . . . 437 R QD . 15796 1 970 . 1 1 83 83 ARG HD3 H 1 3.116 0.005 . 2 . . . . 437 R QD . 15796 1 971 . 1 1 83 83 ARG HG2 H 1 1.539 0.005 . 2 . . . . 437 R HG2 . 15796 1 972 . 1 1 83 83 ARG C C 13 173.493 0.001 . 1 . . . . 437 R C . 15796 1 973 . 1 1 83 83 ARG CA C 13 55.051 0.054 . 1 . . . . 437 R CA . 15796 1 974 . 1 1 83 83 ARG CB C 13 28.716 0.063 . 1 . . . . 437 R CB . 15796 1 975 . 1 1 83 83 ARG CD C 13 40.796 0.029 . 1 . . . . 437 R CD . 15796 1 976 . 1 1 83 83 ARG CG C 13 24.496 0.026 . 1 . . . . 437 R CG . 15796 1 977 . 1 1 83 83 ARG N N 15 126.671 0.015 . 1 . . . . 437 R N . 15796 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 15796 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15796 2 2 '2D 1H-13C HSQC' . . . 15796 2 3 '2D 1H-1H NOESY' . . . 15796 2 4 '3D CBCA(CO)NH' . . . 15796 2 5 '3D C(CO)NH' . . . 15796 2 6 '3D HNCO' . . . 15796 2 7 '3D HNCA' . . . 15796 2 8 '3D HNCACB' . . . 15796 2 9 '3D HBHA(CO)NH' . . . 15796 2 10 '3D HN(CO)CA' . . . 15796 2 11 '3D HCCH-TOCSY' . . . 15796 2 12 '3D 1H-15N NOESY' . . . 15796 2 13 '3D 1H-15N TOCSY' . . . 15796 2 14 '3D 1H-13C NOESY' . . . 15796 2 15 '3D HNCACO' . . . 15796 2 16 '3D CNH-NOESY' . . . 15796 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 74 74 PRO HA H 1 4.372 0.004 . 1 . . . . 428 P HA . 15796 2 2 . 1 1 74 74 PRO C C 13 173.839 0.008 . 1 . . . . 428 P C . 15796 2 3 . 1 1 74 74 PRO CA C 13 60.241 0.096 . 1 . . . . 428 P CA . 15796 2 4 . 1 1 74 74 PRO CB C 13 29.299 0.035 . 1 . . . . 428 P CB . 15796 2 5 . 1 1 74 74 PRO CD C 13 47.835 0.001 . 1 . . . . 428 P CD . 15796 2 6 . 1 1 74 74 PRO CG C 13 24.593 0.046 . 1 . . . . 428 P CG . 15796 2 7 . 1 1 75 75 ILE H H 1 8.144 0.005 . 1 . . . . 429 I HN . 15796 2 8 . 1 1 75 75 ILE HA H 1 4.086 0.003 . 1 . . . . 429 I HA . 15796 2 9 . 1 1 75 75 ILE HB H 1 1.749 0.004 . 1 . . . . 429 I HB . 15796 2 10 . 1 1 75 75 ILE HD11 H 1 0.800 0.004 . 1 . . . . 429 I HD1 . 15796 2 11 . 1 1 75 75 ILE HD12 H 1 0.800 0.004 . 1 . . . . 429 I HD1 . 15796 2 12 . 1 1 75 75 ILE HD13 H 1 0.800 0.004 . 1 . . . . 429 I HD1 . 15796 2 13 . 1 1 75 75 ILE HG12 H 1 1.127 0.004 . 2 . . . . 429 I HG11 . 15796 2 14 . 1 1 75 75 ILE HG13 H 1 1.444 0.002 . 2 . . . . 429 I HG12 . 15796 2 15 . 1 1 75 75 ILE C C 13 173.426 0.007 . 1 . . . . 429 I C . 15796 2 16 . 1 1 75 75 ILE CA C 13 58.339 0.060 . 1 . . . . 429 I CA . 15796 2 17 . 1 1 75 75 ILE CB C 13 35.988 0.077 . 1 . . . . 