data_17494 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17494 _Entry.Title ; Zinc knuckle in PRDM4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-26 _Entry.Accession_date 2011-02-26 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Klara Briknarova . . . 17494 2 Daniel Atwater . Z. . 17494 3 Jessica Glicken . M. . 17494 4 Stacy Maynard . J. . 17494 5 Tara Ness . E. . 17494 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 17494 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID meisetz . 17494 PRDM10 . 17494 PRDM4 . 17494 PRDM6 . 17494 PRDM9 . 17494 'PR domain' . 17494 'SET domain' . 17494 'zinc-binding domain' . 17494 'zinc knuckle' . 17494 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17494 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 36 17494 '1H chemical shifts' 258 17494 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 2 . . 2011-06-24 2011-02-26 update BMRB 'update entry citation' 17494 1 . . 2011-06-01 2011-02-26 original author 'original release' 17494 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L9Z 'BMRB Entry Tracking System' 17494 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17494 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21604305 _Citation.Full_citation . _Citation.Title 'The PR/SET domain in PRDM4 is preceded by a zinc knuckle.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 79 _Citation.Journal_issue 7 _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 2341 _Citation.Page_last 2345 _Citation.Year 2011 _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 Klara Briknarova . . . 17494 1 2 Daniel Atwater . Z. . 17494 1 3 Jessica Glicken . M. . 17494 1 4 Stacy Maynard . J. . 17494 1 5 Tara Ness . E. . 17494 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17494 _Assembly.ID 1 _Assembly.Name 'Zinc knuckle in PRDM4' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 PRDM4(366-402) 1 $PRDM4(366-402) A . yes native no no . . . 17494 1 2 'ZINC ION' 2 $ZN B . no native no no . . . 17494 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 HIS 28 28 ND1 . 2 . 2 ZN 1 1 ZN . . 391 . . . . . . . 17494 1 2 coordination single . 1 . 1 CYS 14 14 SG . 2 . 2 ZN 1 1 ZN . . 377 . . . . . . . 17494 1 3 coordination single . 1 . 1 CYS 17 17 SG . 2 . 2 ZN 1 1 ZN . . 380 . . . . . . . 17494 1 4 coordination single . 1 . 1 CYS 25 25 SG . 2 . 2 ZN 1 1 ZN . . 388 . . . . . . . 17494 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PRDM4(366-402) _Entity.Sf_category entity _Entity.Sf_framecode PRDM4(366-402) _Entity.Entry_ID 17494 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PRDM4(366-402) _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 ; GSKENMATLFTIWCTLCDRA YPSDCPEHGPVTFVPDTPI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'G364 and S365 are cloning artefacts' _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 39 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'zinc knuckle from PRDM4' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4316.912 _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 PDB 2L9Z . "Zinc Knuckle In Prdm4" . . . . . 100.00 39 100.00 100.00 7.14e-20 . . . . 17494 1 2 no DBJ BAG10863 . "PR domain zinc finger protein 4 [synthetic construct]" . . . . . 97.44 801 97.37 100.00 2.14e-17 . . . . 17494 1 3 no DBJ BAG51692 . "unnamed protein product [Homo sapiens]" . . . . . 97.44 801 97.37 100.00 2.10e-17 . . . . 17494 1 4 no EMBL CAB61401 . "hypothetical protein [Homo sapiens]" . . . . . 