data_19913 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19913 _Entry.Title ; NMR Structure of KDM5B PHD1 finger ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-04-16 _Entry.Accession_date 2014-04-16 _Entry.Last_release_date 2014-08-04 _Entry.Original_release_date 2014-08-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Y. Zhang . . . 19913 2 H. Yang . R. . 19913 3 X. Guo . . . 19913 4 N. Rong . Y. . 19913 5 Y. Song . J. . 19913 6 Y. Xu . W. . 19913 7 W. Lan . X. . 19913 8 Y. Xu . H. . 19913 9 C. Cao . Y. . 19913 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 1 'not applicable' 'Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences' . 19913 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID demethylation . 19913 H3K4 . 19913 KDM5B . 19913 PHD1 . 19913 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19913 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 189 19913 '15N chemical shifts' 51 19913 '1H chemical shifts' 301 19913 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-08-04 2014-04-16 original author . 19913 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19914 'KDM5B PHD1 finger in complex with H3K4me0(1-10aa)' 19913 PDB 2MNY 'BMRB Entry Tracking System' 19913 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 19913 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24952722 _Citation.Full_citation . _Citation.Title 'The PHD1 finger of KDM5B recognizes unmodified H3K4 during the demethylation of histone H3K4me2/3 by KDM5B' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Cell' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _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 Y. Zhang . . . 19913 1 2 H. Yang . R. . 19913 1 3 X. Guo . . . 19913 1 4 N. Rong . Y. . 19913 1 5 Y. Song . J. . 19913 1 6 Y. Xu . W. . 19913 1 7 W. Lan . X. . 19913 1 8 Y. Xu . H. . 19913 1 9 C. Cao . Y. . 19913 1 stop_ save_ save_citations_2 _Citation.Sf_category citations _Citation.Sf_framecode citations_2 _Citation.Entry_ID 19913 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The PHD1 finger of KDM5B recognizes unmodified H3K4 during demethylation of histone H3K4me2/3 by KDM5B' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Y. Zhang . . . 19913 2 2 H. Yang . R. . 19913 2 3 X. Guo . . . 19913 2 4 N. Rong . Y. . 19913 2 5 Y. Song . J. . 19913 2 6 Y. Xu . H. . 19913 2 7 C. Cao . Y. . 19913 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19913 _Assembly.ID 1 _Assembly.Name 'KDM5B PHD1 finger' _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 . _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 'PHD1 finger of KDM5B' 1 $PHD1_finger_of_KDM5B A . yes native no no . . . 19913 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 19913 1 3 'ZINC ION_2' 2 $entity_ZN C . no native no no . . . 19913 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PHD1_finger_of_KDM5B _Entity.Sf_category entity _Entity.Sf_framecode PHD1_finger_of_KDM5B _Entity.Entry_ID 19913 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PHD1_finger_of_KDM5B _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 ; AVDLYVCLLCGSGNDEDRLL LCDGCDDSYHTFCLIPPLHD VPKGDWRCPKCLAQE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6133.026 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19914 . entity_1 . . . . . 100.00 55 100.00 100.00 1.77e-30 . . . . 19913 1 2 no PDB 2MNY . "Nmr Structure Of Kdm5b Phd1 Finger" . . . . . 100.00 55 100.00 100.00 1.77e-30 . . . . 19913 1 3 no PDB 2MNZ . "Nmr Structure Of Kdm5b Phd1 Finger In Complex With H3k4me0(1-10aa)" . . . . . 100.00 55 100.00 100.00 1.77e-30 . . . . 19913 1 4 no DBJ BAC30898 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1433 98.18 100.00 2.78e-29 . . . . 19913 1 5 no DBJ BAD90482 . "mKIAA4034 protein [Mus musculus]" . . . . . 100.00 1554 98.18 100.00 3.12e-29 . . . . 19913 1 6 no DBJ BAE37363 . "unnamed protein product [Mus musculus]" . . . . . 100.00 600 98.18 100.00 4.27e-32 . . . . 19913 1 7 no DBJ BAE89761 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 194 100.00 100.00 2.11e-32 . . . . 19913 1 8 no DBJ BAG53706 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1275 100.00 100.00 1.48e-29 . . . . 19913 1 9 no EMBL CAB43532 . "PLU-1 protein [Homo sapiens]" . . . . . 100.00 1544 100.00 100.00 2.61e-29 . . . . 19913 1 10 no EMBL CAB61368 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 1350 100.00 100.00 1.57e-29 . . . . 19913 1 11 no EMBL CAB63108 . "RB-binding protein [Homo sapiens]" . . . . . 100.00 1681 100.00 100.00 2.58e-29 . . . . 19913 1 12 no EMBL CAH65222 . "hypothetical protein RCJMB04_9d3 [Gallus gallus]" . . . . . 100.00 1522 98.18 100.00 6.55e-29 . . . . 19913 1 13 no GB AAD16061 . "retinoblastoma binding protein 2 homolog 1 [Homo sapiens]" . . . . . 100.00 1580 100.00 100.00 2.31e-29 . . . . 19913 1 14 no GB AAH48180 . "Jumonji, AT rich interactive domain 1B (Rbp2 like) [Mus musculus]" . . . . . 100.00 1544 98.18 100.00 3.63e-29 . . . . 19913 1 15 no GB AAH57318 . "Jumonji, AT rich interactive domain 1B (Rbp2 like) [Mus musculus]" . . . . . 100.00 1544 98.18 100.00 3.63e-29 . . . . 19913 1 16 no GB AAI56050 . "Jumonji, AT rich interactive domain 1B, partial [synthetic construct]" . . . . . 100.00 1544 100.00 100.00 2.61e-29 . . . . 19913 1 17 no GB AAI57032 . "Jumonji, AT rich interactive domain 1B [synthetic construct]" . . . . . 100.00 1544 100.00 100.00 2.61e-29 . . . . 19913 1 18 no REF NP_001026200 . "lysine-specific demethylase 5B [Gallus gallus]" . . . . . 100.00 1522 98.18 100.00 6.55e-29 . . . . 19913 1 19 no REF NP_001100647 . "lysine-specific demethylase 5B [Rattus norvegicus]" . . . . . 100.00 1544 98.18 100.00 4.76e-29 . . . . 19913 1 20 no REF NP_001300971 . "lysine-specific demethylase 5B isoform 1 [Homo sapiens]" . . . . . 100.00 1580 100.00 100.00 2.43e-29 . . . . 19913 1 21 no REF NP_006609 . "lysine-specific demethylase 5B isoform 2 [Homo sapiens]" . . . . . 100.00 1544 100.00 100.00 2.61e-29 . . . . 19913 1 22 no REF NP_690855 . "lysine-specific demethylase 5B [Mus musculus]" . . . . . 100.00 1544 98.18 100.00 3.63e-29 . . . . 19913 1 23 no SP Q5F3R2 . "RecName: Full=Lysine-specific demethylase 5B; AltName: Full=Histone demethylase JARID1B; AltName: Full=Jumonji/ARID domain-cont" . . . . . 100.00 1522 98.18 100.00 6.55e-29 . . . . 