429 I CB . 15796 2 18 . 1 1 75 75 ILE CD1 C 13 10.210 0.038 . 1 . . . . 429 I CD1 . 15796 2 19 . 1 1 75 75 ILE CG1 C 13 24.677 0.073 . 1 . . . . 429 I CG1 . 15796 2 20 . 1 1 75 75 ILE CG2 C 13 14.765 0.057 . 1 . . . . 429 I CG2 . 15796 2 21 . 1 1 75 75 ILE N N 15 121.551 0.033 . 1 . . . . 429 I N . 15796 2 22 . 1 1 76 76 VAL H H 1 8.221 0.004 . 1 . . . . 430 V HN . 15796 2 23 . 1 1 76 76 VAL HA H 1 4.083 0.001 . 1 . . . . 430 V HA . 15796 2 24 . 1 1 76 76 VAL C C 13 173.067 0.031 . 1 . . . . 430 V C . 15796 2 25 . 1 1 76 76 VAL CA C 13 59.445 0.016 . 1 . . . . 430 V CA . 15796 2 26 . 1 1 76 76 VAL CB C 13 30.407 0.001 . 1 . . . . 430 V CB . 15796 2 27 . 1 1 76 76 VAL N N 15 125.930 0.042 . 1 . . . . 430 V N . 15796 2 28 . 1 1 77 77 VAL H H 1 8.412 0.001 . 1 . . . . 431 V HN . 15796 2 29 . 1 1 77 77 VAL HA H 1 4.038 0.003 . 1 . . . . 431 V HA . 15796 2 30 . 1 1 77 77 VAL HB H 1 1.948 0.002 . 1 . . . . 431 V HB . 15796 2 31 . 1 1 77 77 VAL HG11 H 1 0.834 0.001 . 1 . . . . 431 V HG1 . 15796 2 32 . 1 1 77 77 VAL HG12 H 1 0.834 0.001 . 1 . . . . 431 V HG1 . 15796 2 33 . 1 1 77 77 VAL HG13 H 1 0.834 0.001 . 1 . . . . 431 V HG1 . 15796 2 34 . 1 1 77 77 VAL HG21 H 1 0.834 0.001 . 1 . . . . 431 V HG2 . 15796 2 35 . 1 1 77 77 VAL HG22 H 1 0.834 0.001 . 1 . . . . 431 V HG2 . 15796 2 36 . 1 1 77 77 VAL HG23 H 1 0.834 0.001 . 1 . . . . 431 V HG2 . 15796 2 37 . 1 1 77 77 VAL C C 13 172.617 0.026 . 1 . . . . 431 V C . 15796 2 38 . 1 1 77 77 VAL CA C 13 59.137 0.034 . 1 . . . . 431 V CA . 15796 2 39 . 1 1 77 77 VAL CB C 13 30.292 0.001 . 1 . . . . 431 V CB . 15796 2 40 . 1 1 77 77 VAL CG1 C 13 17.715 0.001 . 2 . . . . 431 V CG1 . 15796 2 41 . 1 1 77 77 VAL CG2 C 13 18.290 0.001 . 2 . . . . 431 V CG2 . 15796 2 42 . 1 1 77 77 VAL N N 15 125.655 0.001 . 1 . . . . 431 V N . 15796 2 43 . 1 1 78 78 ASP H H 1 8.419 0.004 . 1 . . . . 432 D HN . 15796 2 44 . 1 1 78 78 ASP HA H 1 4.829 0.001 . 1 . . . . 432 D HA . 15796 2 45 . 1 1 78 78 ASP C C 13 172.252 0.001 . 1 . . . . 432 D C . 15796 2 46 . 1 1 78 78 ASP CA C 13 49.320 0.045 . 1 . . . . 432 D CA . 15796 2 47 . 1 1 78 78 ASP CB C 13 39.066 0.001 . 1 . . . . 432 D CB . 15796 2 48 . 1 1 78 78 ASP N N 15 126.226 0.043 . 1 . . . . 432 D N . 15796 2 49 . 1 1 79 79 PRO C C 13 173.867 0.001 . 1 . . . . 433 P C . 15796 2 50 . 1 1 80 80 PHE H H 1 8.191 0.002 . 1 . . . . 434 F HN . 15796 2 51 . 1 1 80 80 PHE HA H 1 4.528 0.004 . 1 . . . . 