data_19914 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19914 _Entry.Title ; NMR Structure of KDM5B PHD1 finger in complex with H3K4me0(1-10aa) ; _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 Yan Zhang . . . 19914 2 Huirong Yang . . . 19914 3 Xue Guo . . . 19914 4 Naiyan Rong . . . 19914 5 Yujiao Song . . . 19914 6 Youwei Xu . . . 19914 7 Wenxian Lan . . . 19914 8 Yanhui Xu . . . 19914 9 Chunyang Cao . . . 19914 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' 'not applicable' . 19914 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID demethylase . 19914 H3K4 . 19914 KDM5B . 19914 PHD1 . 19914 repression . 19914 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19914 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 165 19914 '15N chemical shifts' 51 19914 '1H chemical shifts' 396 19914 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 . 19914 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19913 'KDM5B PHD1 finger' 19914 PDB 2MNZ 'BMRB Entry Tracking System' 19914 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19914 _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 Yan Zhang . . . 19914 1 2 Huirong Yang . . . 19914 1 3 Xue Guo . . . 19914 1 4 Naiyan Rong . . . 19914 1 5 Yujiao Rong . . . 19914 1 6 Youwei Xu . . . 19914 1 7 Wenxian Lan . . . 19914 1 8 Yanhui Xu . . . 19914 1 9 Chunyang Cao . . . 19914 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19914 _Assembly.ID 1 _Assembly.Name 'KDM5B PHD1 finger in complex with H3K4me0(1-10aa)' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 entity_1 1 $entity_1 A . yes native no no . . . 19914 1 2 'ZINC ION_1' 2 $entity_ZN C . no native no no . . . 19914 1 3 'ZINC ION_2' 2 $entity_ZN D . no native no no . . . 19914 1 4 H3K4me0(1-10aa) 3 $entity_3 B . yes native no no . . . 19914 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19914 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 yes _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 7360.083 _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 19913 . PHD1_finger_of_KDM5B . . . . . 100.00 55 100.00 100.00 1.77e-30 . . . . 19914 1 2 no PDB 2MNY . "Nmr Structure Of Kdm5b Phd1 Finger" . . . . . 100.00 55 100.00 100.00 1.77e-30 . . . . 19914 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 . . . . 19914 1 4 no DBJ BAC30898 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1433 98.18 100.00 2.78e-29 . . . . 19914 1 5 no DBJ BAD90482 . "mKIAA4034 protein [Mus musculus]" . . . . . 100.00 1554 98.18 100.00 3.12e-29 . . . . 19914 1 6 no DBJ BAE37363 . "unnamed protein product [Mus musculus]" . . . . . 100.00 600 98.18 100.00 4.27e-32 . . . . 19914 1 7 no DBJ BAE89761 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 194 100.00 100.00 2.11e-32 . . . . 19914 1 8 no DBJ BAG53706 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1275 100.00 100.00 1.48e-29 . . . . 19914 1 9 no EMBL CAB43532 . "PLU-1 protein [Homo sapiens]" . . . . . 100.00 1544 100.00 100.00 2.61e-29 . . . . 19914 1 10 no EMBL CAB61368 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 1350 100.00 100.00 1.57e-29 . . . . 19914 1 11 no EMBL CAB63108 . "RB-binding protein [Homo sapiens]" . . . . . 100.00 1681 100.00 100.00 2.58e-29 . . . . 19914 1 12 no EMBL CAH65222 . "hypothetical protein RCJMB04_9d3 [Gallus gallus]" . . . . . 100.00 1522 98.18 100.00 6.55e-29 . . . . 19914 1 13 no GB AAD16061 . "retinoblastoma binding protein 2 homolog 1 [Homo sapiens]" . . . . . 100.00 1580 100.00 100.00 2.31e-29 . . . . 19914 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 . . . . 19914 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 . . . . 19914 1 16 no GB AAI56050 . "Jumonji, AT rich interactive domain 1B, partial [synthetic construct]" . . . . . 100.00 1544 100.00 100.00 2.61e-29 . . . . 19914 1 17 no GB AAI57032 . "Jumonji, AT rich interactive domain 1B [synthetic construct]" . . . . . 100.00 1544 100.00 100.00 2.61e-29 . . . . 19914 1 18 no REF NP_001026200 . "lysine-specific demethylase 5B [Gallus gallus]" . . . . . 100.00 1522 98.18 100.00 6.55e-29 . . . . 19914 1 19 no REF NP_001100647 . "lysine-specific demethylase 5B [Rattus norvegicus]" . . . . . 100.00 1544 98.18 100.00 4.76e-29 . . . . 19914 1 20 no REF NP_001300971 . "lysine-specific demethylase 5B isoform 1 [Homo sapiens]" . . . . . 100.00 1580 100.00 100.00 2.43e-29 . . . . 19914 1 21 no REF NP_006609 . "lysine-specific demethylase 5B isoform 2 [Homo sapiens]" . . . . . 100.00 1544 100.00 100.00 2.61e-29 . . . . 19914 1 22 no REF NP_690855 . "lysine-specific demethylase 5B [Mus musculus]" . . . . . 100.00 1544 98.18 100.00 3.63e-29 . . . . 19914 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 . . . . 19914 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 . . . . 19914 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 . . . . 19914 1 26 no TPG DAA21261 . "TPA: RB-binding protein-like [Bos taurus]" . . . . . 100.00 1489 98.18 100.00 1.42e-28 . . . . 19914 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 . 19914 1 2 307 VAL . 19914 1 3 308 ASP . 19914 1 4 309 LEU . 19914 1 5 310 TYR . 19914 1 6 311 VAL . 19914 1 7 312 CYS . 19914 1 8 313 LEU . 19914 1 9 314 LEU . 19914 1 10 315 CYS . 19914 1 11 316 GLY . 19914 1 12 317 SER . 19914 1 13 318 GLY . 19914 1 14 319 ASN . 19914 1 15 320 ASP . 19914 1 16 321 GLU . 19914 1 17 322 ASP . 19914 1 18 323 ARG . 19914 1 19 324 LEU . 19914 1 20 325 LEU . 19914 1 21 326 LEU . 19914 1 22 327 CYS . 19914 1 23 328 ASP . 19914 1 24 329 GLY . 19914 1 25 330 CYS . 19914 1 26 331 ASP . 19914 1 27 332 ASP . 19914 1 28 333 SER . 19914 1 29 334 TYR . 19914 1 30 335 HIS . 19914 1 31 336 THR . 19914 1 32 337 PHE . 19914 1 33 338 CYS . 19914 1 34 339 LEU . 19914 1 35 340 ILE . 19914 1 36 341 PRO . 19914 1 37 342 PRO . 19914 1 38 343 LEU . 19914 1 39 344 HIS . 19914 1 40 345 ASP . 19914 1 41 346 VAL . 19914 1 42 347 PRO . 19914 1 43 348 LYS . 19914 1 44 349 GLY . 19914 1 45 350 ASP . 19914 1 46 351 TRP . 19914 1 47 352 ARG . 19914 1 48 353 CYS . 19914 1 49 354 PRO . 19914 1 50 355 LYS . 19914 1 51 356 CYS . 19914 1 52 357 LEU . 19914 1 53 358 ALA . 19914 1 54 359 GLN . 19914 1 55 360 GLU . 