19913 1 24 no SP Q80Y84 . "RecName: Full=Lysine-specific demethylase 5B; AltName: Full=Histone demethylase JARID1B; AltName: Full=Jumonji/ARID domain-cont" . . . . . 100.00 1544 98.18 100.00 3.63e-29 . . . . 19913 1 25 no SP Q9UGL1 . "RecName: Full=Lysine-specific demethylase 5B; AltName: Full=Cancer/testis antigen 31; Short=CT31; AltName: Full=Histone demethy" . . . . . 100.00 1544 100.00 100.00 2.61e-29 . . . . 19913 1 26 no TPG DAA21261 . "TPA: RB-binding protein-like [Bos taurus]" . . . . . 100.00 1489 98.18 100.00 1.42e-28 . . . . 19913 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 1 306 ALA . 19913 1 2 307 VAL . 19913 1 3 308 ASP . 19913 1 4 309 LEU . 19913 1 5 310 TYR . 19913 1 6 311 VAL . 19913 1 7 312 CYS . 19913 1 8 313 LEU . 19913 1 9 314 LEU . 19913 1 10 315 CYS . 19913 1 11 316 GLY . 19913 1 12 317 SER . 19913 1 13 318 GLY . 19913 1 14 319 ASN . 19913 1 15 320 ASP . 19913 1 16 321 GLU . 19913 1 17 322 ASP . 19913 1 18 323 ARG . 19913 1 19 324 LEU . 19913 1 20 325 LEU . 19913 1 21 326 LEU . 19913 1 22 327 CYS . 19913 1 23 328 ASP . 19913 1 24 329 GLY . 19913 1 25 330 CYS . 19913 1 26 331 ASP . 19913 1 27 332 ASP . 19913 1 28 333 SER . 19913 1 29 334 TYR . 19913 1 30 335 HIS . 19913 1 31 336 THR . 19913 1 32 337 PHE . 19913 1 33 338 CYS . 19913 1 34 339 LEU . 19913 1 35 340 ILE . 19913 1 36 341 PRO . 19913 1 37 342 PRO . 19913 1 38 343 LEU . 19913 1 39 344 HIS . 19913 1 40 345 ASP . 19913 1 41 346 VAL . 19913 1 42 347 PRO . 19913 1 43 348 LYS . 19913 1 44 349 GLY . 19913 1 45 350 ASP . 19913 1 46 351 TRP . 19913 1 47 352 ARG . 19913 1 48 353 CYS . 19913 1 49 354 PRO . 19913 1 50 355 LYS . 19913 1 51 356 CYS . 19913 1 52 357 LEU . 19913 1 53 358 ALA . 19913 1 54 359 GLN . 19913 1 55 360 GLU . 19913 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 19913 1 . VAL 2 2 19913 1 . ASP 3 3 19913 1 . LEU 4 4 19913 1 . TYR 5 5 19913 1 . VAL 6 6 19913 1 . CYS 7 7 19913 1 . LEU 8 8 19913 1 . LEU 9 9 19913 1 . CYS 10 10 19913 1 . GLY 11 11 19913 1 . SER 12 12 19913 1 . GLY 13 13 19913 1 . ASN 14 14 19913 1 . ASP 15 15 19913 1 . GLU 16 16 19913 1 . ASP 17 17 19913 1 . ARG 18 18 19913 1 . LEU 19 19 19913 1 . LEU 20 20 19913 1 . LEU 21 21 19913 1 . CYS 22 22 19913 1 . ASP 23 23 19913 1 . GLY 24 24 19913 1 . CYS 25 25 19913 1 . ASP 26 26 19913 1 . ASP 27 27 19913 1 . SER 28 28 19913 1 . TYR 29 29 19913 1 . HIS 30 30 19913 1 . THR 31 31 19913 1 . PHE 32 32 19913 1 . CYS 33 33 19913 1 . LEU 34 34 19913 1 . ILE 35 35 19913 1 . PRO 36 36 19913 1 . PRO 37 37 19913 1 . LEU 38 38 19913 1 . HIS 39 39 19913 1 . ASP 40 40 19913 1 . VAL 41 41 19913 1 . PRO 42 42 19913 1 . LYS 43 43 19913 1 . GLY 44 44 19913 1 . ASP 45 45 19913 1 . TRP 46 46 19913 1 . ARG 47 47 19913 1 . CYS 48 48 19913 1 . PRO 49 49 19913 1 . LYS 50 50 19913 1 . CYS 51 51 19913 1 . LEU 52 52 19913 1 . ALA 53 53 19913 1 . GLN 54 54 19913 1 . GLU 55 55 19913 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19913 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19913 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19913 2 ZN 'Three letter code' 19913 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 19913 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 19913 _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 $PHD1_finger_of_KDM5B . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . KDM5B . . . . 19913 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 19913 _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 $PHD1_finger_of_KDM5B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pGEX-6p-1 . . . . . . 19913 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 19913 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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=1S/Zn/q+2 InChI InChI 1.03 19913 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19913 ZN [Zn++] SMILES CACTVS 3.341 19913 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19913 ZN [Zn+2] SMILES ACDLabs 10.04 19913 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19913 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19913 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 19913 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19913 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 ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19913 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19913 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM phosphate buffer NA; 90% H2O, 10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PHD1 finger of KDM5B' '[U-13C; U-15N]' . . 1 $PHD1_finger_of_KDM5B . . 0.8 . . mM . . . . 19913 1 2 'Phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 19913 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19913 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19913 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19913 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM phosphate buffer NA; 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'PHD1 finger of KDM5B' '[U-13C; U-15N]' . . 1 $PHD1_finger_of_KDM5B . . 0.8 . . mM . . . . 19913 2 2 'Phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 19913 2 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19913 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 19913 _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' 100 . mM 19913 1 pH 7.2 . pH 19913 1 pressure 1 . atm 19913 1 temperature 293 . K 19913 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19913 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 19913 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19913 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 19913 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 19913 _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 Agilent DD2 . 600 . . . 19913 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 19913 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19913 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19913 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19913 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19913 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19913 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19913 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19913 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19913 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19913 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19913 1 11 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19913 1 12 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19913 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 19913 _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 na indirect 0.251449530 . . . . . . . . . 