434 F HA . 15796 2 52 . 1 1 80 80 PHE HB2 H 1 2.984 0.006 . 2 . . . . 434 F HB1 . 15796 2 53 . 1 1 80 80 PHE HB3 H 1 3.122 0.006 . 2 . . . . 434 F HB2 . 15796 2 54 . 1 1 80 80 PHE C C 13 172.457 0.005 . 1 . . . . 434 F C . 15796 2 55 . 1 1 80 80 PHE CA C 13 54.828 0.068 . 1 . . . . 434 F CA . 15796 2 56 . 1 1 80 80 PHE CB C 13 36.457 0.013 . 1 . . . . 434 F CB . 15796 2 57 . 1 1 80 80 PHE N N 15 118.871 0.072 . 1 . . . . 434 F N . 15796 2 58 . 1 1 81 81 ASP H H 1 7.881 0.004 . 1 . . . . 435 D HN . 15796 2 59 . 1 1 81 81 ASP HA H 1 4.801 0.001 . 1 . . . . 435 D HA . 15796 2 60 . 1 1 81 81 ASP C C 13 171.144 0.001 . 1 . . . . 435 D C . 15796 2 61 . 1 1 81 81 ASP CA C 13 49.406 0.028 . 1 . . . . 435 D CA . 15796 2 62 . 1 1 81 81 ASP CB C 13 38.618 0.001 . 1 . . . . 435 D CB . 15796 2 63 . 1 1 81 81 ASP N N 15 123.108 0.028 . 1 . . . . 435 D N . 15796 2 64 . 1 1 82 82 PRO HA H 1 4.364 0.004 . 1 . . . . 436 P HA . 15796 2 65 . 1 1 82 82 PRO HB2 H 1 1.978 0.001 . 2 . . . . 436 P HB1 . 15796 2 66 . 1 1 82 82 PRO HB3 H 1 2.143 0.009 . 2 . . . . 436 P HB2 . 15796 2 67 . 1 1 82 82 PRO C C 13 173.563 0.001 . 1 . . . . 436 P C . 15796 2 68 . 1 1 82 82 PRO CA C 13 60.729 0.066 . 1 . . . . 436 P CA . 15796 2 69 . 1 1 82 82 PRO CB C 13 29.160 0.063 . 1 . . . . 436 P CB . 15796 2 70 . 1 1 82 82 PRO CD C 13 47.712 0.001 . 1 . . . . 436 P CD . 15796 2 71 . 1 1 82 82 PRO CG C 13 24.179 0.001 . 1 . . . . 436 P CG . 15796 2 72 . 1 1 83 83 ARG H H 1 7.886 0.002 . 1 . . . . 437 R HN . 15796 2 73 . 1 1 83 83 ARG HA H 1 4.031 0.013 . 1 . . . . 437 R HA . 15796 2 74 . 1 1 83 83 ARG C C 13 173.578 0.001 . 1 . . . . 437 R C . 15796 2 75 . 1 1 83 83 ARG CA C 13 55.015 0.015 . 1 . . . . 437 R CA . 15796 2 76 . 1 1 83 83 ARG CB C 13 28.864 0.001 . 1 . . . . 437 R CB . 15796 2 77 . 1 1 83 83 ARG N N 15 126.759 0.017 . 1 . . . . 437 R N . 15796 2 stop_ save_ save_assigned_chem_shift_list_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_3 _Assigned_chem_shift_list.Entry_ID 15796 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15796 3 2 '2D 1H-13C HSQC' . . . 15796 3 3 '2D 1H-1H NOESY' . . . 15796 3 4 '3D CBCA(CO)NH' . . . 15796 3 5 '3D C(CO)NH' . . . 15796 3 6 '3D HNCO' . . . 15796 3 7 '3D HNCA' . . . 15796 3 8 '3D HNCACB' . . . 15796 3 9 '3D HBHA(CO)NH' . . . 15796 3 10 '3D HN(CO)CA' . . . 15796 3 11 '3D HCCH-TOCSY' . . . 15796 3 12 '3D 1H-15N NOESY' . . . 15796 3 13 '3D 1H-15N TOCSY' . . . 