19914 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 19914 1 . VAL 2 2 19914 1 . ASP 3 3 19914 1 . LEU 4 4 19914 1 . TYR 5 5 19914 1 . VAL 6 6 19914 1 . CYS 7 7 19914 1 . LEU 8 8 19914 1 . LEU 9 9 19914 1 . CYS 10 10 19914 1 . GLY 11 11 19914 1 . SER 12 12 19914 1 . GLY 13 13 19914 1 . ASN 14 14 19914 1 . ASP 15 15 19914 1 . GLU 16 16 19914 1 . ASP 17 17 19914 1 . ARG 18 18 19914 1 . LEU 19 19 19914 1 . LEU 20 20 19914 1 . LEU 21 21 19914 1 . CYS 22 22 19914 1 . ASP 23 23 19914 1 . GLY 24 24 19914 1 . CYS 25 25 19914 1 . ASP 26 26 19914 1 . ASP 27 27 19914 1 . SER 28 28 19914 1 . TYR 29 29 19914 1 . HIS 30 30 19914 1 . THR 31 31 19914 1 . PHE 32 32 19914 1 . CYS 33 33 19914 1 . LEU 34 34 19914 1 . ILE 35 35 19914 1 . PRO 36 36 19914 1 . PRO 37 37 19914 1 . LEU 38 38 19914 1 . HIS 39 39 19914 1 . ASP 40 40 19914 1 . VAL 41 41 19914 1 . PRO 42 42 19914 1 . LYS 43 43 19914 1 . GLY 44 44 19914 1 . ASP 45 45 19914 1 . TRP 46 46 19914 1 . ARG 47 47 19914 1 . CYS 48 48 19914 1 . PRO 49 49 19914 1 . LYS 50 50 19914 1 . CYS 51 51 19914 1 . LEU 52 52 19914 1 . ALA 53 53 19914 1 . GLN 54 54 19914 1 . GLU 55 55 19914 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19914 _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 19914 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 19914 2 ZN 'Three letter code' 19914 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 19914 2 stop_ save_ save_entity_3 _Entity.Sf_category entity _Entity.Sf_framecode entity_3 _Entity.Entry_ID 19914 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name entity_3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ARTKQTARKS _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _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 1 363 ALA . 19914 3 2 364 ARG . 19914 3 3 365 THR . 19914 3 4 366 LYS . 19914 3 5 367 GLN . 19914 3 6 368 THR . 19914 3 7 369 ALA . 19914 3 8 370 ARG . 19914 3 9 371 LYS . 19914 3 10 372 SER . 19914 3 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 19914 3 . ARG 2 2 19914 3 . THR 3 3 19914 3 . LYS 4 4 19914 3 . GLN 5 5 19914 3 . THR 6 6 19914 3 . ALA 7 7 19914 3 . ARG 8 8 19914 3 . LYS 9 9 19914 3 . SER 10 10 19914 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19914 _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 . . . . . . . . . . . . . . . . . . . . . 19914 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 19914 _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 . . . . . . . . . . . . . . . . pGEX-6p-1 . . . . . . 19914 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 19914 _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 19914 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19914 ZN [Zn++] SMILES CACTVS 3.341 19914 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19914 ZN [Zn+2] SMILES ACDLabs 10.04 19914 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19914 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19914 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 19914 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19914 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 . 19914 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19914 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity_1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . . 0.8 2 mM . . . . 19914 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19914 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19914 1 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 19914 _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' 0.1 . M 19914 1 pH 7.4 . pH 19914 1 pressure 1 . atm 19914 1 temperature 293 . K 19914 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19914 _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.' . . 19914 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19914 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 19914 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 19914 _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 Varian INOVA . 600 . . . 19914 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 19914 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19914 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19914 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19914 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19914 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19914 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19914 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19914 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19914 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19914 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19914 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 19914 _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 . . . . . . . . . 19914 1 H 1 water protons . . . . ppm 4.76 internal direct 1.000000000 . . . . . . . . . 19914 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19914 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 19914 _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' . . . 19914 1 2 '2D 1H-13C HSQC' . . . 19914 1 3 '2D 1H-13C HSQC aliphatic' . . . 19914 1 4 '2D 1H-13C HSQC aromatic' . . . 19914 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CNS . . 19914 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 8.362 . . . . . . A 306 ALA HN . 19914 1 2 . 1 1 1 1 ALA HA H 1 4.806 . . . . . . A 306 ALA HA . 19914 1 3 . 1 1 1 1 ALA HB1 H 1 1.355 . . . . . . A 306 ALA HB2 . 19914 1 4 . 1 1 1 1 ALA HB2 H 1 1.355 . . . . . . A 306 ALA HB2 . 19914 1 5 . 1 1 1 1 ALA HB3 H 1 1.355 . . . . . . A 306 ALA HB2 . 19914 1 6 . 1 1 1 1 ALA N N 15 126.125 . . . . . . A 306 ALA N . 19914 1 7 . 1 1 2 2 VAL H H 1 7.927 . . . . . . A 307 VAL H . 19914 1 8 . 1 1 2 2 VAL HA H 1 3.931 . . . . . . A 307 VAL HA . 19914 1 9 . 1 1 2 2 VAL HB H 1 1.962 . . . . . . A 307 VAL HB . 19914 1 10 . 1 1 2 2 VAL HG21 H 1 0.861 . . . . . . A 307 VAL HG2 . 19914 1 11 . 1 1 2 2 VAL HG22 H 1 0.861 . . . . . . A 307 VAL HG2 . 19914 1 12 . 1 1 2 2 VAL HG23 H 1 0.861 . . . . . . A 307 VAL HG2 . 19914 1 13 . 1 1 2 2 VAL CB C 13 32.181 . . . . . . A 307 VAL CB . 19914 1 14 . 1 1 2 2 VAL CG1 C 13 21.407 . . . . . . A 307 VAL CG1 . 19914 1 15 . 1 1 2 2 VAL CG2 C 13 21.407 . . . . . . A 307 VAL CG2 . 19914 1 16 . 1 1 2 2 VAL N N 15 118.426 . . . . . . A 307 VAL N . 19914 1 17 . 1 1 3 3 ASP H H 1 7.897 . . . . . . A 308 ASP H . 19914 1 18 . 1 1 3 3 ASP HB2 H 1 2.466 . . . . . . A 308 ASP HB2 . 19914 1 19 . 1 1 3 3 ASP CB C 13 41.13 . . . . . . A 308 ASP CB . 19914 1 20 . 1 1 4 4 LEU H H 1 7.493 . . . . . . A 309 LEU H . 19914 1 21 . 1 1 4 4 LEU HA H 1 4.113 . . . . . . A 309 LEU HA . 19914 1 22 . 1 1 4 4 LEU HB2 H 1 1.482 . . . . . . A 309 LEU HB2 . 19914 1 23 . 1 1 4 4 LEU HB3 H 1 1.433 . . . . . . A 309 LEU HB3 . 19914 1 24 . 1 1 4 4 LEU HG H 1 1.398 . . . . . . A 309 LEU HG . 19914 1 25 . 1 1 4 4 LEU HD11 H 1 0.71 . . . . . . A 309 LEU HD12 . 19914 1 26 . 1 1 4 4 LEU HD12 H 1 0.71 . . . . . . A 309 LEU HD12 . 19914 1 27 . 1 1 4 4 LEU HD13 H 1 0.71 . . . . . . A 309 LEU HD12 . 19914 1 28 . 1 1 4 4 LEU HD21 H 1 0.763 . . . . . . A 309 LEU HD22 . 19914 1 29 . 1 1 4 4 LEU HD22 H 1 0.763 . . . . . . A 309 LEU HD22 . 19914 1 30 . 1 1 4 4 LEU HD23 H 1 0.763 . . . . . . A 309 LEU HD22 . 