19913 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19913 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19913 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 19913 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 19913 _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 2 '3D CBCA(CO)NH' . . . 19913 1 5 '3D 1H-15N TOCSY' . . . 19913 1 7 '3D HNCACB' . . . 19913 1 10 '3D HCCH-TOCSY' . . . 19913 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA H H 1 8.304 . . . . . . A 306 ALA H . 19913 1 2 . 1 1 1 1 ALA HA H 1 4.523 . . . . . . A 306 ALA HA . 19913 1 3 . 1 1 1 1 ALA HB1 H 1 1.320 . . . . . . A 306 ALA MB . 19913 1 4 . 1 1 1 1 ALA HB2 H 1 1.320 . . . . . . A 306 ALA MB . 19913 1 5 . 1 1 1 1 ALA HB3 H 1 1.320 . . . . . . A 306 ALA MB . 19913 1 6 . 1 1 1 1 ALA CA C 13 52.562 . . . . . . A 306 ALA CA . 19913 1 7 . 1 1 1 1 ALA CB C 13 19.232 . . . . . . A 306 ALA CB . 19913 1 8 . 1 1 1 1 ALA N N 15 126.686 . . . . . . A 306 ALA N . 19913 1 9 . 1 1 2 2 VAL H H 1 7.872 . . . . . . A 307 VAL H . 19913 1 10 . 1 1 2 2 VAL HA H 1 3.991 . . . . . . A 307 VAL HA . 19913 1 11 . 1 1 2 2 VAL HB H 1 1.962 . . . . . . A 307 VAL HB . 19913 1 12 . 1 1 2 2 VAL HG11 H 1 0.788 . . . . . . A 307 VAL HG12 . 19913 1 13 . 1 1 2 2 VAL HG12 H 1 0.788 . . . . . . A 307 VAL HG12 . 19913 1 14 . 1 1 2 2 VAL HG13 H 1 0.788 . . . . . . A 307 VAL HG12 . 19913 1 15 . 1 1 2 2 VAL C C 13 177.476 . . . . . . A 307 VAL C . 19913 1 16 . 1 1 2 2 VAL CA C 13 62.065 . . . . . . A 307 VAL CA . 19913 1 17 . 1 1 2 2 VAL CB C 13 32.788 . . . . . . A 307 VAL CB . 19913 1 18 . 1 1 2 2 VAL CG1 C 13 20.333 . . . . . . A 307 VAL CG1 . 19913 1 19 . 1 1 2 2 VAL N N 15 118.179 . . . . . . A 307 VAL N . 19913 1 20 . 1 1 3 3 ASP H H 1 8.107 . . . . . . A 308 ASP H . 19913 1 21 . 1 1 3 3 ASP HA H 1 4.404 . . . . . . A 308 ASP HA . 19913 1 22 . 1 1 3 3 ASP HB2 H 1 2.420 . . . . . . A 308 ASP HB2 . 19913 1 23 . 1 1 3 3 ASP C C 13 175.590 . . . . . . A 308 ASP C . 19913 1 24 . 1 1 3 3 ASP CA C 13 54.414 . . . . . . A 308 ASP CA . 19913 1 25 . 1 1 3 3 ASP CB C 13 41.163 . . . . . . A 308 ASP CB . 19913 1 26 . 1 1 3 3 ASP N N 15 123.079 . . . . . . A 308 ASP N . 19913 1 27 . 1 1 4 4 LEU H H 1 7.782 . . . . . . A 309 LEU H . 19913 1 28 . 1 1 4 4 LEU HA H 1 4.122 . . . . . . A 309 LEU HA . 19913 1 29 . 1 1 4 4 LEU HB2 H 1 1.301 . . . . . . A 309 LEU HB2 . 19913 1 30 . 1 1 4 4 LEU HB3 H 1 1.246 . . . . . . A 309 LEU HB3 . 19913 1 31 . 1 1 4 4 LEU HG H 1 1.301 . . . . . . A 309 LEU HG . 19913 1 32 . 1 1 4 4 LEU HD11 H 1 0.711 . . . . . . A 309 LEU HD12 . 19913 1 33 . 1 1 4 4 LEU HD12 H 1 0.711 . . . . . . A 309 LEU HD12 . 19913 1 34 . 1 1 4 4 LEU HD13 H 1 0.711 . . . . . . A 309 LEU HD12 . 19913 1 35 . 1 1 4 4 LEU C C 13 175.120 . . . . . . A 309 LEU C . 19913 1 36 . 1 1 4 4 LEU CA C 13 54.941 . . . . . . A 309 LEU CA . 19913 1 37 . 1 1 4 4 LEU CB C 13 42.747 . . . . . . A 309 LEU CB . 19913 1 38 . 1 1 4 4 LEU CG C 13 26.766 . . . . . . A 309 LEU CG . 19913 1 39 . 1 1 4 4 LEU N N 15 121.827 . . . . . . A 309 LEU N . 19913 1 40 . 1 1 5 5 TYR H H 1 7.972 . . . . . . A 310 TYR H . 19913 1 41 . 1 1 5 5 TYR HA H 1 4.488 . . . . . . A 310 TYR HA . 19913 1 42 . 1 1 5 5 TYR HB2 H 1 2.857 . . . . . . A 310 TYR HB2 . 19913 1 43 . 1 1 5 5 TYR HB3 H 1 2.631 . . . . . . A 310 TYR HB3 . 19913 1 44 . 1 1 5 5 TYR HD1 H 1 7.130 . . . . . . A 310 TYR HD1 . 19913 1 45 . 1 1 5 5 TYR HD2 H 1 7.074 . . . . . . A 310 TYR HD2 . 19913 1 46 . 1 1 5 5 TYR HE1 H 1 6.853 . . . . . . A 310 TYR HE1 . 19913 1 47 . 1 1 5 5 TYR HE2 H 1 6.719 . . . . . . A 310 TYR HE2 . 19913 1 48 . 1 1 5 5 TYR C C 13 176.521 . . . . . . A 310 TYR C . 19913 1 49 . 1 1 5 5 TYR CA C 13 57.274 . . . . . . A 310 TYR CA . 19913 1 50 . 1 1 5 5 TYR CB C 13 38.499 . . . . . . A 310 TYR CB . 19913 1 51 . 1 1 5 5 TYR N N 15 121.643 . . . . . . A 310 TYR N . 19913 1 52 . 1 1 6 6 VAL H H 1 7.770 . . . . . . A 311 VAL H . 19913 1 53 . 1 1 6 6 VAL HA H 1 3.942 . . . . . . A 311 VAL HA . 19913 1 54 . 1 1 6 6 VAL HB H 1 1.429 . . . . . . A 311 VAL HB . 19913 1 55 . 1 1 6 6 VAL HG11 H 1 0.547 . . . . . . A 311 VAL HG12 . 19913 1 56 . 1 1 6 6 VAL HG12 H 1 0.547 . . . . . . A 311 VAL HG12 . 19913 1 57 . 1 1 6 6 VAL HG13 H 1 0.547 . . . . . . A 311 VAL HG12 . 19913 1 58 . 1 1 6 6 VAL HG21 H 1 0.523 . . . . . . A 311 VAL HG22 . 19913 1 59 . 1 1 6 6 VAL HG22 H 1 0.523 . . . . . . A 311 VAL HG22 . 19913 1 60 . 1 1 6 6 VAL HG23 H 1 0.523 . . . . . . A 311 VAL HG22 . 19913 1 61 . 1 1 6 6 VAL C C 13 174.625 . . . . . . A 311 VAL C . 19913 1 62 . 1 1 6 6 VAL CA C 13 59.412 . . . . . . A 311 VAL CA . 19913 1 63 . 1 1 6 6 VAL CB C 13 35.267 . . . . . . A 311 VAL CB . 19913 1 64 . 1 1 6 6 VAL CG1 C 13 21.206 . . . . . . A 311 VAL CG1 . 19913 1 65 . 1 1 6 6 VAL CG2 C 13 19.330 . . . . . . A 311 VAL CG2 . 19913 1 66 . 1 1 6 6 VAL N N 15 116.085 . . . . . . A 311 VAL N . 19913 1 67 . 1 1 7 7 CYS H H 1 7.352 . . . . . . A 312 CYS H . 19913 1 68 . 1 1 7 7 CYS HA H 1 3.687 . . . . . . A 312 CYS HA . 19913 1 69 . 1 1 7 7 CYS HB2 H 1 3.295 . . . . . . A 312 CYS HB2 . 19913 1 70 . 1 1 7 7 CYS HB3 H 1 1.730 . . . . . . A 312 CYS HB3 . 19913 1 71 . 1 1 7 7 CYS C C 13 173.885 . . . . . . A 312 CYS C . 19913 1 72 . 1 1 7 7 CYS CA C 13 58.177 . . . . . . A 312 CYS CA . 19913 1 73 . 1 1 7 7 CYS CB C 13 31.625 . . . . . . A 312 CYS CB . 19913 1 74 . 1 1 7 7 CYS N N 15 125.869 . . . . . . A 312 CYS N . 19913 1 75 . 1 1 8 8 LEU H H 1 8.618 . . . . . . A 313 LEU H . 19913 1 76 . 1 1 8 8 LEU HA H 1 3.837 . . . . . . A 313 LEU HA . 19913 1 77 . 1 1 8 8 LEU HB2 H 1 1.036 . . . . . . A 313 LEU HB2 . 19913 1 78 . 1 1 8 8 LEU HB3 H 1 1.286 . . . . . . A 313 LEU HB3 . 19913 1 79 . 1 1 8 8 LEU HD11 H 1 0.138 . . . . . . A 313 LEU HD12 . 19913 1 80 . 1 1 8 8 LEU HD12 H 1 0.138 . . . . . . A 313 LEU HD12 . 19913 1 81 . 1 1 8 8 LEU HD13 H 1 0.138 . . . . . . A 313 LEU HD12 . 19913 1 82 . 1 1 8 8 LEU HD21 H 1 0.782 . . . . . . A 313 LEU HD22 . 19913 1 83 . 1 1 8 8 LEU HD22 H 1 0.782 . . . . . . A 313 LEU HD22 . 19913 1 84 . 1 1 8 8 LEU HD23 H 1 0.782 . . . . . . A 313 LEU HD22 . 