15796 3 14 '3D 1H-13C NOESY' . . . 15796 3 15 '3D HNCACO' . . . 15796 3 16 '3D CNH-NOESY' . . . 15796 3 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 76 76 VAL HA H 1 4.086 0.008 . 1 . . . . 430 V HA . 15796 3 2 . 1 1 76 76 VAL CA C 13 59.372 0.051 . 1 . . . . 430 V CA . 15796 3 3 . 1 1 76 76 VAL CG1 C 13 18.009 0.001 . 2 . . . . 430 V CG1 . 15796 3 4 . 1 1 77 77 VAL H H 1 8.204 0.003 . 1 . . . . 431 V HN . 15796 3 5 . 1 1 77 77 VAL HA H 1 4.049 0.001 . 1 . . . . 431 V HA . 15796 3 6 . 1 1 77 77 VAL C C 13 172.636 0.001 . 1 . . . . 431 V C . 15796 3 7 . 1 1 77 77 VAL CA C 13 59.315 0.001 . 1 . . . . 431 V CA . 15796 3 8 . 1 1 77 77 VAL CB C 13 30.219 0.001 . 1 . . . . 431 V CB . 15796 3 9 . 1 1 77 77 VAL N N 15 125.320 0.044 . 1 . . . . 431 V N . 15796 3 10 . 1 1 79 79 PRO CA C 13 63.865 0.001 . 1 . . . . 433 P CA . 15796 3 11 . 1 1 80 80 PHE H H 1 8.182 0.003 . 1 . . . . 434 F HN . 15796 3 12 . 1 1 80 80 PHE HA H 1 4.499 0.012 . 1 . . . . 434 F HA . 15796 3 13 . 1 1 80 80 PHE C C 13 171.680 0.010 . 1 . . . . 434 F C . 15796 3 14 . 1 1 80 80 PHE CA C 13 54.657 0.071 . 1 . . . . 434 F CA . 15796 3 15 . 1 1 80 80 PHE CB C 13 36.272 0.031 . 1 . . . . 434 F CB . 15796 3 16 . 1 1 80 80 PHE N N 15 118.611 0.039 . 1 . . . . 434 F N . 15796 3 17 . 1 1 81 81 ASP H H 1 7.490 0.002 . 1 . . . . 435 D HN . 15796 3 18 . 1 1 81 81 ASP HA H 1 4.698 0.001 . 1 . . . . 435 D HA . 15796 3 19 . 1 1 81 81 ASP C C 13 171.662 0.001 . 1 . . . . 435 D C . 15796 3 20 . 1 1 81 81 ASP CA C 13 49.570 0.055 . 1 . . . . 435 D CA . 15796 3 21 . 1 1 81 81 ASP CB C 13 40.104 0.001 . 1 . . . . 435 D CB . 15796 3 22 . 1 1 81 81 ASP N N 15 120.304 0.027 . 1 . . . . 435 D N . 15796 3 23 . 1 1 82 82 PRO HA H 1 4.758 0.001 . 1 . . . . 436 P HA . 15796 3 24 . 1 1 82 82 PRO C C 13 172.944 0.001 . 1 . . . . 436 P C . 15796 3 25 . 1 1 82 82 PRO CA C 13 60.134 0.047 . 1 . . . . 436 P CA . 15796 3 26 . 1 1 82 82 PRO CB C 13 31.425 0.035 . 1 . . . . 436 P CB . 15796 3 27 . 1 1 82 82 PRO CG C 13 21.942 0.001 . 1 . . . . 436 P CG . 15796 3 28 . 1 1 83 83 ARG H H 1 8.155 0.004 . 1 . . . . 437 R HN . 15796 3 29 . 1 1 83 83 ARG HA H 1 4.123 0.006 . 1 . . . . 437 R HA . 15796 3 30 . 1 1 83 83 ARG CA C 13 54.955 0.022 . 1 . . . . 437 R CA . 15796 3 31 . 1 1 83 83 ARG CB C 13 28.755 0.001 . 1 . . . . 437 R CB . 15796 3 32 . 1 1 83 83 ARG N N 15 126.527 0.032 . 1 . . . . 437 R N . 15796 3 stop_ save_