19914 1 31 . 1 1 4 4 LEU CA C 13 55.279 . . . . . . A 309 LEU CA . 19914 1 32 . 1 1 4 4 LEU CG C 13 26.8 . . . . . . A 309 LEU CG . 19914 1 33 . 1 1 4 4 LEU CD1 C 13 22.943 . . . . . . A 309 LEU CD1 . 19914 1 34 . 1 1 4 4 LEU N N 15 117.182 . . . . . . A 309 LEU N . 19914 1 35 . 1 1 5 5 TYR H H 1 7.458 . . . . . . A 310 TYR H . 19914 1 36 . 1 1 5 5 TYR HA H 1 4.538 . . . . . . A 310 TYR HA . 19914 1 37 . 1 1 5 5 TYR HB2 H 1 2.697 . . . . . . A 310 TYR HB2 . 19914 1 38 . 1 1 5 5 TYR HB3 H 1 2.795 . . . . . . A 310 TYR HB3 . 19914 1 39 . 1 1 5 5 TYR HD2 H 1 7.089 . . . . . . A 310 TYR HD2 . 19914 1 40 . 1 1 5 5 TYR HE2 H 1 6.738 . . . . . . A 310 TYR HE2 . 19914 1 41 . 1 1 5 5 TYR CA C 13 57.874 . . . . . . A 310 TYR CA . 19914 1 42 . 1 1 5 5 TYR CB C 13 37.551 . . . . . . A 310 TYR CB . 19914 1 43 . 1 1 5 5 TYR CD1 C 13 132.47 . . . . . . A 310 TYR CD1 . 19914 1 44 . 1 1 5 5 TYR CD2 C 13 132.47 . . . . . . A 310 TYR CD2 . 19914 1 45 . 1 1 5 5 TYR CE1 C 13 118.255 . . . . . . A 310 TYR CE1 . 19914 1 46 . 1 1 5 5 TYR CE2 C 13 118.255 . . . . . . A 310 TYR CE2 . 19914 1 47 . 1 1 5 5 TYR N N 15 118.773 . . . . . . A 310 TYR N . 19914 1 48 . 1 1 6 6 VAL H H 1 7.785 . . . . . . A 311 VAL H . 19914 1 49 . 1 1 6 6 VAL HA H 1 3.976 . . . . . . A 311 VAL HA . 19914 1 50 . 1 1 6 6 VAL HB H 1 1.479 . . . . . . A 311 VAL HB . 19914 1 51 . 1 1 6 6 VAL HG11 H 1 0.589 . . . . . . A 311 VAL HG12 . 19914 1 52 . 1 1 6 6 VAL HG12 H 1 0.589 . . . . . . A 311 VAL HG12 . 19914 1 53 . 1 1 6 6 VAL HG13 H 1 0.589 . . . . . . A 311 VAL HG12 . 19914 1 54 . 1 1 6 6 VAL HG21 H 1 0.607 . . . . . . A 311 VAL HG22 . 19914 1 55 . 1 1 6 6 VAL HG22 H 1 0.607 . . . . . . A 311 VAL HG22 . 19914 1 56 . 1 1 6 6 VAL HG23 H 1 0.607 . . . . . . A 311 VAL HG22 . 19914 1 57 . 1 1 6 6 VAL CA C 13 59.373 . . . . . . A 311 VAL CA . 19914 1 58 . 1 1 6 6 VAL CB C 13 35.587 . . . . . . A 311 VAL CB . 19914 1 59 . 1 1 6 6 VAL CG1 C 13 19.193 . . . . . . A 311 VAL CG1 . 19914 1 60 . 1 1 6 6 VAL CG2 C 13 21.22 . . . . . . A 311 VAL CG2 . 19914 1 61 . 1 1 6 6 VAL N N 15 118.252 . . . . . . A 311 VAL N . 19914 1 62 . 1 1 7 7 CYS H H 1 7.531 . . . . . . A 312 CYS H . 19914 1 63 . 1 1 7 7 CYS HA H 1 3.839 . . . . . . A 312 CYS HA . 19914 1 64 . 1 1 7 7 CYS HB2 H 1 1.93 . . . . . . A 312 CYS HB2 . 19914 1 65 . 1 1 7 7 CYS HB3 H 1 3.374 . . . . . . A 312 CYS HB3 . 19914 1 66 . 1 1 7 7 CYS CA C 13 58.415 . . . . . . A 312 CYS CA . 19914 1 67 . 1 1 7 7 CYS CB C 13 31.585 . . . . . . A 312 CYS CB . 19914 1 68 . 1 1 7 7 CYS N N 15 125.429 . . . . . . A 312 CYS N . 19914 1 69 . 1 1 8 8 LEU H H 1 8.453 . . . . . . A 313 LEU H . 19914 1 70 . 1 1 8 8 LEU HA H 1 3.891 . . . . . . A 313 LEU HA . 19914 1 71 . 1 1 8 8 LEU HB2 H 1 1.216 . . . . . . A 313 LEU HB2 . 19914 1 72 . 1 1 8 8 LEU HB3 H 1 1.164 . . . . . . A 313 LEU HB3 . 19914 1 73 . 1 1 8 8 LEU HD11 H 1 0.843 . . . . . . A 313 LEU HD12 . 19914 1 74 . 1 1 8 8 LEU HD12 H 1 0.843 . . . . . . A 313 LEU HD12 . 19914 1 75 . 1 1 8 8 LEU HD13 H 1 0.843 . . . . . . A 313 LEU HD12 . 19914 1 76 . 1 1 8 8 LEU CA C 13 57.173 . . . . . . A 313 LEU CA . 19914 1 77 . 1 1 8 8 LEU CB C 13 42.47 . . . . . . A 313 LEU CB . 19914 1 78 . 1 1 8 8 LEU CD1 C 13 24.701 . . . . . . A 313 LEU CD1 . 19914 1 79 . 1 1 8 8 LEU N N 15 130.689 . . . . . . A 313 LEU N . 19914 1 80 . 1 1 9 9 LEU H H 1 8.521 . . . . . . A 314 LEU H . 19914 1 81 . 1 1 9 9 LEU HA H 1 4.504 . . . . . . A 314 LEU HA . 19914 1 82 . 1 1 9 9 LEU HB2 H 1 1.814 . . . . . . A 314 LEU HB2 . 19914 1 83 . 1 1 9 9 LEU HB3 H 1 1.648 . . . . . . A 314 LEU HB3 . 19914 1 84 . 1 1 9 9 LEU HG H 1 1.795 . . . . . . A 314 LEU HG . 19914 1 85 . 1 1 9 9 LEU HD11 H 1 1.087 . . . . . . A 314 LEU HD12 . 19914 1 86 . 1 1 9 9 LEU HD12 H 1 1.087 . . . . . . A 314 LEU HD12 . 19914 1 87 . 1 1 9 9 LEU HD13 H 1 1.087 . . . . . . A 314 LEU HD12 . 19914 1 88 . 1 1 9 9 LEU HD21 H 1 1.008 . . . . . . A 314 LEU HD22 . 19914 1 89 . 1 1 9 9 LEU HD22 H 1 1.008 . . . . . . A 314 LEU HD22 . 19914 1 90 . 1 1 9 9 LEU HD23 H 1 1.008 . . . . . . A 314 LEU HD22 . 19914 1 91 . 1 1 9 9 LEU CA C 13 56.415 . . . . . . A 314 LEU CA . 19914 1 92 . 1 1 9 9 LEU CB C 13 42.668 . . . . . . A 314 LEU CB . 19914 1 93 . 1 1 9 9 LEU CG C 13 26.967 . . . . . . A 314 LEU CG . 19914 1 94 . 1 1 9 9 LEU CD1 C 13 26.476 . . . . . . A 314 LEU CD1 . 19914 1 95 . 1 1 9 9 LEU CD2 C 13 22.119 . . . . . . A 314 LEU CD2 . 19914 1 96 . 1 1 9 9 LEU N N 15 118.705 . . . . . . A 314 LEU N . 19914 1 97 . 1 1 10 10 CYS H H 1 8.143 . . . . . . A 315 CYS H . 19914 1 98 . 1 1 10 10 CYS HA H 1 5.045 . . . . . . A 315 CYS HA . 19914 1 99 . 1 1 10 10 CYS HB2 H 1 3.151 . . . . . . A 315 CYS HB2 . 19914 1 100 . 1 1 10 10 CYS HB3 H 1 3.308 . . . . . . A 315 CYS HB3 . 19914 1 101 . 1 1 10 10 CYS CA C 13 58.541 . . . . . . A 315 CYS CA . 19914 1 102 . 1 1 10 10 CYS CB C 13 31.635 . . . . . . A 315 CYS CB . 19914 1 103 . 1 1 10 10 CYS N N 15 117.143 . . . . . . A 315 CYS N . 19914 1 104 . 1 1 11 11 GLY H H 1 7.936 . . . . . . A 316 GLY H . 19914 1 105 . 1 1 11 11 GLY HA2 H 1 3.759 . . . . . . A 316 GLY HA2 . 19914 1 106 . 1 1 11 11 GLY HA3 H 1 4.112 . . . . . . A 316 GLY HA3 . 19914 1 107 . 1 1 11 11 GLY CA C 13 46.276 . . . . . . A 316 GLY CA . 19914 1 108 . 1 1 11 11 GLY N N 15 112.839 . . . . . . A 316 GLY N . 19914 1 109 . 1 1 12 12 SER H H 1 8.546 . . . . . . A 317 SER H . 19914 1 110 . 1 1 12 12 SER HA H 1 4.839 . . . . . . A 317 SER HA . 19914 1 111 . 1 1 12 12 SER HB2 H 1 3.992 . . . . . . A 317 SER HB2 . 19914 1 112 . 1 1 12 12 SER HB3 H 1 4.26 . . . . . . A 317 SER HB3 . 19914 1 113 . 1 1 12 12 SER CB C 13 64.609 . . . . . . A 317 SER CB . 19914 1 114 . 1 1 12 12 SER N N 15 115.704 . . . . . . A 317 SER N . 19914 1 115 . 1 1 13 13 GLY H H 1 9.167 . . . . . . A 318 GLY H . 19914 1 116 . 1 1 13 13 GLY HA2 H 1 3.694 . . . . . . A 318 GLY HA# . 19914 1 117 . 1 1 13 13 GLY HA3 H 1 3.694 . . . . . . A 318 GLY HA# . 19914 1 118 . 1 1 13 13 GLY CA C 13 44.994 . . . . . . A 318 GLY CA . 19914 1 119 . 1 1 13 13 GLY N N 15 115.91 . . . . . . A 318 GLY N . 19914 1 120 . 1 1 14 14 ASN H H 1 8.113 . . . . . . A 319 ASN H . 19914 1 121 . 1 1 14 14 ASN HA H 1 4.599 . . . . . . A 319 ASN HA . 19914 1 122 . 1 1 14 14 ASN HB2 H 1 3.021 . . . . . . A 319 ASN HB2 . 19914 1 123 . 1 1 14 14 ASN HB3 H 1 2.666 . . . . . . A 319 ASN HB3 . 19914 1 124 . 1 1 14 14 ASN HD21 H 1 7.038 . . . . . . A 319 ASN HD21 . 19914 1 125 . 1 1 14 14 ASN HD22 H 1 7.695 . . . . . . A 319 ASN HD22 . 19914 1 126 . 1 1 14 14 ASN CB C 13 38.457 . . . . . . A 319 ASN CB . 19914 1 127 . 1 1 14 14 ASN N N 15 117.682 . . . . . . A 319 ASN N . 19914 1 128 . 1 1 14 14 ASN ND2 N 15 113.362 . . . . . . A 319 ASN ND2 . 19914 1 129 . 1 1 15 15 ASP H H 1 9.087 . . . . . . A 320 ASP H . 