19913 1 85 . 1 1 8 8 LEU C C 13 177.490 . . . . . . A 313 LEU C . 19913 1 86 . 1 1 8 8 LEU CA C 13 57.097 . . . . . . A 313 LEU CA . 19913 1 87 . 1 1 8 8 LEU CB C 13 42.940 . . . . . . A 313 LEU CB . 19913 1 88 . 1 1 8 8 LEU CD2 C 13 24.434 . . . . . . A 313 LEU CD2 . 19913 1 89 . 1 1 8 8 LEU N N 15 131.350 . . . . . . A 313 LEU N . 19913 1 90 . 1 1 9 9 LEU H H 1 8.416 . . . . . . A 314 LEU H . 19913 1 91 . 1 1 9 9 LEU HA H 1 4.379 . . . . . . A 314 LEU HA . 19913 1 92 . 1 1 9 9 LEU HB2 H 1 1.748 . . . . . . A 314 LEU HB2 . 19913 1 93 . 1 1 9 9 LEU HB3 H 1 1.602 . . . . . . A 314 LEU HB3 . 19913 1 94 . 1 1 9 9 LEU HG H 1 1.771 . . . . . . A 314 LEU HG . 19913 1 95 . 1 1 9 9 LEU HD11 H 1 0.928 . . . . . . A 314 LEU HD12 . 19913 1 96 . 1 1 9 9 LEU HD12 H 1 0.928 . . . . . . A 314 LEU HD12 . 19913 1 97 . 1 1 9 9 LEU HD13 H 1 0.928 . . . . . . A 314 LEU HD12 . 19913 1 98 . 1 1 9 9 LEU HD21 H 1 1.025 . . . . . . A 314 LEU HD22 . 19913 1 99 . 1 1 9 9 LEU HD22 H 1 1.025 . . . . . . A 314 LEU HD22 . 19913 1 100 . 1 1 9 9 LEU HD23 H 1 1.025 . . . . . . A 314 LEU HD22 . 19913 1 101 . 1 1 9 9 LEU C C 13 178.028 . . . . . . A 314 LEU C . 19913 1 102 . 1 1 9 9 LEU CA C 13 56.444 . . . . . . A 314 LEU CA . 19913 1 103 . 1 1 9 9 LEU CB C 13 42.651 . . . . . . A 314 LEU CB . 19913 1 104 . 1 1 9 9 LEU CG C 13 27.240 . . . . . . A 314 LEU CG . 19913 1 105 . 1 1 9 9 LEU CD1 C 13 22.121 . . . . . . A 314 LEU CD1 . 19913 1 106 . 1 1 9 9 LEU CD2 C 13 26.355 . . . . . . A 314 LEU CD2 . 19913 1 107 . 1 1 9 9 LEU N N 15 118.835 . . . . . . A 314 LEU N . 19913 1 108 . 1 1 10 10 CYS H H 1 8.083 . . . . . . A 315 CYS H . 19913 1 109 . 1 1 10 10 CYS HA H 1 4.987 . . . . . . A 315 CYS HA . 19913 1 110 . 1 1 10 10 CYS HB2 H 1 3.229 . . . . . . A 315 CYS HB2 . 19913 1 111 . 1 1 10 10 CYS HB3 H 1 3.068 . . . . . . A 315 CYS HB3 . 19913 1 112 . 1 1 10 10 CYS C C 13 178.187 . . . . . . A 315 CYS C . 19913 1 113 . 1 1 10 10 CYS CA C 13 58.518 . . . . . . A 315 CYS CA . 19913 1 114 . 1 1 10 10 CYS CB C 13 31.441 . . . . . . A 315 CYS CB . 19913 1 115 . 1 1 10 10 CYS N N 15 117.699 . . . . . . A 315 CYS N . 19913 1 116 . 1 1 11 11 GLY H H 1 7.964 . . . . . . A 316 GLY H . 19913 1 117 . 1 1 11 11 GLY HA2 H 1 4.034 . . . . . . A 316 GLY HA2 . 19913 1 118 . 1 1 11 11 GLY HA3 H 1 3.709 . . . . . . A 316 GLY HA3 . 19913 1 119 . 1 1 11 11 GLY C C 13 177.322 . . . . . . A 316 GLY C . 19913 1 120 . 1 1 11 11 GLY CA C 13 46.379 . . . . . . A 316 GLY CA . 19913 1 121 . 1 1 11 11 GLY N N 15 113.759 . . . . . . A 316 GLY N . 19913 1 122 . 1 1 12 12 SER H H 1 8.396 . . . . . . A 317 SER H . 19913 1 123 . 1 1 12 12 SER HA H 1 4.799 . . . . . . A 317 SER HA . 19913 1 124 . 1 1 12 12 SER HB2 H 1 3.893 . . . . . . A 317 SER HB2 . 19913 1 125 . 1 1 12 12 SER HB3 H 1 4.180 . . . . . . A 317 SER HB3 . 19913 1 126 . 1 1 12 12 SER C C 13 173.213 . . . . . . A 317 SER C . 19913 1 127 . 1 1 12 12 SER CA C 13 56.714 . . . . . . A 317 SER CA . 19913 1 128 . 1 1 12 12 SER CB C 13 65.016 . . . . . . A 317 SER CB . 19913 1 129 . 1 1 12 12 SER N N 15 116.224 . . . . . . A 317 SER N . 19913 1 130 . 1 1 13 13 GLY H H 1 8.995 . . . . . . A 318 GLY H . 19913 1 131 . 1 1 13 13 GLY HA2 H 1 4.580 . . . . . . A 318 GLY HA2 . 19913 1 132 . 1 1 13 13 GLY HA3 H 1 3.640 . . . . . . A 318 GLY HA3 . 19913 1 133 . 1 1 13 13 GLY C C 13 175.280 . . . . . . A 318 GLY C . 19913 1 134 . 1 1 13 13 GLY CA C 13 44.964 . . . . . . A 318 GLY CA . 19913 1 135 . 1 1 13 13 GLY N N 15 115.779 . . . . . . A 318 GLY N . 19913 1 136 . 1 1 14 14 ASN H H 1 8.100 . . . . . . A 319 ASN H . 19913 1 137 . 1 1 14 14 ASN HA H 1 4.755 . . . . . . A 319 ASN HA . 19913 1 138 . 1 1 14 14 ASN HB2 H 1 2.888 . . . . . . A 319 ASN HB2 . 19913 1 139 . 1 1 14 14 ASN HB3 H 1 2.687 . . . . . . A 319 ASN HB3 . 19913 1 140 . 1 1 14 14 ASN HD21 H 1 6.909 . . . . . . A 319 ASN HD21 . 19913 1 141 . 1 1 14 14 ASN HD22 H 1 7.681 . . . . . . A 319 ASN HD22 . 19913 1 142 . 1 1 14 14 ASN C C 13 174.299 . . . . . . A 319 ASN C . 19913 1 143 . 1 1 14 14 ASN CA C 13 52.580 . . . . . . A 319 ASN CA . 19913 1 144 . 1 1 14 14 ASN CB C 13 38.665 . . . . . . A 319 ASN CB . 19913 1 145 . 1 1 14 14 ASN N N 15 117.359 . . . . . . A 319 ASN N . 19913 1 146 . 1 1 14 14 ASN ND2 N 15 113.587 . . . . . . A 319 ASN ND2 . 19913 1 147 . 1 1 15 15 ASP H H 1 9.018 . . . . . . A 320 ASP H . 19913 1 148 . 1 1 15 15 ASP HA H 1 4.273 . . . . . . A 320 ASP HA . 19913 1 149 . 1 1 15 15 ASP HB2 H 1 2.808 . . . . . . A 320 ASP HB2 . 19913 1 150 . 1 1 15 15 ASP HB3 H 1 2.549 . . . . . . A 320 ASP HB3 . 19913 1 151 . 1 1 15 15 ASP C C 13 173.489 . . . . . . A 320 ASP C . 19913 1 152 . 1 1 15 15 ASP CA C 13 55.882 . . . . . . A 320 ASP CA . 19913 1 153 . 1 1 15 15 ASP CB C 13 40.111 . . . . . . A 320 ASP CB . 19913 1 154 . 1 1 15 15 ASP N N 15 117.365 . . . . . . A 320 ASP N . 19913 1 155 . 1 1 16 16 GLU H H 1 9.270 . . . . . . A 321 GLU H . 19913 1 156 . 1 1 16 16 GLU HA H 1 3.803 . . . . . . A 321 GLU HA . 19913 1 157 . 1 1 16 16 GLU HB2 H 1 2.099 . . . . . . A 321 GLU HB2 . 19913 1 158 . 1 1 16 16 GLU HB3 H 1 2.012 . . . . . . A 321 GLU HB3 . 19913 1 159 . 1 1 16 16 GLU HG2 H 1 2.324 . . . . . . A 321 GLU HG2 . 19913 1 160 . 1 1 16 16 GLU HG3 H 1 2.391 . . . . . . A 321 GLU HG3 . 19913 1 161 . 1 1 16 16 GLU C C 13 177.041 . . . . . . A 321 GLU C . 19913 1 162 . 1 1 16 16 GLU CA C 13 59.903 . . . . . . A 321 GLU CA . 19913 1 163 . 1 1 16 16 GLU CB C 13 28.634 . . . . . . A 321 GLU CB . 19913 1 164 . 1 1 16 16 GLU CG C 13 35.954 . . . . . . A 321 GLU CG . 19913 1 165 . 1 1 16 16 GLU N N 15 117.886 . . . . . . A 321 GLU N . 19913 1 166 . 1 1 17 17 ASP H H 1 8.963 . . . . . . A 322 ASP H . 19913 1 167 . 1 1 17 17 ASP HA H 1 4.357 . . . . . . A 322 ASP HA . 19913 1 168 . 1 1 17 17 ASP HB2 H 1 2.642 . . . . . . A 322 ASP HB2 . 19913 1 169 . 1 1 17 17 ASP HB3 H 1 2.675 . . . . . . A 322 ASP HB3 . 19913 1 170 . 1 1 17 17 ASP C C 13 178.105 . . . . . . A 322 ASP C . 19913 1 171 . 1 1 17 17 ASP CA C 13 55.433 . . . . . . A 322 ASP CA . 19913 1 172 . 1 1 17 17 ASP CB C 13 39.282 . . . . . . A 322 ASP CB . 19913 1 173 . 1 1 17 17 ASP N N 15 118.832 . . . . . . A 322 ASP N . 19913 1 174 . 1 1 18 18 ARG H H 1 8.036 . . . . . . A 323 ARG H . 19913 1 175 . 1 1 18 18 ARG HA H 1 4.305 . . . . . . A 323 ARG HA . 19913 1 176 . 1 1 18 18 ARG HB2 H 1 1.649 . . . . . . A 323 ARG HB2 . 19913 1 177 . 1 1 18 18 ARG HG2 H 1 1.598 . . . . . . A 323 ARG HG2 . 19913 1 178 . 1 1 18 18 ARG HD2 H 1 3.178 . . . . . . A 323 ARG HD2 . 19913 1 179 . 1 1 18 18 ARG HD3 H 1 3.093 . . . . . . A 323 ARG HD3 . 19913 1 180 . 1 1 18 18 ARG C C 13 176.878 . . . . . . A 323 ARG C . 19913 1 181 . 1 1 18 18 ARG CA C 13 54.828 . . . . . . A 323 ARG CA . 19913 1 182 . 1 1 18 18 ARG CB C 13 30.492 . . . . . . A 323 ARG CB . 19913 1 183 . 1 1 18 18 ARG CG C 13 27.609 . . . . . . A 323 ARG CG . 19913 1 184 . 1 1 18 18 ARG CD C 13 43.576 . . . . . . A 323 ARG CD . 19913 1 185 . 1 1 18 18 ARG N N 15 119.537 . . . . . . A 323 ARG N . 19913 1 186 . 1 1 19 19 LEU H H 1 7.184 . . . . . . A 324 LEU H . 19913 1 187 . 1 1 19 19 LEU HA H 1 4.128 . . . . . . A 324 LEU HA . 19913 1 188 . 1 1 19 19 LEU HB2 H 1 1.190 . . . . . . A 324 LEU HB2 . 19913 1 189 . 1 1 19 19 LEU HB3 H 1 1.590 . . . . . . A 324 LEU HB3 . 19913 1 190 . 1 1 19 19 LEU HG H 1 1.087 . . . . . . A 324 LEU HG . 19913 1 191 . 1 1 19 19 LEU HD11 H 1 0.165 . . . . . . A 324 LEU HD12 . 19913 1 192 . 1 1 19 19 LEU HD12 H 1 0.165 . . . . . . A 324 LEU HD12 . 19913 1 193 . 1 1 19 19 LEU HD13 H 1 0.165 . . . . . . A 324 LEU HD12 . 19913 1 194 . 1 1 19 19 LEU HD21 H 1 0.262 . . . . . . A 324 LEU HD22 . 19913 1 195 . 1 1 19 19 LEU HD22 H 1 0.262 . . . . . . A 324 LEU HD22 . 19913 1 196 . 1 1 19 19 LEU HD23 H 1 0.262 . . . . . . A 324 LEU HD22 . 19913 1 197 . 1 1 19 19 LEU C C 13 173.644 . . . . . . A 324 LEU C . 19913 1 198 . 1 1 19 19 LEU CA C 13 54.516 . . . . . . A 324 LEU CA . 19913 1 199 . 1 1 19 19 LEU CB C 13 43.186 . . . . . . A 324 LEU CB . 19913 1 200 . 1 1 19 19 LEU CG C 13 25.773 . . . . . . A 324 LEU CG . 19913 1 201 . 1 1 19 19 LEU CD1 C 13 24.110 . . . . . . A 324 LEU CD1 . 19913 1 202 . 1 1 19 19 LEU CD2 C 13 24.966 . . . . . . A 324 LEU CD2 . 19913 1 203 . 1 1 19 19 LEU N N 15 122.512 . . . . . . A 324 LEU N . 19913 1 204 . 1 1 20 20 LEU H H 1 8.663 . . . . . . A 325 LEU H . 19913 1 205 . 1 1 20 20 LEU HA H 1 4.085 . . . . . . A 325 LEU HA . 19913 1 206 . 1 1 20 20 LEU HB2 H 1 0.943 . . . . . . A 325 LEU HB2 . 19913 1 207 . 1 1 20 20 LEU HB3 H 1 0.399 . . . . . . A 325 LEU HB3 . 19913 1 208 . 1 1 20 20 LEU HD11 H 1 -0.597 . . . . . . A 325 LEU HD12 . 19913 1 209 . 1 1 20 20 LEU HD12 H 1 -0.597 . . . . . . A 325 LEU HD12 . 19913 1 210 . 1 1 20 20 LEU HD13 H 1 -0.597 . . . . . . A 325 LEU HD12 . 19913 1 211 . 1 1 20 20 LEU HD21 H 1 0.212 . . . . . . A 325 LEU HD22 . 19913 1 212 . 1 1 20 20 LEU HD22 H 1 0.212 . . . . . . A 325 LEU HD22 . 19913 1 213 . 1 1 20 20 LEU HD23 H 1 0.212 . . . . . . A 325 LEU HD22 . 19913 1 214 . 1 1 20 20 LEU C C 13 174.639 . . . . . . A 325 LEU C . 19913 1 215 . 1 1 20 20 LEU CA C 13 53.501 . . . . . . A 325 LEU CA . 19913 1 216 . 1 1 20 20 LEU CB C 13 42.882 . . . . . . A 325 LEU CB . 19913 1 217 . 1 1 20 20 LEU CD1 C 13 24.571 . . . . . . A 325 LEU CD1 . 19913 1 218 . 1 1 20 20 LEU CD2 C 13 23.110 . . . . . . A 325 LEU CD2 . 19913 1 219 . 1 1 20 20 LEU N N 15 127.850 . . . . . . A 325 LEU N . 19913 1 220 . 1 1 21 21 LEU H H 1 8.139 . . . . . . A 326 LEU H . 19913 1 221 . 1 1 21 21 LEU HB2 H 1 1.529 . . . . . . A 326 LEU HB2 . 19913 1 222 . 1 1 21 21 LEU HB3 H 1 1.224 . . . . . . A 326 LEU HB3 . 19913 1 223 . 1 1 21 21 LEU HD11 H 1 0.536 . . . . . . A 326 LEU HD12 . 19913 1 224 . 1 1 21 21 LEU HD12 H 1 0.536 . . . . . . A 326 LEU HD12 . 19913 1 225 . 1 1 21 21 LEU HD13 H 1 0.536 . . . . . . A 326 LEU HD12 . 19913 1 226 . 1 1 21 21 LEU C C 13 175.138 . . . . . . A 326 LEU C . 19913 1 227 . 1 1 21 21 LEU CA C 13 53.510 . . . . . . A 326 LEU CA . 19913 1 228 . 1 1 21 21 LEU CB C 13 43.439 . . . . . . A 326 LEU CB . 19913 1 229 . 1 1 21 21 LEU CD1 C 13 23.661 . . . . . . A 326 LEU CD1 . 19913 1 230 . 1 1 21 21 LEU N N 15 123.988 . . . . . . A 326 LEU N . 19913 1 231 . 1 1 22 22 CYS H H 1 8.955 . . . . . . A 327 CYS H . 19913 1 232 . 1 1 22 22 CYS HA H 1 4.669 . . . . . . A 327 CYS HA . 19913 1 233 . 1 1 22 22 CYS HB2 H 1 3.491 . . . . . . A 327 CYS HB2 . 19913 1 234 . 1 1 22 22 CYS HB3 H 1 2.862 . . . . . . A 327 CYS HB3 . 19913 1 235 . 1 1 22 22 CYS C C 13 176.283 . . . . . . A 327 CYS C . 19913 1 236 . 1 1 22 22 CYS CA C 13 60.241 . . . . . . A 327 CYS CA . 19913 1 237 . 1 1 22 22 CYS CB C 13 30.977 . . . . . . A 327 CYS CB . 19913 1 238 . 1 1 22 22 CYS N N 15 129.096 . . . . . . A 327 CYS N . 19913 1 239 . 1 1 23 23 ASP H H 1 9.120 . . . . . . A 328 ASP H . 19913 1 240 . 1 1 23 23 ASP HA H 1 4.548 . . . . . . A 328 ASP HA . 19913 1 241 . 1 1 23 23 ASP HB2 H 1 2.644 . . . . . . A 328 ASP HB2 . 19913 1 242 . 1 1 23 23 ASP HB3 H 1 2.577 . . . . . . A 328 ASP HB3 . 19913 1 243 . 1 1 23 23 ASP C C 13 176.845 . . . . . . A 328 ASP C . 19913 1 244 . 1 1 23 23 ASP CA C 13 56.716 . . . . . . A 328 ASP CA . 19913 1 245 . 1 1 23 23 ASP CB C 13 41.709 . . . . . . A 328 ASP CB . 19913 1 246 . 1 1 23 23 ASP N N 15 130.207 . . . . . . A 328 ASP N . 19913 1 247 . 1 1 24 24 GLY H H 1 9.925 . . . . . . A 329 GLY H . 19913 1 248 . 1 1 24 24 GLY HA2 H 1 4.025 . . . . . . A 329 GLY HA2 . 19913 1 249 . 1 1 24 24 GLY HA3 H 1 3.993 . . . . . . A 329 GLY HA3 . 19913 1 250 . 1 1 24 24 GLY C C 13 176.990 . . . . . . A 329 GLY C . 19913 1 251 . 1 1 24 24 GLY CA C 13 46.091 . . . . . . A 329 GLY CA . 19913 1 252 . 1 1 24 24 GLY N N 15 113.572 . . . . . . A 329 GLY N . 19913 1 253 . 1 1 25 25 CYS H H 1 7.754 . . . . . . A 330 CYS H . 19913 1 254 . 1 1 25 25 CYS HA H 1 4.750 . . . . . . A 330 CYS HA . 19913 1 255 . 1 1 25 25 CYS HB2 H 1 3.044 . . . . . . A 330 CYS HB2 . 19913 1 256 . 1 1 25 25 CYS HB3 H 1 2.394 . . . . . . A 330 CYS HB3 . 19913 1 257 . 1 1 25 25 CYS C C 13 174.598 . . . . . . A 330 CYS C . 19913 1 258 . 1 1 25 25 CYS CA C 13 58.591 . . . . . . A 330 CYS CA . 19913 1 259 . 1 1 25 25 CYS CB C 13 32.793 . . . . . . A 330 CYS CB . 19913 1 260 . 1 1 25 25 CYS N N 15 120.909 . . . . . . A 330 CYS N . 19913 1 261 . 1 1 26 26 ASP H H 1 8.124 . . . . . . A 331 ASP H . 19913 1 262 . 1 1 26 26 ASP HA H 1 4.630 . . . . . . A 331 ASP HA . 19913 1 263 . 1 1 26 26 ASP HB2 H 1 2.686 . . . . . . A 331 ASP HB2 . 19913 1 264 . 1 1 26 26 ASP HB3 H 1 3.017 . . . . . . A 331 ASP HB3 . 19913 1 265 . 1 1 26 26 ASP C C 13 175.019 . . . . . . A 331 ASP C . 19913 1 266 . 1 1 26 26 ASP CA C 13 56.240 . . . . . . A 331 ASP CA . 19913 1 267 . 1 1 26 26 ASP CB C 13 41.098 . . . . . . A 331 ASP CB . 