19914 1 130 . 1 1 15 15 ASP HA H 1 4.32 . . . . . . A 320 ASP HA . 19914 1 131 . 1 1 15 15 ASP HB2 H 1 2.594 . . . . . . A 320 ASP HB2 . 19914 1 132 . 1 1 15 15 ASP HB3 H 1 2.823 . . . . . . A 320 ASP HB3 . 19914 1 133 . 1 1 15 15 ASP CA C 13 56.114 . . . . . . A 320 ASP CA . 19914 1 134 . 1 1 15 15 ASP CB C 13 40.355 . . . . . . A 320 ASP CB . 19914 1 135 . 1 1 15 15 ASP N N 15 117.82 . . . . . . A 320 ASP N . 19914 1 136 . 1 1 16 16 GLU H H 1 8.859 . . . . . . A 321 GLU H . 19914 1 137 . 1 1 16 16 GLU HA H 1 3.72 . . . . . . A 321 GLU HA . 19914 1 138 . 1 1 16 16 GLU HB2 H 1 1.903 . . . . . . A 321 GLU HB2 . 19914 1 139 . 1 1 16 16 GLU HB3 H 1 1.981 . . . . . . A 321 GLU HB3 . 19914 1 140 . 1 1 16 16 GLU HG2 H 1 2.527 . . . . . . A 321 GLU HG2 . 19914 1 141 . 1 1 16 16 GLU HG3 H 1 2.392 . . . . . . A 321 GLU HG3 . 19914 1 142 . 1 1 16 16 GLU CA C 13 60.46 . . . . . . A 321 GLU CA . 19914 1 143 . 1 1 16 16 GLU CG C 13 35.952 . . . . . . A 321 GLU CG . 19914 1 144 . 1 1 16 16 GLU N N 15 115.267 . . . . . . A 321 GLU N . 19914 1 145 . 1 1 17 17 ASP H H 1 9.182 . . . . . . A 322 ASP H . 19914 1 146 . 1 1 17 17 ASP HA H 1 4.298 . . . . . . A 322 ASP HA . 19914 1 147 . 1 1 17 17 ASP HB2 H 1 2.669 . . . . . . A 322 ASP HB2 . 19914 1 148 . 1 1 17 17 ASP CA C 13 54.579 . . . . . . A 322 ASP CA . 19914 1 149 . 1 1 17 17 ASP CB C 13 39.136 . . . . . . A 322 ASP CB . 19914 1 150 . 1 1 17 17 ASP N N 15 115.313 . . . . . . A 322 ASP N . 19914 1 151 . 1 1 18 18 ARG H H 1 7.902 . . . . . . A 323 ARG H . 19914 1 152 . 1 1 18 18 ARG HA H 1 4.314 . . . . . . A 323 ARG HA . 19914 1 153 . 1 1 18 18 ARG HB2 H 1 1.598 . . . . . . A 323 ARG HB2 . 19914 1 154 . 1 1 18 18 ARG HG2 H 1 1.624 . . . . . . A 323 ARG HG2 . 19914 1 155 . 1 1 18 18 ARG HD2 H 1 3.158 . . . . . . A 323 ARG HD2 . 19914 1 156 . 1 1 18 18 ARG HD3 H 1 3.245 . . . . . . A 323 ARG HD3 . 19914 1 157 . 1 1 18 18 ARG CA C 13 54.783 . . . . . . A 323 ARG CA . 19914 1 158 . 1 1 18 18 ARG CB C 13 31.199 . . . . . . A 323 ARG CB . 19914 1 159 . 1 1 18 18 ARG CG C 13 27.2 . . . . . . A 323 ARG CG . 19914 1 160 . 1 1 18 18 ARG CD C 13 43.557 . . . . . . A 323 ARG CD . 19914 1 161 . 1 1 18 18 ARG N N 15 118.426 . . . . . . A 323 ARG N . 19914 1 162 . 1 1 19 19 LEU H H 1 7.132 . . . . . . A 324 LEU H . 19914 1 163 . 1 1 19 19 LEU HA H 1 4.096 . . . . . . A 324 LEU HA . 19914 1 164 . 1 1 19 19 LEU HB2 H 1 1.935 . . . . . . A 324 LEU HB2 . 19914 1 165 . 1 1 19 19 LEU HB3 H 1 1.056 . . . . . . A 324 LEU HB3 . 19914 1 166 . 1 1 19 19 LEU HG H 1 1.042 . . . . . . A 324 LEU HG . 19914 1 167 . 1 1 19 19 LEU HD11 H 1 -0.044 . . . . . . A 324 LEU HD12 . 19914 1 168 . 1 1 19 19 LEU HD12 H 1 -0.044 . . . . . . A 324 LEU HD12 . 19914 1 169 . 1 1 19 19 LEU HD13 H 1 -0.044 . . . . . . A 324 LEU HD12 . 19914 1 170 . 1 1 19 19 LEU HD21 H 1 0.511 . . . . . . A 324 LEU HD22 . 19914 1 171 . 1 1 19 19 LEU HD22 H 1 0.511 . . . . . . A 324 LEU HD22 . 19914 1 172 . 1 1 19 19 LEU HD23 H 1 0.511 . . . . . . A 324 LEU HD22 . 19914 1 173 . 1 1 19 19 LEU CA C 13 53.95 . . . . . . A 324 LEU CA . 19914 1 174 . 1 1 19 19 LEU CB C 13 41.658 . . . . . . A 324 LEU CB . 19914 1 175 . 1 1 19 19 LEU CG C 13 26.486 . . . . . . A 324 LEU CG . 19914 1 176 . 1 1 19 19 LEU CD1 C 13 23.099 . . . . . . A 324 LEU CD1 . 19914 1 177 . 1 1 19 19 LEU CD2 C 13 26.224 . . . . . . A 324 LEU CD2 . 19914 1 178 . 1 1 19 19 LEU N N 15 124.096 . . . . . . A 324 LEU N . 19914 1 179 . 1 1 20 20 LEU H H 1 8.134 . . . . . . A 325 LEU H . 19914 1 180 . 1 1 20 20 LEU HA H 1 4.129 . . . . . . A 325 LEU HA . 19914 1 181 . 1 1 20 20 LEU HB2 H 1 1.141 . . . . . . A 325 LEU HB2 . 19914 1 182 . 1 1 20 20 LEU HB3 H 1 0.435 . . . . . . A 325 LEU HB3 . 19914 1 183 . 1 1 20 20 LEU HG H 1 1.181 . . . . . . A 325 LEU HG . 19914 1 184 . 1 1 20 20 LEU HD11 H 1 -0.685 . . . . . . A 325 LEU HD12 . 19914 1 185 . 1 1 20 20 LEU HD12 H 1 -0.685 . . . . . . A 325 LEU HD12 . 19914 1 186 . 1 1 20 20 LEU HD13 H 1 -0.685 . . . . . . A 325 LEU HD12 . 19914 1 187 . 1 1 20 20 LEU HD21 H 1 0.258 . . . . . . A 325 LEU HD22 . 19914 1 188 . 1 1 20 20 LEU HD22 H 1 0.258 . . . . . . A 325 LEU HD22 . 19914 1 189 . 1 1 20 20 LEU HD23 H 1 0.258 . . . . . . A 325 LEU HD22 . 19914 1 190 . 1 1 20 20 LEU CA C 13 54.405 . . . . . . A 325 LEU CA . 19914 1 191 . 1 1 20 20 LEU CB C 13 43.036 . . . . . . A 325 LEU CB . 19914 1 192 . 1 1 20 20 LEU CG C 13 25.574 . . . . . . A 325 LEU CG . 19914 1 193 . 1 1 20 20 LEU CD1 C 13 24.594 . . . . . . A 325 LEU CD1 . 19914 1 194 . 1 1 20 20 LEU CD2 C 13 24.161 . . . . . . A 325 LEU CD2 . 19914 1 195 . 1 1 20 20 LEU N N 15 125.564 . . . . . . A 325 LEU N . 19914 1 196 . 1 1 21 21 LEU H H 1 7.684 . . . . . . A 326 LEU H . 19914 1 197 . 1 1 21 21 LEU HA H 1 4.13 . . . . . . A 326 LEU HA . 19914 1 198 . 1 1 21 21 LEU HB2 H 1 1.278 . . . . . . A 326 LEU HB2 . 19914 1 199 . 1 1 21 21 LEU HB3 H 1 1.082 . . . . . . A 326 LEU HB3 . 19914 1 200 . 1 1 21 21 LEU HG H 1 1.418 . . . . . . A 326 LEU HG . 19914 1 201 . 1 1 21 21 LEU HD11 H 1 0.849 . . . . . . A 326 LEU HD12 . 19914 1 202 . 1 1 21 21 LEU HD12 H 1 0.849 . . . . . . A 326 LEU HD12 . 19914 1 203 . 1 1 21 21 LEU HD13 H 1 0.849 . . . . . . A 326 LEU HD12 . 19914 1 204 . 1 1 21 21 LEU HD21 H 1 0.326 . . . . . . A 326 LEU HD22 . 19914 1 205 . 1 1 21 21 LEU HD22 H 1 0.326 . . . . . . A 326 LEU HD22 . 19914 1 206 . 1 1 21 21 LEU HD23 H 1 0.326 . . . . . . A 326 LEU HD22 . 19914 1 207 . 1 1 21 21 LEU CA C 13 54.58 . . . . . . A 326 LEU CA . 19914 1 208 . 1 1 21 21 LEU CG C 13 26.757 . . . . . . A 326 LEU CG . 19914 1 209 . 1 1 21 21 LEU CD2 C 13 25.213 . . . . . . A 326 LEU CD2 . 19914 1 210 . 1 1 21 21 LEU N N 15 118.623 . . . . . . A 326 LEU N . 19914 1 211 . 1 1 22 22 CYS H H 1 8.913 . . . . . . A 327 CYS H . 19914 1 212 . 1 1 22 22 CYS HA H 1 4.595 . . . . . . A 327 CYS HA . 19914 1 213 . 1 1 22 22 CYS HB2 H 1 3.442 . . . . . . A 327 CYS HB2 . 19914 1 214 . 1 1 22 22 CYS HB3 H 1 2.916 . . . . . . A 327 CYS HB3 . 19914 1 215 . 1 1 22 22 CYS CA C 13 60.667 . . . . . . A 327 CYS CA . 19914 1 216 . 1 1 22 22 CYS CB C 13 30.903 . . . . . . A 327 CYS CB . 19914 1 217 . 1 1 22 22 CYS N N 15 125.449 . . . . . . A 327 CYS N . 19914 1 218 . 1 1 23 23 ASP H H 1 9.432 . . . . . . A 328 ASP H . 19914 1 219 . 1 1 23 23 ASP HB2 H 1 2.758 . . . . . . A 328 ASP HB2 . 19914 1 220 . 1 1 23 23 ASP CB C 13 41.512 . . . . . . A 328 ASP CB . 19914 1 221 . 1 1 23 23 ASP N N 15 129.303 . . . . . . A 328 ASP N . 19914 1 222 . 1 1 24 24 GLY H H 1 10.289 . . . . . . A 329 GLY H . 19914 1 223 . 1 1 24 24 GLY HA2 H 1 4.085 . . . . . . A 329 GLY HA2 . 19914 1 224 . 1 1 24 24 GLY HA3 H 1 4.173 . . . . . . A 329 GLY HA3 . 19914 1 225 . 1 1 24 24 GLY CA C 13 46.054 . . . . . . A 329 GLY CA . 19914 1 226 . 