19913 1 268 . 1 1 26 26 ASP N N 15 119.370 . . . . . . A 331 ASP N . 19913 1 269 . 1 1 27 27 ASP H H 1 8.655 . . . . . . A 332 ASP H . 19913 1 270 . 1 1 27 27 ASP HA H 1 4.784 . . . . . . A 332 ASP HA . 19913 1 271 . 1 1 27 27 ASP HB2 H 1 2.476 . . . . . . A 332 ASP HB2 . 19913 1 272 . 1 1 27 27 ASP HB3 H 1 3.050 . . . . . . A 332 ASP HB3 . 19913 1 273 . 1 1 27 27 ASP C C 13 174.899 . . . . . . A 332 ASP C . 19913 1 274 . 1 1 27 27 ASP CA C 13 55.577 . . . . . . A 332 ASP CA . 19913 1 275 . 1 1 27 27 ASP CB C 13 42.723 . . . . . . A 332 ASP CB . 19913 1 276 . 1 1 27 27 ASP N N 15 123.056 . . . . . . A 332 ASP N . 19913 1 277 . 1 1 28 28 SER H H 1 8.048 . . . . . . A 333 SER H . 19913 1 278 . 1 1 28 28 SER HA H 1 5.805 . . . . . . A 333 SER HA . 19913 1 279 . 1 1 28 28 SER HB2 H 1 3.364 . . . . . . A 333 SER HB2 . 19913 1 280 . 1 1 28 28 SER HB3 H 1 3.285 . . . . . . A 333 SER HB3 . 19913 1 281 . 1 1 28 28 SER C C 13 175.056 . . . . . . A 333 SER C . 19913 1 282 . 1 1 28 28 SER CA C 13 56.956 . . . . . . A 333 SER CA . 19913 1 283 . 1 1 28 28 SER CB C 13 65.816 . . . . . . A 333 SER CB . 19913 1 284 . 1 1 28 28 SER N N 15 114.384 . . . . . . A 333 SER N . 19913 1 285 . 1 1 29 29 TYR H H 1 8.524 . . . . . . A 334 TYR H . 19913 1 286 . 1 1 29 29 TYR HA H 1 5.348 . . . . . . A 334 TYR HA . 19913 1 287 . 1 1 29 29 TYR HB2 H 1 2.506 . . . . . . A 334 TYR HB2 . 19913 1 288 . 1 1 29 29 TYR HB3 H 1 2.483 . . . . . . A 334 TYR HB3 . 19913 1 289 . 1 1 29 29 TYR HD2 H 1 7.065 . . . . . . A 334 TYR HD2 . 19913 1 290 . 1 1 29 29 TYR HE2 H 1 6.779 . . . . . . A 334 TYR HE2 . 19913 1 291 . 1 1 29 29 TYR C C 13 172.769 . . . . . . A 334 TYR C . 19913 1 292 . 1 1 29 29 TYR CA C 13 56.301 . . . . . . A 334 TYR CA . 19913 1 293 . 1 1 29 29 TYR CB C 13 44.519 . . . . . . A 334 TYR CB . 19913 1 294 . 1 1 29 29 TYR N N 15 119.063 . . . . . . A 334 TYR N . 19913 1 295 . 1 1 30 30 HIS H H 1 9.094 . . . . . . A 335 HIS H . 19913 1 296 . 1 1 30 30 HIS HA H 1 5.073 . . . . . . A 335 HIS HA . 19913 1 297 . 1 1 30 30 HIS HB2 H 1 2.846 . . . . . . A 335 HIS HB2 . 19913 1 298 . 1 1 30 30 HIS HB3 H 1 1.220 . . . . . . A 335 HIS HB3 . 19913 1 299 . 1 1 30 30 HIS HD2 H 1 6.543 . . . . . . A 335 HIS HD2 . 19913 1 300 . 1 1 30 30 HIS HE1 H 1 7.502 . . . . . . A 335 HIS HE1 . 19913 1 301 . 1 1 30 30 HIS C C 13 176.248 . . . . . . A 335 HIS C . 19913 1 302 . 1 1 30 30 HIS CA C 13 57.819 . . . . . . A 335 HIS CA . 19913 1 303 . 1 1 30 30 HIS CB C 13 30.751 . . . . . . A 335 HIS CB . 19913 1 304 . 1 1 30 30 HIS N N 15 122.478 . . . . . . A 335 HIS N . 19913 1 305 . 1 1 31 31 THR H H 1 8.774 . . . . . . A 336 THR H . 19913 1 306 . 1 1 31 31 THR HA H 1 3.540 . . . . . . A 336 THR HA . 19913 1 307 . 1 1 31 31 THR HB H 1 4.335 . . . . . . A 336 THR HB . 19913 1 308 . 1 1 31 31 THR C C 13 178.618 . . . . . . A 336 THR C . 19913 1 309 . 1 1 31 31 THR CA C 13 64.925 . . . . . . A 336 THR CA . 19913 1 310 . 1 1 31 31 THR CB C 13 66.144 . . . . . . A 336 THR CB . 19913 1 311 . 1 1 31 31 THR N N 15 113.249 . . . . . . A 336 THR N . 19913 1 312 . 1 1 32 32 PHE H H 1 6.404 . . . . . . A 337 PHE H . 19913 1 313 . 1 1 32 32 PHE HA H 1 4.614 . . . . . . A 337 PHE HA . 19913 1 314 . 1 1 32 32 PHE HB2 H 1 2.852 . . . . . . A 337 PHE HB2 . 19913 1 315 . 1 1 32 32 PHE HB3 H 1 3.448 . . . . . . A 337 PHE HB3 . 19913 1 316 . 1 1 32 32 PHE HD2 H 1 7.142 . . . . . . A 337 PHE HD2 . 19913 1 317 . 1 1 32 32 PHE HE2 H 1 6.984 . . . . . . A 337 PHE HE2 . 19913 1 318 . 1 1 32 32 PHE HZ H 1 6.282 . . . . . . A 337 PHE HZ . 19913 1 319 . 1 1 32 32 PHE C C 13 176.411 . . . . . . A 337 PHE C . 19913 1 320 . 1 1 32 32 PHE CA C 13 56.120 . . . . . . A 337 PHE CA . 19913 1 321 . 1 1 32 32 PHE CB C 13 37.613 . . . . . . A 337 PHE CB . 19913 1 322 . 1 1 32 32 PHE N N 15 111.508 . . . . . . A 337 PHE N . 19913 1 323 . 1 1 33 33 CYS H H 1 7.242 . . . . . . A 338 CYS H . 19913 1 324 . 1 1 33 33 CYS HA H 1 4.333 . . . . . . A 338 CYS HA . 19913 1 325 . 1 1 33 33 CYS HB2 H 1 2.646 . . . . . . A 338 CYS HB2 . 19913 1 326 . 1 1 33 33 CYS HB3 H 1 3.194 . . . . . . A 338 CYS HB3 . 19913 1 327 . 1 1 33 33 CYS C C 13 176.704 . . . . . . A 338 CYS C . 19913 1 328 . 1 1 33 33 CYS CA C 13 61.911 . . . . . . A 338 CYS CA . 19913 1 329 . 1 1 33 33 CYS CB C 13 31.093 . . . . . . A 338 CYS CB . 19913 1 330 . 1 1 33 33 CYS N N 15 123.999 . . . . . . A 338 CYS N . 19913 1 331 . 1 1 34 34 LEU H H 1 6.373 . . . . . . A 339 LEU H . 19913 1 332 . 1 1 34 34 LEU HA H 1 3.905 . . . . . . A 339 LEU HA . 19913 1 333 . 1 1 34 34 LEU HB2 H 1 1.360 . . . . . . A 339 LEU HB2 . 19913 1 334 . 1 1 34 34 LEU HB3 H 1 1.635 . . . . . . A 339 LEU HB3 . 19913 1 335 . 1 1 34 34 LEU HD11 H 1 0.649 . . . . . . A 339 LEU HD12 . 19913 1 336 . 1 1 34 34 LEU HD12 H 1 0.649 . . . . . . A 339 LEU HD12 . 19913 1 337 . 1 1 34 34 LEU HD13 H 1 0.649 . . . . . . A 339 LEU HD12 . 19913 1 338 . 1 1 34 34 LEU C C 13 174.380 . . . . . . A 339 LEU C . 19913 1 339 . 1 1 34 34 LEU CA C 13 55.500 . . . . . . A 339 LEU CA . 19913 1 340 . 1 1 34 34 LEU CB C 13 44.091 . . . . . . A 339 LEU CB . 19913 1 341 . 1 1 34 34 LEU CD1 C 13 23.410 . . . . . . A 339 LEU CD1 . 19913 1 342 . 1 1 34 34 LEU N N 15 119.805 . . . . . . A 339 LEU N . 19913 1 343 . 1 1 35 35 ILE H H 1 7.902 . . . . . . A 340 ILE H . 19913 1 344 . 1 1 35 35 ILE HA H 1 4.187 . . . . . . A 340 ILE HA . 19913 1 345 . 1 1 35 35 ILE HB H 1 1.671 . . . . . . A 340 ILE HB . 19913 1 346 . 1 1 35 35 ILE HG12 H 1 0.905 . . . . . . A 340 ILE HG12 . 19913 1 347 . 1 1 35 35 ILE HD11 H 1 0.821 . . . . . . A 340 ILE HD12 . 19913 1 348 . 1 1 35 35 ILE HD12 H 1 0.821 . . . . . . A 340 ILE HD12 . 19913 1 349 . 1 1 35 35 ILE HD13 H 1 0.760 . . . . . . A 340 ILE HD13 . 19913 1 350 . 1 1 35 35 ILE C C 13 175.079 . . . . . . A 340 ILE C . 19913 1 351 . 1 1 35 35 ILE CA C 13 57.800 . . . . . . A 340 ILE CA . 19913 1 352 . 1 1 35 35 ILE CB C 13 40.240 . . . . . . A 340 ILE CB . 19913 1 353 . 1 1 35 35 ILE CG1 C 13 27.043 . . . . . . A 340 ILE CG1 . 19913 1 354 . 1 1 35 35 ILE CG2 C 13 17.208 . . . . . . A 340 ILE CG2 . 19913 1 355 . 1 1 35 35 ILE CD1 C 13 12.777 . . . . . . A 340 ILE CD1 . 19913 1 356 . 1 1 35 35 ILE N N 15 118.573 . . . . . . A 340 ILE N . 19913 1 357 . 1 1 37 37 PRO HB2 H 1 2.175 . . . . . . A 342 PRO HB2 . 19913 1 358 . 1 1 37 37 PRO CA C 13 62.879 . . . . . . A 342 PRO CA . 19913 1 359 . 