1 1 24 24 GLY N N 15 114.897 . . . . . . A 329 GLY N . 19914 1 227 . 1 1 25 25 CYS H H 1 8.128 . . . . . . A 330 CYS H . 19914 1 228 . 1 1 25 25 CYS HA H 1 4.85 . . . . . . A 330 CYS HA . 19914 1 229 . 1 1 25 25 CYS HB2 H 1 3.102 . . . . . . A 330 CYS HB2 . 19914 1 230 . 1 1 25 25 CYS HB3 H 1 2.411 . . . . . . A 330 CYS HB3 . 19914 1 231 . 1 1 25 25 CYS CB C 13 33.094 . . . . . . A 330 CYS CB . 19914 1 232 . 1 1 25 25 CYS N N 15 121.696 . . . . . . A 330 CYS N . 19914 1 233 . 1 1 26 26 ASP HA H 1 4.818 . . . . . . A 331 ASP HA . 19914 1 234 . 1 1 26 26 ASP HB2 H 1 2.491 . . . . . . A 331 ASP HB2 . 19914 1 235 . 1 1 26 26 ASP HB3 H 1 2.597 . . . . . . A 331 ASP HB3 . 19914 1 236 . 1 1 26 26 ASP CB C 13 41.377 . . . . . . A 331 ASP CB . 19914 1 237 . 1 1 27 27 ASP H H 1 8.271 . . . . . . A 332 ASP H . 19914 1 238 . 1 1 27 27 ASP HA H 1 4.793 . . . . . . A 332 ASP HA . 19914 1 239 . 1 1 27 27 ASP HB2 H 1 2.644 . . . . . . A 332 ASP HB2 . 19914 1 240 . 1 1 27 27 ASP HB3 H 1 3.061 . . . . . . A 332 ASP HB3 . 19914 1 241 . 1 1 27 27 ASP CB C 13 42.346 . . . . . . A 332 ASP CB . 19914 1 242 . 1 1 27 27 ASP N N 15 121.279 . . . . . . A 332 ASP N . 19914 1 243 . 1 1 28 28 SER H H 1 7.819 . . . . . . A 333 SER H . 19914 1 244 . 1 1 28 28 SER HA H 1 5.88 . . . . . . A 333 SER HA . 19914 1 245 . 1 1 28 28 SER HB2 H 1 3.351 . . . . . . A 333 SER HB2 . 19914 1 246 . 1 1 28 28 SER CA C 13 56.39 . . . . . . A 333 SER CA . 19914 1 247 . 1 1 28 28 SER CB C 13 66.089 . . . . . . A 333 SER CB . 19914 1 248 . 1 1 28 28 SER N N 15 112.885 . . . . . . A 333 SER N . 19914 1 249 . 1 1 29 29 TYR H H 1 8.592 . . . . . . A 334 TYR H . 19914 1 250 . 1 1 29 29 TYR HA H 1 5.372 . . . . . . A 334 TYR HA . 19914 1 251 . 1 1 29 29 TYR HB2 H 1 2.613 . . . . . . A 334 TYR HB2 . 19914 1 252 . 1 1 29 29 TYR HD2 H 1 7.065 . . . . . . A 334 TYR HD2 . 19914 1 253 . 1 1 29 29 TYR HE2 H 1 6.804 . . . . . . A 334 TYR HE2 . 19914 1 254 . 1 1 29 29 TYR CA C 13 56.183 . . . . . . A 334 TYR CA . 19914 1 255 . 1 1 29 29 TYR CB C 13 44.513 . . . . . . A 334 TYR CB . 19914 1 256 . 1 1 29 29 TYR CD1 C 13 133.385 . . . . . . A 334 TYR CD1 . 19914 1 257 . 1 1 29 29 TYR CD2 C 13 133.385 . . . . . . A 334 TYR CD2 . 19914 1 258 . 1 1 29 29 TYR CE1 C 13 117.297 . . . . . . A 334 TYR CE1 . 19914 1 259 . 1 1 29 29 TYR CE2 C 13 117.297 . . . . . . A 334 TYR CE2 . 19914 1 260 . 1 1 29 29 TYR N N 15 119.816 . . . . . . A 334 TYR N . 19914 1 261 . 1 1 30 30 HIS H H 1 8.975 . . . . . . A 335 HIS H . 19914 1 262 . 1 1 30 30 HIS HA H 1 5.193 . . . . . . A 335 HIS HA . 19914 1 263 . 1 1 30 30 HIS HB2 H 1 2.966 . . . . . . A 335 HIS HB2 . 19914 1 264 . 1 1 30 30 HIS HB3 H 1 1.246 . . . . . . A 335 HIS HB3 . 19914 1 265 . 1 1 30 30 HIS HD2 H 1 6.555 . . . . . . A 335 HIS HD2 . 19914 1 266 . 1 1 30 30 HIS HE1 H 1 7.499 . . . . . . A 335 HIS HE1 . 19914 1 267 . 1 1 30 30 HIS HE2 H 1 12.036 . . . . . . A 335 HIS HE2 . 19914 1 268 . 1 1 30 30 HIS CA C 13 58.016 . . . . . . A 335 HIS CA . 19914 1 269 . 1 1 30 30 HIS CB C 13 30.573 . . . . . . A 335 HIS CB . 19914 1 270 . 1 1 30 30 HIS CD2 C 13 117.75 . . . . . . A 335 HIS CD2 . 19914 1 271 . 1 1 30 30 HIS CE1 C 13 138.964 . . . . . . A 335 HIS CE1 . 19914 1 272 . 1 1 30 30 HIS N N 15 122.34 . . . . . . A 335 HIS N . 19914 1 273 . 1 1 31 31 THR H H 1 8.721 . . . . . . A 336 THR H . 19914 1 274 . 1 1 31 31 THR HA H 1 3.569 . . . . . . A 336 THR HA . 19914 1 275 . 1 1 31 31 THR HB H 1 4.342 . . . . . . A 336 THR HB . 19914 1 276 . 1 1 31 31 THR HG21 H 1 1.036 . . . . . . A 336 THR HG2 . 19914 1 277 . 1 1 31 31 THR HG22 H 1 1.036 . . . . . . A 336 THR HG2 . 19914 1 278 . 1 1 31 31 THR HG23 H 1 1.036 . . . . . . A 336 THR HG2 . 19914 1 279 . 1 1 31 31 THR CA C 13 64.792 . . . . . . A 336 THR CA . 19914 1 280 . 1 1 31 31 THR CB C 13 65.853 . . . . . . A 336 THR CB . 19914 1 281 . 1 1 31 31 THR CG2 C 13 23.001 . . . . . . A 336 THR CG2 . 19914 1 282 . 1 1 31 31 THR N N 15 112.321 . . . . . . A 336 THR N . 19914 1 283 . 1 1 32 32 PHE H H 1 6.503 . . . . . . A 337 PHE H . 19914 1 284 . 1 1 32 32 PHE HA H 1 4.623 . . . . . . A 337 PHE HA . 19914 1 285 . 1 1 32 32 PHE HB2 H 1 3.482 . . . . . . A 337 PHE HB2 . 19914 1 286 . 1 1 32 32 PHE HB3 H 1 2.928 . . . . . . A 337 PHE HB3 . 19914 1 287 . 1 1 32 32 PHE HD2 H 1 7.104 . . . . . . A 337 PHE HD2 . 19914 1 288 . 1 1 32 32 PHE HE2 H 1 6.924 . . . . . . A 337 PHE HE2 . 19914 1 289 . 1 1 32 32 PHE HZ H 1 6.273 . . . . . . A 337 PHE HZ . 19914 1 290 . 1 1 32 32 PHE CB C 13 37.698 . . . . . . A 337 PHE CB . 19914 1 291 . 1 1 32 32 PHE CD1 C 13 132.759 . . . . . . A 337 PHE CD1 . 19914 1 292 . 1 1 32 32 PHE CD2 C 13 132.759 . . . . . . A 337 PHE CD2 . 19914 1 293 . 1 1 32 32 PHE CE1 C 13 131.75 . . . . . . A 337 PHE CE1 . 19914 1 294 . 1 1 32 32 PHE CE2 C 13 131.75 . . . . . . A 337 PHE CE2 . 19914 1 295 . 1 1 32 32 PHE CZ C 13 130.733 . . . . . . A 337 PHE CZ . 19914 1 296 . 1 1 32 32 PHE N N 15 110.965 . . . . . . A 337 PHE N . 19914 1 297 . 1 1 33 33 CYS H H 1 7.299 . . . . . . A 338 CYS H . 19914 1 298 . 1 1 33 33 CYS HA H 1 4.368 . . . . . . A 338 CYS HA . 19914 1 299 . 1 1 33 33 CYS HB2 H 1 3.241 . . . . . . A 338 CYS HB2 . 19914 1 300 . 1 1 33 33 CYS HB3 H 1 2.692 . . . . . . A 338 CYS HB3 . 19914 1 301 . 1 1 33 33 CYS CA C 13 61.854 . . . . . . A 338 CYS CA . 19914 1 302 . 1 1 33 33 CYS CB C 13 31.13 . . . . . . A 338 CYS CB . 19914 1 303 . 1 1 33 33 CYS N N 15 123.523 . . . . . . A 338 CYS N . 19914 1 304 . 1 1 34 34 LEU H H 1 6.423 . . . . . . A 339 LEU H . 19914 1 305 . 1 1 34 34 LEU HA H 1 3.946 . . . . . . A 339 LEU HA . 19914 1 306 . 1 1 34 34 LEU HB2 H 1 1.681 . . . . . . A 339 LEU HB2 . 19914 1 307 . 1 1 34 34 LEU HB3 H 1 1.393 . . . . . . A 339 LEU HB3 . 19914 1 308 . 1 1 34 34 LEU HG H 1 1.785 . . . . . . A 339 LEU HG . 19914 1 309 . 1 1 34 34 LEU HD11 H 1 0.741 . . . . . . A 339 LEU HD12 . 19914 1 310 . 1 1 34 34 LEU HD12 H 1 0.741 . . . . . . A 339 LEU HD12 . 19914 1 311 . 1 1 34 34 LEU HD13 H 1 0.741 . . . . . . A 339 LEU HD12 . 19914 1 312 . 1 1 34 34 LEU HD21 H 1 0.823 . . . . . . A 339 LEU HD22 . 19914 1 313 . 1 1 34 34 LEU HD22 H 1 0.823 . . . . . . A 339 LEU HD22 . 19914 1 314 . 1 1 34 34 LEU HD23 H 1 0.823 . . . . . . A 339 LEU HD22 . 19914 1 315 . 1 1 34 34 LEU CA C 13 55.368 . . . . . . A 339 LEU CA . 19914 1 316 . 1 1 34 34 LEU CB C 13 44.141 . . . . . . A 339 LEU CB . 19914 1 317 . 1 1 34 34 LEU CG C 13 27.097 . . . . . . A 339 LEU CG . 19914 1 318 . 1 1 34 34 LEU CD1 C 13 23.211 . . . . . . A 339 LEU CD1 . 19914 1 319 . 1 1 34 34 LEU CD2 C 13 27.047 . . . . . . A 339 LEU CD2 . 19914 1 320 . 1 1 34 34 LEU N N 15 119.082 . . . . . . A 339 LEU N . 19914 1 321 . 1 1 35 35 ILE H H 1 8.037 . . . . . . A 340 ILE H . 19914 1 322 . 