1 1 37 37 PRO CB C 13 32.179 . . . . . . A 342 PRO CB . 19913 1 360 . 1 1 38 38 LEU H H 1 7.545 . . . . . . A 343 LEU H . 19913 1 361 . 1 1 38 38 LEU HA H 1 4.409 . . . . . . A 343 LEU HA . 19913 1 362 . 1 1 38 38 LEU HB2 H 1 1.510 . . . . . . A 343 LEU HB2 . 19913 1 363 . 1 1 38 38 LEU HB3 H 1 1.247 . . . . . . A 343 LEU HB3 . 19913 1 364 . 1 1 38 38 LEU HD11 H 1 0.781 . . . . . . A 343 LEU HD1 . 19913 1 365 . 1 1 38 38 LEU HD12 H 1 0.781 . . . . . . A 343 LEU HD1 . 19913 1 366 . 1 1 38 38 LEU HD13 H 1 0.781 . . . . . . A 343 LEU HD1 . 19913 1 367 . 1 1 38 38 LEU HD21 H 1 0.710 . . . . . . A 343 LEU HD2 . 19913 1 368 . 1 1 38 38 LEU HD22 H 1 0.710 . . . . . . A 343 LEU HD2 . 19913 1 369 . 1 1 38 38 LEU HD23 H 1 0.710 . . . . . . A 343 LEU HD2 . 19913 1 370 . 1 1 38 38 LEU C C 13 177.584 . . . . . . A 343 LEU C . 19913 1 371 . 1 1 38 38 LEU CA C 13 53.509 . . . . . . A 343 LEU CA . 19913 1 372 . 1 1 38 38 LEU CB C 13 43.383 . . . . . . A 343 LEU CB . 19913 1 373 . 1 1 38 38 LEU CD1 C 13 21.139 . . . . . . A 343 LEU CD1 . 19913 1 374 . 1 1 38 38 LEU CD2 C 13 25.654 . . . . . . A 343 LEU CD2 . 19913 1 375 . 1 1 38 38 LEU N N 15 120.513 . . . . . . A 343 LEU N . 19913 1 376 . 1 1 39 39 HIS HA H 1 4.348 . . . . . . A 344 HIS HA . 19913 1 377 . 1 1 39 39 HIS HD2 H 1 7.062 . . . . . . A 344 HIS HD2 . 19913 1 378 . 1 1 39 39 HIS HE1 H 1 7.920 . . . . . . A 344 HIS HE1 . 19913 1 379 . 1 1 39 39 HIS CA C 13 57.627 . . . . . . A 344 HIS CA . 19913 1 380 . 1 1 39 39 HIS CB C 13 30.363 . . . . . . A 344 HIS CB . 19913 1 381 . 1 1 40 40 ASP H H 1 7.611 . . . . . . A 345 ASP H . 19913 1 382 . 1 1 40 40 ASP HA H 1 4.740 . . . . . . A 345 ASP HA . 19913 1 383 . 1 1 40 40 ASP HB2 H 1 2.462 . . . . . . A 345 ASP HB2 . 19913 1 384 . 1 1 40 40 ASP HB3 H 1 2.350 . . . . . . A 345 ASP HB3 . 19913 1 385 . 1 1 40 40 ASP C C 13 174.506 . . . . . . A 345 ASP C . 19913 1 386 . 1 1 40 40 ASP CA C 13 52.254 . . . . . . A 345 ASP CA . 19913 1 387 . 1 1 40 40 ASP CB C 13 43.198 . . . . . . A 345 ASP CB . 19913 1 388 . 1 1 40 40 ASP N N 15 117.422 . . . . . . A 345 ASP N . 19913 1 389 . 1 1 41 41 VAL H H 1 8.531 . . . . . . A 346 VAL H . 19913 1 390 . 1 1 41 41 VAL HA H 1 3.820 . . . . . . A 346 VAL HA . 19913 1 391 . 1 1 41 41 VAL HB H 1 1.890 . . . . . . A 346 VAL HB . 19913 1 392 . 1 1 41 41 VAL HG11 H 1 0.880 . . . . . . A 346 VAL HG1 . 19913 1 393 . 1 1 41 41 VAL HG12 H 1 0.880 . . . . . . A 346 VAL HG1 . 19913 1 394 . 1 1 41 41 VAL HG13 H 1 0.880 . . . . . . A 346 VAL HG1 . 19913 1 395 . 1 1 41 41 VAL HG21 H 1 0.816 . . . . . . A 346 VAL HG2 . 19913 1 396 . 1 1 41 41 VAL HG22 H 1 0.816 . . . . . . A 346 VAL HG2 . 19913 1 397 . 1 1 41 41 VAL HG23 H 1 0.816 . . . . . . A 346 VAL HG2 . 19913 1 398 . 1 1 41 41 VAL C C 13 174.750 . . . . . . A 346 VAL C . 19913 1 399 . 1 1 41 41 VAL CA C 13 60.735 . . . . . . A 346 VAL CA . 19913 1 400 . 1 1 41 41 VAL CB C 13 32.284 . . . . . . A 346 VAL CB . 19913 1 401 . 1 1 41 41 VAL CG1 C 13 21.645 . . . . . . A 346 VAL CG1 . 19913 1 402 . 1 1 41 41 VAL CG2 C 13 20.666 . . . . . . A 346 VAL CG2 . 19913 1 403 . 1 1 41 41 VAL N N 15 123.018 . . . . . . A 346 VAL N . 19913 1 404 . 1 1 42 42 PRO HA H 1 4.345 . . . . . . A 347 PRO HA . 19913 1 405 . 1 1 42 42 PRO HB2 H 1 2.272 . . . . . . A 347 PRO HB2 . 19913 1 406 . 1 1 42 42 PRO HD2 H 1 3.682 . . . . . . A 347 PRO HD2 . 19913 1 407 . 1 1 42 42 PRO HD3 H 1 3.372 . . . . . . A 347 PRO HD3 . 19913 1 408 . 1 1 42 42 PRO CA C 13 62.910 . . . . . . A 347 PRO CA . 19913 1 409 . 1 1 42 42 PRO CB C 13 32.179 . . . . . . A 347 PRO CB . 19913 1 410 . 1 1 42 42 PRO CD C 13 51.191 . . . . . . A 347 PRO CD . 19913 1 411 . 1 1 43 43 LYS H H 1 8.483 . . . . . . A 348 LYS H . 19913 1 412 . 1 1 43 43 LYS HA H 1 4.265 . . . . . . A 348 LYS HA . 19913 1 413 . 1 1 43 43 LYS HB2 H 1 1.785 . . . . . . A 348 LYS HB2 . 19913 1 414 . 1 1 43 43 LYS HB3 H 1 1.700 . . . . . . A 348 LYS HB3 . 19913 1 415 . 1 1 43 43 LYS HG2 H 1 1.381 . . . . . . A 348 LYS HG2 . 19913 1 416 . 1 1 43 43 LYS HG3 H 1 1.444 . . . . . . A 348 LYS HG3 . 19913 1 417 . 1 1 43 43 LYS C C 13 176.355 . . . . . . A 348 LYS C . 19913 1 418 . 1 1 43 43 LYS CA C 13 55.928 . . . . . . A 348 LYS CA . 19913 1 419 . 1 1 43 43 LYS CB C 13 32.714 . . . . . . A 348 LYS CB . 19913 1 420 . 1 1 43 43 LYS CG C 13 24.917 . . . . . . A 348 LYS CG . 19913 1 421 . 1 1 43 43 LYS N N 15 122.040 . . . . . . A 348 LYS N . 19913 1 422 . 1 1 44 44 GLY H H 1 8.103 . . . . . . A 349 GLY H . 19913 1 423 . 1 1 44 44 GLY HA2 H 1 3.949 . . . . . . A 349 GLY HA2 . 19913 1 424 . 1 1 44 44 GLY HA3 H 1 3.918 . . . . . . A 349 GLY HA3 . 19913 1 425 . 1 1 44 44 GLY C C 13 177.224 . . . . . . A 349 GLY C . 19913 1 426 . 1 1 44 44 GLY CA C 13 44.732 . . . . . . A 349 GLY CA . 19913 1 427 . 1 1 44 44 GLY N N 15 110.439 . . . . . . A 349 GLY N . 19913 1 428 . 1 1 45 45 ASP H H 1 8.253 . . . . . . A 350 ASP H . 19913 1 429 . 1 1 45 45 ASP HA H 1 4.542 . . . . . . A 350 ASP HA . 19913 1 430 . 1 1 45 45 ASP HB2 H 1 2.556 . . . . . . A 350 ASP HB2 . 19913 1 431 . 1 1 45 45 ASP HB3 H 1 2.459 . . . . . . A 350 ASP HB3 . 19913 1 432 . 1 1 45 45 ASP C C 13 172.943 . . . . . . A 350 ASP C . 19913 1 433 . 1 1 45 45 ASP CA C 13 54.611 . . . . . . A 350 ASP CA . 19913 1 434 . 1 1 45 45 ASP CB C 13 41.333 . . . . . . A 350 ASP CB . 19913 1 435 . 1 1 45 45 ASP N N 15 121.630 . . . . . . A 350 ASP N . 19913 1 436 . 1 1 46 46 TRP H H 1 9.050 . . . . . . A 351 TRP H . 19913 1 437 . 1 1 46 46 TRP HA H 1 4.336 . . . . . . A 351 TRP HA . 19913 1 438 . 1 1 46 46 TRP HB2 H 1 3.075 . . . . . . A 351 TRP HB2 . 19913 1 439 . 1 1 46 46 TRP HB3 H 1 3.004 . . . . . . A 351 TRP HB3 . 19913 1 440 . 1 1 46 46 TRP HD1 H 1 7.244 . . . . . . A 351 TRP HD1 . 19913 1 441 . 1 1 46 46 TRP HE3 H 1 7.189 . . . . . . A 351 TRP HE3 . 19913 1 442 . 1 1 46 46 TRP HZ2 H 1 7.102 . . . . . . A 351 TRP HZ2 . 19913 1 443 . 1 1 46 46 TRP HZ3 H 1 6.769 . . . . . . A 351 TRP HZ3 . 19913 1 444 . 1 1 46 46 TRP HH2 H 1 6.525 . . . . . . A 351 TRP HH2 . 19913 1 445 . 1 1 46 46 TRP C C 13 175.474 . . . . . . A 351 TRP C . 19913 1 446 . 1 1 46 46 TRP CA C 13 60.012 . . . . . . A 351 TRP CA . 19913 1 447 . 1 1 46 46 TRP CB C 13 30.379 . . . . . . A 351 TRP CB . 19913 1 448 . 1 1 46 46 TRP N N 15 126.420 . . . . . . A 351 TRP N . 19913 1 449 . 1 1 47 47 ARG H H 1 6.581 . . . . . . A 352 ARG H . 19913 1 450 . 1 1 47 47 ARG HA H 1 4.915 . . . . . . A 352 ARG HA . 