1 1 35 35 ILE HA H 1 4.221 . . . . . . A 340 ILE HA . 19914 1 323 . 1 1 35 35 ILE HB H 1 1.723 . . . . . . A 340 ILE HB . 19914 1 324 . 1 1 35 35 ILE HG12 H 1 0.972 . . . . . . A 340 ILE HG12 . 19914 1 325 . 1 1 35 35 ILE HG13 H 1 1.565 . . . . . . A 340 ILE HG13 . 19914 1 326 . 1 1 35 35 ILE HG21 H 1 0.811 . . . . . . A 340 ILE HG22 . 19914 1 327 . 1 1 35 35 ILE HG22 H 1 0.811 . . . . . . A 340 ILE HG22 . 19914 1 328 . 1 1 35 35 ILE HG23 H 1 0.811 . . . . . . A 340 ILE HG22 . 19914 1 329 . 1 1 35 35 ILE HD11 H 1 0.872 . . . . . . A 340 ILE HD12 . 19914 1 330 . 1 1 35 35 ILE HD12 H 1 0.872 . . . . . . A 340 ILE HD12 . 19914 1 331 . 1 1 35 35 ILE HD13 H 1 0.872 . . . . . . A 340 ILE HD12 . 19914 1 332 . 1 1 35 35 ILE CA C 13 57.694 . . . . . . A 340 ILE CA . 19914 1 333 . 1 1 35 35 ILE CB C 13 40.082 . . . . . . A 340 ILE CB . 19914 1 334 . 1 1 35 35 ILE CG1 C 13 26.974 . . . . . . A 340 ILE CG1 . 19914 1 335 . 1 1 35 35 ILE CG2 C 13 17.226 . . . . . . A 340 ILE CG2 . 19914 1 336 . 1 1 35 35 ILE CD1 C 13 13.424 . . . . . . A 340 ILE CD1 . 19914 1 337 . 1 1 35 35 ILE N N 15 117.875 . . . . . . A 340 ILE N . 19914 1 338 . 1 1 36 36 PRO HA H 1 5.003 . . . . . . A 341 PRO HA . 19914 1 339 . 1 1 36 36 PRO HB2 H 1 2.407 . . . . . . A 341 PRO HB2 . 19914 1 340 . 1 1 36 36 PRO HB3 H 1 2.048 . . . . . . A 341 PRO HB3 . 19914 1 341 . 1 1 36 36 PRO HG2 H 1 1.877 . . . . . . A 341 PRO HG2 . 19914 1 342 . 1 1 36 36 PRO HG3 H 1 1.92 . . . . . . A 341 PRO HG3 . 19914 1 343 . 1 1 36 36 PRO HD2 H 1 3.518 . . . . . . A 341 PRO HD2 . 19914 1 344 . 1 1 36 36 PRO HD3 H 1 3.609 . . . . . . A 341 PRO HD3 . 19914 1 345 . 1 1 36 36 PRO CA C 13 62.027 . . . . . . A 341 PRO CA . 19914 1 346 . 1 1 36 36 PRO CB C 13 33.032 . . . . . . A 341 PRO CB . 19914 1 347 . 1 1 36 36 PRO CG C 13 24.833 . . . . . . A 341 PRO CG . 19914 1 348 . 1 1 36 36 PRO CD C 13 49.939 . . . . . . A 341 PRO CD . 19914 1 349 . 1 1 37 37 PRO HA H 1 4.386 . . . . . . A 342 PRO HA . 19914 1 350 . 1 1 37 37 PRO HB2 H 1 2.216 . . . . . . A 342 PRO HB2 . 19914 1 351 . 1 1 37 37 PRO HB3 H 1 1.733 . . . . . . A 342 PRO HB3 . 19914 1 352 . 1 1 37 37 PRO HG2 H 1 2.133 . . . . . . A 342 PRO HG2 . 19914 1 353 . 1 1 37 37 PRO HD2 H 1 3.662 . . . . . . A 342 PRO HD2 . 19914 1 354 . 1 1 37 37 PRO CA C 13 62.874 . . . . . . A 342 PRO CA . 19914 1 355 . 1 1 37 37 PRO CB C 13 32.103 . . . . . . A 342 PRO CB . 19914 1 356 . 1 1 37 37 PRO CG C 13 27.286 . . . . . . A 342 PRO CG . 19914 1 357 . 1 1 37 37 PRO CD C 13 49.882 . . . . . . A 342 PRO CD . 19914 1 358 . 1 1 38 38 LEU H H 1 7.666 . . . . . . A 343 LEU H . 19914 1 359 . 1 1 38 38 LEU HA H 1 4.486 . . . . . . A 343 LEU HA . 19914 1 360 . 1 1 38 38 LEU HB2 H 1 1.541 . . . . . . A 343 LEU HB2 . 19914 1 361 . 1 1 38 38 LEU HB3 H 1 1.275 . . . . . . A 343 LEU HB3 . 19914 1 362 . 1 1 38 38 LEU HG H 1 1.717 . . . . . . A 343 LEU HG . 19914 1 363 . 1 1 38 38 LEU HD11 H 1 0.732 . . . . . . A 343 LEU HD12 . 19914 1 364 . 1 1 38 38 LEU HD12 H 1 0.732 . . . . . . A 343 LEU HD12 . 19914 1 365 . 1 1 38 38 LEU HD13 H 1 0.732 . . . . . . A 343 LEU HD12 . 19914 1 366 . 1 1 38 38 LEU HD21 H 1 0.852 . . . . . . A 343 LEU HD22 . 19914 1 367 . 1 1 38 38 LEU HD22 H 1 0.852 . . . . . . A 343 LEU HD22 . 19914 1 368 . 1 1 38 38 LEU HD23 H 1 0.852 . . . . . . A 343 LEU HD22 . 19914 1 369 . 1 1 38 38 LEU CA C 13 53.31 . . . . . . A 343 LEU CA . 19914 1 370 . 1 1 38 38 LEU CB C 13 43.415 . . . . . . A 343 LEU CB . 19914 1 371 . 1 1 38 38 LEU CG C 13 27.014 . . . . . . A 343 LEU CG . 19914 1 372 . 1 1 38 38 LEU CD1 C 13 25.945 . . . . . . A 343 LEU CD1 . 19914 1 373 . 1 1 38 38 LEU CD2 C 13 22.822 . . . . . . A 343 LEU CD2 . 19914 1 374 . 1 1 38 38 LEU N N 15 119.708 . . . . . . A 343 LEU N . 19914 1 375 . 1 1 39 39 HIS HA H 1 4.356 . . . . . . A 344 HIS HA . 19914 1 376 . 1 1 39 39 HIS HB2 H 1 3.116 . . . . . . A 344 HIS HB2 . 19914 1 377 . 1 1 39 39 HIS HB3 H 1 3.039 . . . . . . A 344 HIS HB3 . 19914 1 378 . 1 1 39 39 HIS HD2 H 1 7.023 . . . . . . A 344 HIS HD2 . 19914 1 379 . 1 1 39 39 HIS HE1 H 1 7.916 . . . . . . A 344 HIS HE1 . 19914 1 380 . 1 1 39 39 HIS CA C 13 57.617 . . . . . . A 344 HIS CA . 19914 1 381 . 1 1 39 39 HIS CB C 13 30.462 . . . . . . A 344 HIS CB . 19914 1 382 . 1 1 39 39 HIS CD2 C 13 119.565 . . . . . . A 344 HIS CD2 . 19914 1 383 . 1 1 39 39 HIS CE1 C 13 138.019 . . . . . . A 344 HIS CE1 . 19914 1 384 . 1 1 40 40 ASP H H 1 7.517 . . . . . . A 345 ASP H . 19914 1 385 . 1 1 40 40 ASP HA H 1 4.794 . . . . . . A 345 ASP HA . 19914 1 386 . 1 1 40 40 ASP HB2 H 1 2.347 . . . . . . A 345 ASP HB2 . 19914 1 387 . 1 1 40 40 ASP HB3 H 1 2.448 . . . . . . A 345 ASP HB3 . 19914 1 388 . 1 1 40 40 ASP CB C 13 43.637 . . . . . . A 345 ASP CB . 19914 1 389 . 1 1 40 40 ASP N N 15 115.261 . . . . . . A 345 ASP N . 19914 1 390 . 1 1 41 41 VAL H H 1 8.773 . . . . . . A 346 VAL H . 19914 1 391 . 1 1 41 41 VAL HA H 1 3.707 . . . . . . A 346 VAL HA . 19914 1 392 . 1 1 41 41 VAL HB H 1 1.902 . . . . . . A 346 VAL HB . 19914 1 393 . 1 1 41 41 VAL HG11 H 1 0.779 . . . . . . A 346 VAL HG12 . 19914 1 394 . 1 1 41 41 VAL HG12 H 1 0.779 . . . . . . A 346 VAL HG12 . 19914 1 395 . 1 1 41 41 VAL HG13 H 1 0.779 . . . . . . A 346 VAL HG12 . 19914 1 396 . 1 1 41 41 VAL HG21 H 1 0.947 . . . . . . A 346 VAL HG22 . 19914 1 397 . 1 1 41 41 VAL HG22 H 1 0.947 . . . . . . A 346 VAL HG22 . 19914 1 398 . 1 1 41 41 VAL HG23 H 1 0.947 . . . . . . A 346 VAL HG22 . 19914 1 399 . 1 1 41 41 VAL CA C 13 61.05 . . . . . . A 346 VAL CA . 19914 1 400 . 1 1 41 41 VAL CB C 13 32.389 . . . . . . A 346 VAL CB . 19914 1 401 . 1 1 41 41 VAL CG1 C 13 20.522 . . . . . . A 346 VAL CG1 . 19914 1 402 . 1 1 41 41 VAL CG2 C 13 22.093 . . . . . . A 346 VAL CG2 . 19914 1 403 . 1 1 41 41 VAL N N 15 123.315 . . . . . . A 346 VAL N . 19914 1 404 . 1 1 42 42 PRO HA H 1 4.351 . . . . . . A 347 PRO HA . 19914 1 405 . 1 1 42 42 PRO HB2 H 1 1.839 . . . . . . A 347 PRO HB2 . 19914 1 406 . 1 1 42 42 PRO HG2 H 1 1.91 . . . . . . A 347 PRO HG2 . 19914 1 407 . 1 1 42 42 PRO HD2 H 1 3.168 . . . . . . A 347 PRO HD2 . 19914 1 408 . 1 1 42 42 PRO HD3 H 1 3.809 . . . . . . A 347 PRO HD3 . 19914 1 409 . 1 1 42 42 PRO CA C 13 62.858 . . . . . . A 347 PRO CA . 19914 1 410 . 1 1 42 42 PRO CB C 13 31.746 . . . . . . A 347 PRO CB . 19914 1 411 . 1 1 42 42 PRO CG C 13 27.52 . . . . . . A 347 PRO CG . 19914 1 412 . 1 1 42 42 PRO CD C 13 51.086 . . . . . . A 347 PRO CD . 19914 1 413 . 1 1 43 43 LYS H H 1 8.581 . . . . . . A 348 LYS H . 19914 1 414 . 1 1 43 43 LYS HA H 1 4.191 . . . . . . A 348 LYS HA . 19914 1 415 . 1 1 43 43 LYS HB2 H 1 1.753 . . . . . . A 348 LYS HB2 . 19914 1 416 . 1 1 43 43 LYS HB3 H 1 1.807 . . . . . . A 348 LYS HB3 . 19914 1 417 . 1 1 43 43 LYS HG2 H 1 1.47 . . . . . . A 348 LYS HG2 . 19914 1 418 . 1 1 43 43 LYS HD2 H 1 1.662 . . . . . . A 348 LYS HD2 . 19914 1 419 . 1 1 43 43 LYS HE2 H 1 2.975 . . . . . . A 348 LYS HE2 . 19914 1 420 . 1 1 43 43 LYS CA C 13 56.833 . . . . . . A 348 LYS CA . 19914 1 421 . 1 1 43 43 LYS CB C 13 32.537 . . . . . . A 348 LYS CB . 19914 1 422 . 1 1 43 43 LYS CG C 13 25.046 . . . . . . A 348 LYS CG . 19914 1 423 . 1 1 43 43 LYS CD C 13 28.857 . . . . . . A 348 LYS CD . 19914 1 424 . 1 1 43 43 LYS N N 15 121.135 . . . . . . A 348 LYS N . 19914 1 425 . 1 1 44 44 GLY H H 1 8.286 . . . . . . A 349 GLY H . 19914 1 426 . 1 1 44 44 GLY HA2 H 1 4.179 . . . . . . A 349 GLY HA2 . 19914 1 427 . 1 1 44 44 GLY HA3 H 1 3.803 . . . . . . A 349 GLY HA3 . 19914 1 428 . 1 1 44 44 GLY CA C 13 43.97 . . . . . . A 349 GLY CA . 19914 1 429 . 1 1 44 44 GLY N N 15 108.616 . . . . . . A 349 GLY N . 19914 1 430 . 1 1 45 45 ASP H H 1 8.235 . . . . . . A 350 ASP H . 19914 1 431 . 1 1 45 45 ASP HA H 1 4.638 . . . . . . A 350 ASP HA . 19914 1 432 . 1 1 45 45 ASP HB2 H 1 2.607 . . . . . . A 350 ASP HB2 . 19914 1 433 . 1 1 45 45 ASP CB C 13 41.863 . . . . . . A 350 ASP CB . 19914 1 434 . 1 1 45 45 ASP N N 15 120.253 . . . . . . A 350 ASP N . 19914 1 435 . 1 1 46 46 TRP H H 1 9.548 . . . . . . A 351 TRP H . 19914 1 436 . 1 1 46 46 TRP HA H 1 4.494 . . . . . . A 351 TRP HA . 19914 1 437 . 1 1 46 46 TRP HB2 H 1 2.828 . . . . . . A 351 TRP HB2 . 19914 1 438 . 1 1 46 46 TRP HB3 H 1 3.342 . . . . . . A 351 TRP HB3 . 19914 1 439 . 1 1 46 46 TRP HD1 H 1 7.245 . . . . . . A 351 TRP HD1 . 19914 1 440 . 1 1 46 46 TRP HE1 H 1 9.839 . . . . . . A 351 TRP HE1 . 19914 1 441 . 1 1 46 46 TRP HE3 H 1 7.227 . . . . . . A 351 TRP HE3 . 19914 1 442 . 1 1 46 46 TRP HZ2 H 1 7.079 . . . . . . A 351 TRP HZ2 . 19914 1 443 . 1 1 46 46 TRP HZ3 H 1 6.7 . . . . . . A 351 TRP HZ3 . 19914 1 444 . 1 1 46 46 TRP HH2 H 1 6.592 . . . . . . A 351 TRP HH2 . 19914 1 445 . 1 1 46 46 TRP CA C 13 59.903 . . . . . . A 351 TRP CA . 19914 1 446 . 1 1 46 46 TRP CB C 13 31.221 . . . . . . A 351 TRP CB . 19914 1 447 . 1 1 46 46 TRP CD1 C 13 126.256 . . . . . . A 351 TRP CD1 . 19914 1 448 . 1 1 46 46 TRP CE3 C 13 121.434 . . . . . . A 351 TRP CE3 . 19914 1 449 . 1 1 46 46 TRP CZ2 C 13 114.689 . . . . . . A 351 TRP CZ2 . 19914 1 450 . 1 1 46 46 TRP CZ3 C 13 119.477 . . . . . . A 351 TRP CZ3 . 19914 1 451 . 1 1 46 46 TRP CH2 C 13 122.038 . . . . . . A 351 TRP CH2 . 19914 1 452 . 1 1 46 46 TRP N N 15 124.443 . . . . . . A 351 TRP N . 19914 1 453 . 1 1 46 46 TRP NE1 N 15 129.348 . . . . . . A 351 TRP NE1 . 19914 1 454 . 1 1 47 47 ARG H H 1 6.761 . . . . . . A 352 ARG H . 19914 1 455 . 1 1 47 47 ARG HA H 1 4.966 . . . . . . A 352 ARG HA . 19914 1 456 . 1 1 47 47 ARG HB2 H 1 1.151 . . . . . . A 352 ARG HB2 . 19914 1 457 . 1 1 47 47 ARG HG2 H 1 1.26 . . . . . . A 352 ARG HG2 . 19914 1 458 . 1 1 47 47 ARG HG3 H 1 1.463 . . . . . . A 352 ARG HG3 . 19914 1 459 . 1 1 47 47 ARG HD2 H 1 2.845 . . . . . . A 352 ARG HD2 . 19914 1 460 . 1 1 47 47 ARG HD3 H 1 2.907 . . . . . . A 352 ARG HD3 . 19914 1 461 . 1 1 47 47 ARG CA C 13 52.486 . . . . . . A 352 ARG CA . 19914 1 462 . 1 1 47 47 ARG CB C 13 33.767 . . . . . . A 352 ARG CB . 19914 1 463 . 1 1 47 47 ARG CG C 13 27.922 . . . . . . A 352 ARG CG . 19914 1 464 . 1 1 47 47 ARG CD C 13 43.118 . . . . . . A 352 ARG CD . 19914 1 465 . 1 1 47 47 ARG CZ C 13 145.032 . . . . . . A 352 ARG CZ . 19914 1 466 . 1 1 47 47 ARG N N 15 124.482 . . . . . . A 352 ARG N . 19914 1 467 . 1 1 48 48 CYS H H 1 8.955 . . . . . . A 353 CYS H . 19914 1 468 . 1 1 48 48 CYS HA H 1 3.709 . . . . . . A 353 CYS HA . 19914 1 469 . 1 1 48 48 CYS HB2 H 1 3.121 . . . . . . A 353 CYS HB2 . 19914 1 470 . 1 1 48 48 CYS HB3 H 1 2.392 . . . . . . A 353 CYS HB3 . 19914 1 471 . 1 1 48 48 CYS CA C 13 56.662 . . . . . . A 353 CYS CA . 19914 1 472 . 1 1 48 48 CYS CB C 13 29.954 . . . . . . A 353 CYS CB . 19914 1 473 . 1 1 48 48 CYS N N 15 124.884 . . . . . . A 353 CYS N . 19914 1 474 . 1 1 49 49 PRO HA H 1 3.961 . . . . . . A 354 PRO HA . 19914 1 475 . 1 1 49 49 PRO HB3 H 1 3.045 . . . . . . A 354 PRO HB3 . 19914 1 476 . 1 1 49 49 PRO HG2 H 1 1.872 . . . . . . A 354 PRO HG2 . 19914 1 477 . 1 1 49 49 PRO HD2 H 1 3.277 . . . . . . A 354 PRO HD2 . 19914 1 478 . 1 1 49 49 PRO HD3 H 1 3.007 . . . . . . A 354 PRO HD3 . 19914 1 479 . 1 1 49 49 PRO CA C 13 65.401 . . . . . . A 354 PRO CA . 19914 1 480 . 1 1 49 49 PRO CG C 13 27.618 . . . . . . A 354 PRO CG . 19914 1 481 . 1 1 49 49 PRO CD C 13 49.623 . . . . . . A 354 PRO CD . 19914 1 482 . 1 1 50 50 LYS H H 1 7.769 . . . . . . A 355 LYS H . 19914 1 483 . 1 1 50 50 LYS HA H 1 4.053 . . . . . . A 355 LYS HA . 19914 1 484 . 1 1 50 50 LYS HB2 H 1 2.333 . . . . . . A 355 LYS HB2 . 19914 1 485 . 1 1 50 50 LYS HB3 H 1 1.882 . . . . . . A 355 LYS HB3 . 19914 1 486 . 1 1 50 50 LYS HG2 H 1 1.512 . . . . . . A 355 LYS HG2 . 19914 1 487 . 1 1 50 50 LYS HG3 H 1 1.303 . . . . . . A 355 LYS HG3 . 19914 1 488 . 1 1 50 50 LYS HD2 H 1 1.768 . . . . . . A 355 LYS HD2 . 19914 1 489 . 1 1 50 50 LYS HE2 H 1 2.975 . . . . . . A 355 LYS HE2 . 19914 1 490 . 1 1 50 50 LYS CA C 13 59.467 . . . . . . A 355 LYS CA . 19914 1 491 . 1 1 50 50 LYS CB C 13 32.404 . . . . . . A 355 LYS CB . 19914 1 492 . 1 1 50 50 LYS CG C 13 25.155 . . . . . . A 355 LYS CG . 19914 1 493 . 1 1 50 50 LYS CD C 13 29.14 . . . . . . A 355 LYS CD . 19914 1 494 . 1 1 50 50 LYS CE C 13 42.06 . . . . . . A 355 LYS CE . 19914 1 495 . 1 1 50 50 LYS N N 15 118.518 . . . . . . A 355 LYS N . 19914 1 496 . 1 1 51 51 CYS H H 1 8.367 . . . . . . A 356 CYS H . 19914 1 497 . 1 1 51 51 CYS HA H 1 3.823 . . . . . . A 356 CYS HA . 19914 1 498 . 1 1 51 51 CYS HB2 H 1 2.714 . . . . . . A 356 CYS HB2 . 19914 1 499 . 1 1 51 51 CYS CA C 13 65.005 . . . . . . A 356 CYS CA . 19914 1 500 . 1 1 51 51 CYS CB C 13 28.457 . . . . . . A 356 CYS CB . 19914 1 501 . 1 1 51 51 CYS N N 15 124.003 . . . . . . A 356 CYS N . 19914 1 502 . 1 1 52 52 LEU H H 1 7.987 . . . . . . A 357 LEU H . 19914 1 503 . 1 1 52 52 LEU HA H 1 3.935 . . . . . . A 357 LEU HA . 19914 1 504 . 1 1 52 52 LEU HB2 H 1 1.429 . . . . . . A 357 LEU HB2 . 19914 1 505 . 1 1 52 52 LEU HB3 H 1 1.351 . . . . . . A 357 LEU HB3 . 19914 1 506 . 1 1 52 52 LEU HG H 1 1.339 . . . . . . A 357 LEU HG . 19914 1 507 . 1 1 52 52 LEU HD11 H 1 0.62 . . . . . . A 357 LEU HD12 . 19914 1 508 . 1 1 52 52 LEU HD12 H 1 0.62 . . . . . . A 357 LEU HD12 . 19914 1 509 . 1 1 52 52 LEU HD13 H 1 0.62 . . . . . . A 357 LEU HD12 . 19914 1 510 . 1 1 52 52 LEU HD21 H 1 0.629 . . . . . . A 357 LEU HD22 . 19914 1 511 . 1 1 52 52 LEU HD22 H 1 0.629 . . . . . . A 357 LEU HD22 . 19914 1 512 . 1 1 52 52 LEU HD23 H 1 0.629 . . . . . . A 357 LEU HD22 . 19914 1 513 . 1 1 52 52 LEU CA C 13 55.872 . . . . . . A 357 LEU CA . 19914 1 514 . 1 1 52 52 LEU CB C 13 41.937 . . . . . . A 357 LEU CB . 