19913 1 451 . 1 1 47 47 ARG HB2 H 1 1.210 . . . . . . A 352 ARG HB2 . 19913 1 452 . 1 1 47 47 ARG HB3 H 1 1.127 . . . . . . A 352 ARG HB3 . 19913 1 453 . 1 1 47 47 ARG HG2 H 1 1.454 . . . . . . A 352 ARG HG2 . 19913 1 454 . 1 1 47 47 ARG HG3 H 1 1.313 . . . . . . A 352 ARG HG3 . 19913 1 455 . 1 1 47 47 ARG HD2 H 1 2.952 . . . . . . A 352 ARG HD2 . 19913 1 456 . 1 1 47 47 ARG HD3 H 1 2.845 . . . . . . A 352 ARG HD3 . 19913 1 457 . 1 1 47 47 ARG C C 13 173.419 . . . . . . A 352 ARG C . 19913 1 458 . 1 1 47 47 ARG CA C 13 52.612 . . . . . . A 352 ARG CA . 19913 1 459 . 1 1 47 47 ARG CB C 13 33.712 . . . . . . A 352 ARG CB . 19913 1 460 . 1 1 47 47 ARG CG C 13 27.656 . . . . . . A 352 ARG CG . 19913 1 461 . 1 1 47 47 ARG CD C 13 43.241 . . . . . . A 352 ARG CD . 19913 1 462 . 1 1 47 47 ARG N N 15 125.212 . . . . . . A 352 ARG N . 19913 1 463 . 1 1 48 48 CYS H H 1 8.982 . . . . . . A 353 CYS H . 19913 1 464 . 1 1 48 48 CYS HA H 1 3.573 . . . . . . A 353 CYS HA . 19913 1 465 . 1 1 48 48 CYS HB2 H 1 3.007 . . . . . . A 353 CYS HB2 . 19913 1 466 . 1 1 48 48 CYS HB3 H 1 2.362 . . . . . . A 353 CYS HB3 . 19913 1 467 . 1 1 48 48 CYS C C 13 173.614 . . . . . . A 353 CYS C . 19913 1 468 . 1 1 48 48 CYS CA C 13 56.747 . . . . . . A 353 CYS CA . 19913 1 469 . 1 1 48 48 CYS CB C 13 29.965 . . . . . . A 353 CYS CB . 19913 1 470 . 1 1 48 48 CYS N N 15 126.478 . . . . . . A 353 CYS N . 19913 1 471 . 1 1 49 49 PRO HB2 H 1 1.692 . . . . . . A 354 PRO HB2 . 19913 1 472 . 1 1 49 49 PRO HB3 H 1 1.762 . . . . . . A 354 PRO HB3 . 19913 1 473 . 1 1 49 49 PRO HD2 H 1 3.099 . . . . . . A 354 PRO HD2 . 19913 1 474 . 1 1 49 49 PRO CA C 13 65.437 . . . . . . A 354 PRO CA . 19913 1 475 . 1 1 49 49 PRO CB C 13 32.226 . . . . . . A 354 PRO CB . 19913 1 476 . 1 1 49 49 PRO CD C 13 49.685 . . . . . . A 354 PRO CD . 19913 1 477 . 1 1 50 50 LYS H H 1 7.800 . . . . . . A 355 LYS H . 19913 1 478 . 1 1 50 50 LYS HA H 1 4.006 . . . . . . A 355 LYS HA . 19913 1 479 . 1 1 50 50 LYS HB2 H 1 1.856 . . . . . . A 355 LYS HB2 . 19913 1 480 . 1 1 50 50 LYS HG2 H 1 1.252 . . . . . . A 355 LYS HG2 . 19913 1 481 . 1 1 50 50 LYS HG3 H 1 1.463 . . . . . . A 355 LYS HG3 . 19913 1 482 . 1 1 50 50 LYS HD2 H 1 1.723 . . . . . . A 355 LYS HD2 . 19913 1 483 . 1 1 50 50 LYS HD3 H 1 1.638 . . . . . . A 355 LYS HD3 . 19913 1 484 . 1 1 50 50 LYS C C 13 179.592 . . . . . . A 355 LYS C . 19913 1 485 . 1 1 50 50 LYS CA C 13 59.630 . . . . . . A 355 LYS CA . 19913 1 486 . 1 1 50 50 LYS CB C 13 32.384 . . . . . . A 355 LYS CB . 19913 1 487 . 1 1 50 50 LYS CG C 13 25.086 . . . . . . A 355 LYS CG . 19913 1 488 . 1 1 50 50 LYS CD C 13 25.520 . . . . . . A 355 LYS CD . 19913 1 489 . 1 1 50 50 LYS N N 15 119.965 . . . . . . A 355 LYS N . 19913 1 490 . 1 1 51 51 CYS H H 1 8.513 . . . . . . A 356 CYS H . 19913 1 491 . 1 1 51 51 CYS HA H 1 3.771 . . . . . . A 356 CYS HA . 19913 1 492 . 1 1 51 51 CYS HB2 H 1 2.683 . . . . . . A 356 CYS HB2 . 19913 1 493 . 1 1 51 51 CYS C C 13 179.399 . . . . . . A 356 CYS C . 19913 1 494 . 1 1 51 51 CYS CA C 13 65.376 . . . . . . A 356 CYS CA . 19913 1 495 . 1 1 51 51 CYS CB C 13 28.206 . . . . . . A 356 CYS CB . 19913 1 496 . 1 1 51 51 CYS N N 15 125.452 . . . . . . A 356 CYS N . 19913 1 497 . 1 1 52 52 LEU H H 1 8.181 . . . . . . A 357 LEU H . 19913 1 498 . 1 1 52 52 LEU HA H 1 3.869 . . . . . . A 357 LEU HA . 19913 1 499 . 1 1 52 52 LEU HB2 H 1 1.409 . . . . . . A 357 LEU HB2 . 19913 1 500 . 1 1 52 52 LEU HB3 H 1 1.284 . . . . . . A 357 LEU HB3 . 19913 1 501 . 1 1 52 52 LEU HG H 1 1.315 . . . . . . A 357 LEU HG . 19913 1 502 . 1 1 52 52 LEU HD11 H 1 0.604 . . . . . . A 357 LEU HD1 . 19913 1 503 . 1 1 52 52 LEU HD12 H 1 0.604 . . . . . . A 357 LEU HD1 . 19913 1 504 . 1 1 52 52 LEU HD13 H 1 0.604 . . . . . . A 357 LEU HD1 . 19913 1 505 . 1 1 52 52 LEU C C 13 179.011 . . . . . . A 357 LEU C . 19913 1 506 . 1 1 52 52 LEU CA C 13 56.974 . . . . . . A 357 LEU CA . 19913 1 507 . 1 1 52 52 LEU CB C 13 41.807 . . . . . . A 357 LEU CB . 19913 1 508 . 1 1 52 52 LEU CG C 13 26.081 . . . . . . A 357 LEU CG . 19913 1 509 . 1 1 52 52 LEU CD1 C 13 23.039 . . . . . . A 357 LEU CD1 . 19913 1 510 . 1 1 52 52 LEU N N 15 120.480 . . . . . . A 357 LEU N . 19913 1 511 . 1 1 53 53 ALA H H 1 7.422 . . . . . . A 358 ALA H . 19913 1 512 . 1 1 53 53 ALA HA H 1 4.098 . . . . . . A 358 ALA HA . 19913 1 513 . 1 1 53 53 ALA HB1 H 1 1.359 . . . . . . A 358 ALA MB . 19913 1 514 . 1 1 53 53 ALA HB2 H 1 1.359 . . . . . . A 358 ALA MB . 19913 1 515 . 1 1 53 53 ALA HB3 H 1 1.359 . . . . . . A 358 ALA MB . 19913 1 516 . 1 1 53 53 ALA C C 13 178.803 . . . . . . A 358 ALA C . 19913 1 517 . 1 1 53 53 ALA CA C 13 53.684 . . . . . . A 358 ALA CA . 19913 1 518 . 1 1 53 53 ALA CB C 13 18.262 . . . . . . A 358 ALA CB . 19913 1 519 . 1 1 53 53 ALA N N 15 121.422 . . . . . . A 358 ALA N . 19913 1 520 . 1 1 54 54 GLN H H 1 7.545 . . . . . . A 359 GLN H . 19913 1 521 . 1 1 54 54 GLN HA H 1 4.110 . . . . . . A 359 GLN HA . 19913 1 522 . 1 1 54 54 GLN HB2 H 1 2.066 . . . . . . A 359 GLN HB2 . 19913 1 523 . 1 1 54 54 GLN HB3 H 1 1.997 . . . . . . A 359 GLN HB3 . 19913 1 524 . 1 1 54 54 GLN HG2 H 1 2.361 . . . . . . A 359 GLN HG2 . 19913 1 525 . 1 1 54 54 GLN HG3 H 1 2.311 . . . . . . A 359 GLN HG3 . 19913 1 526 . 1 1 54 54 GLN C C 13 178.826 . . . . . . A 359 GLN C . 19913 1 527 . 1 1 54 54 GLN CA C 13 56.722 . . . . . . A 359 GLN CA . 19913 1 528 . 1 1 54 54 GLN CB C 13 29.099 . . . . . . A 359 GLN CB . 19913 1 529 . 1 1 54 54 GLN CG C 13 33.831 . . . . . . A 359 GLN CG . 19913 1 530 . 1 1 54 54 GLN N N 15 117.550 . . . . . . A 359 GLN N . 19913 1 531 . 1 1 55 55 GLU H H 1 7.861 . . . . . . A 360 GLU H . 19913 1 532 . 1 1 55 55 GLU HA H 1 4.136 . . . . . . A 360 GLU HA . 19913 1 533 . 1 1 55 55 GLU HB2 H 1 1.961 . . . . . . A 360 GLU HB2 . 19913 1 534 . 1 1 55 55 GLU HB3 H 1 1.910 . . . . . . A 360 GLU HB3 . 19913 1 535 . 1 1 55 55 GLU HG2 H 1 2.233 . . . . . . A 360 GLU HG2 . 19913 1 536 . 1 1 55 55 GLU HG3 H 1 2.171 . . . . . . A 360 GLU HG3 . 19913 1 537 . 1 1 55 55 GLU C C 13 176.826 . . . . . . A 360 GLU C . 19913 1 538 . 1 1 55 55 GLU CA C 13 57.168 . . . . . . A 360 GLU CA . 19913 1 539 . 1 1 55 55 GLU CB C 13 30.032 . . . . . . A 360 GLU CB . 19913 1 540 . 1 1 55 55 GLU CG C 13 36.148 . . . . . . A 360 GLU CG . 19913 1 541 . 1 1 55 55 GLU N N 15 120.736 . . . . . . A 360 GLU N . 19913 1 stop_ save_