19914 1 515 . 1 1 52 52 LEU CG C 13 25.888 . . . . . . A 357 LEU CG . 19914 1 516 . 1 1 52 52 LEU CD1 C 13 25.581 . . . . . . A 357 LEU CD1 . 19914 1 517 . 1 1 52 52 LEU CD2 C 13 22.973 . . . . . . A 357 LEU CD2 . 19914 1 518 . 1 1 52 52 LEU N N 15 119.215 . . . . . . A 357 LEU N . 19914 1 519 . 1 1 53 53 ALA H H 1 7.336 . . . . . . A 358 ALA H . 19914 1 520 . 1 1 53 53 ALA HA H 1 4.19 . . . . . . A 358 ALA HA . 19914 1 521 . 1 1 53 53 ALA HB1 H 1 1.382 . . . . . . A 358 ALA HB2 . 19914 1 522 . 1 1 53 53 ALA HB2 H 1 1.382 . . . . . . A 358 ALA HB2 . 19914 1 523 . 1 1 53 53 ALA HB3 H 1 1.382 . . . . . . A 358 ALA HB2 . 19914 1 524 . 1 1 53 53 ALA CA C 13 52.818 . . . . . . A 358 ALA CA . 19914 1 525 . 1 1 53 53 ALA CB C 13 18.606 . . . . . . A 358 ALA CB . 19914 1 526 . 1 1 53 53 ALA N N 15 120.997 . . . . . . A 358 ALA N . 19914 1 527 . 1 1 54 54 GLN H H 1 7.637 . . . . . . A 359 GLN H . 19914 1 528 . 1 1 54 54 GLN HA H 1 4.238 . . . . . . A 359 GLN HA . 19914 1 529 . 1 1 54 54 GLN HB2 H 1 2.119 . . . . . . A 359 GLN HB2 . 19914 1 530 . 1 1 54 54 GLN HB3 H 1 1.942 . . . . . . A 359 GLN HB3 . 19914 1 531 . 1 1 54 54 GLN HG2 H 1 2.343 . . . . . . A 359 GLN HG2 . 19914 1 532 . 1 1 54 54 GLN HE21 H 1 7.482 . . . . . . A 359 GLN HE1 . 19914 1 533 . 1 1 54 54 GLN HE22 H 1 6.849 . . . . . . A 359 GLN HE2 . 19914 1 534 . 1 1 54 54 GLN CA C 13 55.666 . . . . . . A 359 GLN CA . 19914 1 535 . 1 1 54 54 GLN CB C 13 29.482 . . . . . . A 359 GLN CB . 19914 1 536 . 1 1 54 54 GLN CG C 13 33.823 . . . . . . A 359 GLN CG . 19914 1 537 . 1 1 54 54 GLN N N 15 117.963 . . . . . . A 359 GLN N . 19914 1 538 . 1 1 54 54 GLN NE2 N 15 112.784 . . . . . . A 359 GLN NE2 . 19914 1 539 . 1 1 55 55 GLU H H 1 7.776 . . . . . . A 360 GLU H . 19914 1 540 . 1 1 55 55 GLU HA H 1 4.009 . . . . . . A 360 GLU HA . 19914 1 541 . 1 1 55 55 GLU HB2 H 1 1.982 . . . . . . A 360 GLU HB2 . 19914 1 542 . 1 1 55 55 GLU HB3 H 1 1.842 . . . . . . A 360 GLU HB3 . 19914 1 543 . 1 1 55 55 GLU HG2 H 1 2.168 . . . . . . A 360 GLU HG2 . 19914 1 544 . 1 1 55 55 GLU CA C 13 58.187 . . . . . . A 360 GLU CA . 19914 1 545 . 1 1 55 55 GLU CB C 13 31.003 . . . . . . A 360 GLU CB . 19914 1 546 . 1 1 55 55 GLU CG C 13 36.721 . . . . . . A 360 GLU CG . 19914 1 547 . 1 1 55 55 GLU N N 15 126.928 . . . . . . A 360 GLU N . 19914 1 548 . 4 3 1 1 ALA HA H 1 4.352 . . . . . . B 363 ALA HA . 19914 1 549 . 4 3 1 1 ALA HB1 H 1 1.171 . . . . . . B 363 ALA HB2 . 19914 1 550 . 4 3 1 1 ALA HB2 H 1 1.372 . . . . . . B 363 ALA HB2 . 19914 1 551 . 4 3 1 1 ALA HB3 H 1 1.171 . . . . . . B 363 ALA HB2 . 19914 1 552 . 4 3 2 2 ARG H H 1 8.11 . . . . . . B 364 ARG H . 19914 1 553 . 4 3 2 2 ARG HA H 1 4.284 . . . . . . B 364 ARG HA . 19914 1 554 . 4 3 2 2 ARG HB2 H 1 1.931 . . . . . . B 364 ARG HB2 . 19914 1 555 . 4 3 2 2 ARG HB3 H 1 1.711 . . . . . . B 364 ARG HB3 . 19914 1 556 . 4 3 2 2 ARG HG2 H 1 1.163 . . . . . . B 364 ARG HG2 . 19914 1 557 . 4 3 2 2 ARG HG3 H 1 1.653 . . . . . . B 364 ARG HG3 . 19914 1 558 . 4 3 2 2 ARG HD2 H 1 2.434 . . . . . . B 364 ARG HD2 . 19914 1 559 . 4 3 2 2 ARG HD3 H 1 2.287 . . . . . . B 364 ARG HD3 . 19914 1 560 . 4 3 2 2 ARG HE H 1 6.395 . . . . . . B 364 ARG HE . 19914 1 561 . 4 3 3 3 THR H H 1 8.028 . . . . . . B 365 THR H . 19914 1 562 . 4 3 3 3 THR HA H 1 4.225 . . . . . . B 365 THR HA . 19914 1 563 . 4 3 3 3 THR HB H 1 3.768 . . . . . . B 365 THR HB . 19914 1 564 . 4 3 3 3 THR HG21 H 1 1.066 . . . . . . B 365 THR HG23 . 19914 1 565 . 4 3 3 3 THR HG22 H 1 1.066 . . . . . . B 365 THR HG23 . 19914 1 566 . 4 3 3 3 THR HG23 H 1 1.066 . . . . . . B 365 THR HG23 . 19914 1 567 . 4 3 4 4 LYS H H 1 8.04 . . . . . . B 366 LYS H . 19914 1 568 . 4 3 4 4 LYS HA H 1 4.117 . . . . . . B 366 LYS HA . 19914 1 569 . 4 3 4 4 LYS HB2 H 1 1.317 . . . . . . B 366 LYS HB2 . 19914 1 570 . 4 3 4 4 LYS HB3 H 1 2.274 . . . . . . B 366 LYS HB3 . 19914 1 571 . 4 3 4 4 LYS HG2 H 1 2.073 . . . . . . B 366 LYS HG2 . 19914 1 572 . 4 3 4 4 LYS HG3 H 1 1.84 . . . . . . B 366 LYS HG3 . 19914 1 573 . 4 3 4 4 LYS HD2 H 1 1.673 . . . . . . B 366 LYS HD2 . 19914 1 574 . 4 3 4 4 LYS HD3 H 1 1.582 . . . . . . B 366 LYS HD3 . 19914 1 575 . 4 3 4 4 LYS HE2 H 1 3.172 . . . . . . B 366 LYS HE2 . 19914 1 576 . 4 3 5 5 GLN HA H 1 4.44 . . . . . . B 367 GLN HA . 19914 1 577 . 4 3 5 5 GLN HB2 H 1 1.819 . . . . . . B 367 GLN HB2 . 19914 1 578 . 4 3 5 5 GLN HB3 H 1 1.641 . . . . . . B 367 GLN HB3 . 19914 1 579 . 4 3 5 5 GLN HG2 H 1 3.188 . . . . . . B 367 GLN HG2 . 19914 1 580 . 4 3 5 5 GLN HE21 H 1 6.445 . . . . . . B 367 GLN HE21 . 19914 1 581 . 4 3 5 5 GLN HE22 H 1 7.548 . . . . . . B 367 GLN HE22 . 19914 1 582 . 4 3 6 6 THR H H 1 8.25 . . . . . . B 368 THR H . 19914 1 583 . 4 3 6 6 THR HA H 1 4.037 . . . . . . B 368 THR HA . 19914 1 584 . 4 3 6 6 THR HB H 1 3.567 . . . . . . B 368 THR HB . 19914 1 585 . 4 3 6 6 THR HG1 H 1 5.098 . . . . . . B 368 THR HG1 . 19914 1 586 . 4 3 6 6 THR HG21 H 1 1.249 . . . . . . B 368 THR HG23 . 19914 1 587 . 4 3 6 6 THR HG22 H 1 1.756 . . . . . . B 368 THR HG22 . 19914 1 588 . 4 3 6 6 THR HG23 H 1 1.249 . . . . . . B 368 THR HG23 . 19914 1 589 . 4 3 7 7 ALA HA H 1 4.056 . . . . . . B 369 ALA HA . 19914 1 590 . 4 3 7 7 ALA HB1 H 1 1.489 . . . . . . B 369 ALA HB2 . 19914 1 591 . 4 3 7 7 ALA HB2 H 1 1.489 . . . . . . B 369 ALA HB2 . 19914 1 592 . 4 3 7 7 ALA HB3 H 1 1.489 . . . . . . B 369 ALA HB2 . 19914 1 593 . 4 3 8 8 ARG H H 1 8.043 . . . . . . B 370 ARG H . 19914 1 594 . 4 3 8 8 ARG HA H 1 4.257 . . . . . . B 370 ARG HA . 19914 1 595 . 4 3 8 8 ARG HB2 H 1 1.458 . . . . . . B 370 ARG HB2 . 19914 1 596 . 4 3 8 8 ARG HB3 H 1 1.887 . . . . . . B 370 ARG HB3 . 19914 1 597 . 4 3 8 8 ARG HG2 H 1 1.683 . . . . . . B 370 ARG HG2 . 19914 1 598 . 4 3 8 8 ARG HD2 H 1 3.961 . . . . . . B 370 ARG HD2 . 19914 1 599 . 4 3 8 8 ARG HD3 H 1 2.982 . . . . . . B 370 ARG HD3 . 19914 1 600 . 4 3 8 8 ARG HE H 1 6.371 . . . . . . B 370 ARG HE . 19914 1 601 . 4 3 9 9 LYS H H 1 7.995 . . . . . . B 371 LYS H . 19914 1 602 . 4 3 9 9 LYS HA H 1 3.742 . . . . . . B 371 LYS HA . 19914 1 603 . 4 3 9 9 LYS HB2 H 1 1.438 . . . . . . B 371 LYS HB2 . 19914 1 604 . 4 3 9 9 LYS HB3 H 1 1.872 . . . . . . B 371 LYS HB3 . 19914 1 605 . 4 3 9 9 LYS HD2 H 1 1.597 . . . . . . B 371 LYS HD2 . 19914 1 606 . 4 3 9 9 LYS HD3 H 1 1.679 . . . . . . B 371 LYS HD3 . 19914 1 607 . 4 3 9 9 LYS HE2 H 1 3.019 . . . . . . B 371 LYS HE2 . 19914 1 608 . 4 3 9 9 LYS HE3 H 1 3.208 . . . . . . B 371 LYS HE3 . 19914 1 609 . 4 3 10 10 SER H H 1 8.035 . . . . . . B 372 SER H . 19914 1 610 . 4 3 10 10 SER HA H 1 4.294 . . . . . . B 372 SER HA . 19914 1 611 . 4 3 10 10 SER HB2 H 1 3.812 . . . . . . B 372 SER HB2 . 19914 1 612 . 4 3 10 10 SER HB3 H 1 3.873 . . . . . . B 372 SER HB3 . 19914 1 stop_ save_