97.44 725 97.37 100.00 2.27e-17 . . . . 17494 1 5 no EMBL CAH92945 . "hypothetical protein [Pongo abelii]" . . . . . 97.44 801 97.37 100.00 2.18e-17 . . . . 17494 1 6 no GB AAD55249 . "PR-domain zinc-finger protein PFM1 [Homo sapiens]" . . . . . 97.44 801 97.37 100.00 2.18e-17 . . . . 17494 1 7 no GB AAH35581 . "PR domain containing 4 [Homo sapiens]" . . . . . 97.44 801 97.37 100.00 2.14e-17 . . . . 17494 1 8 no GB ABM82163 . "PR domain containing 4 [synthetic construct]" . . . . . 97.44 801 97.37 100.00 2.14e-17 . . . . 17494 1 9 no GB ABM85348 . "PR domain containing 4 [synthetic construct]" . . . . . 97.44 801 97.37 100.00 2.14e-17 . . . . 17494 1 10 no GB AIC50813 . "PRDM4, partial [synthetic construct]" . . . . . 97.44 801 97.37 100.00 2.14e-17 . . . . 17494 1 11 no REF NP_001126735 . "PR domain zinc finger protein 4 [Pongo abelii]" . . . . . 97.44 801 97.37 100.00 2.18e-17 . . . . 17494 1 12 no REF NP_001244489 . "PR domain zinc finger protein 4 [Macaca mulatta]" . . . . . 97.44 801 97.37 100.00 2.29e-17 . . . . 17494 1 13 no REF NP_036538 . "PR domain zinc finger protein 4 [Homo sapiens]" . . . . . 97.44 801 97.37 100.00 2.14e-17 . . . . 17494 1 14 no REF XP_001162965 . "PREDICTED: PR domain zinc finger protein 4 isoform X2 [Pan troglodytes]" . . . . . 97.44 801 97.37 100.00 2.22e-17 . . . . 17494 1 15 no REF XP_002807184 . "PREDICTED: LOW QUALITY PROTEIN: PR domain zinc finger protein 4 [Callithrix jacchus]" . . . . . 97.44 801 97.37 100.00 2.33e-17 . . . . 17494 1 16 no SP Q5R5M1 . "RecName: Full=PR domain zinc finger protein 4; AltName: Full=PR domain-containing protein 4" . . . . . 97.44 801 97.37 100.00 2.18e-17 . . . . 17494 1 17 no SP Q9UKN5 . "RecName: Full=PR domain zinc finger protein 4; AltName: Full=PR domain-containing protein 4" . . . . . 97.44 801 97.37 100.00 2.14e-17 . . . . 17494 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 1 364 GLY . 17494 1 2 365 SER . 17494 1 3 366 LYS . 17494 1 4 367 GLU . 17494 1 5 368 ASN . 17494 1 6 369 MET . 17494 1 7 370 ALA . 17494 1 8 371 THR . 17494 1 9 372 LEU . 17494 1 10 373 PHE . 17494 1 11 374 THR . 17494 1 12 375 ILE . 17494 1 13 376 TRP . 17494 1 14 377 CYS . 17494 1 15 378 THR . 17494 1 16 379 LEU . 17494 1 17 380 CYS . 17494 1 18 381 ASP . 17494 1 19 382 ARG . 17494 1 20 383 ALA . 17494 1 21 384 TYR . 17494 1 22 385 PRO . 17494 1 23 386 SER . 17494 1 24 387 ASP . 17494 1 25 388 CYS . 17494 1 26 389 PRO . 17494 1 27 390 GLU . 17494 1 28 391 HIS . 17494 1 29 392 GLY . 17494 1 30 393 PRO . 17494 1 31 394 VAL . 17494 1 32 395 THR . 17494 1 33 396 PHE . 17494 1 34 397 VAL . 17494 1 35 398 PRO . 17494 1 36 399 ASP . 17494 1 37 400 THR . 17494 1 38 401 PRO . 17494 1 39 402 ILE . 17494 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17494 1 . SER 2 2 17494 1 . LYS 3 3 17494 1 . GLU 4 4 17494 1 . ASN 5 5 17494 1 . MET 6 6 17494 1 . ALA 7 7 17494 1 . THR 8 8 17494 1 . LEU 9 9 17494 1 . PHE 10 10 17494 1 . THR 11 11 17494 1 . ILE 12 12 17494 1 . TRP 13 13 17494 1 . CYS 14 14 17494 1 . THR 15 15 17494 1 . LEU 16 16 17494 1 . CYS 17 17 17494 1 . ASP 18 18 17494 1 . ARG 19 19 17494 1 . ALA 20 20 17494 1 . TYR 21 21 17494 1 . PRO 22 22 17494 1 . SER 23 23 17494 1 . ASP 24 24 17494 1 . CYS 25 25 17494 1 . PRO 26 26 17494 1 . GLU 27 27 17494 1 . HIS 28 28 17494 1 . GLY 29 29 17494 1 . PRO 30 30 17494 1 . VAL 31 31 17494 1 . THR 32 32 17494 1 . PHE 33 33 17494 1 . VAL 34 34 17494 1 . PRO 35 35 17494 1 . ASP 36 36 17494 1 . THR 37 37 17494 1 . PRO 38 38 17494 1 . ILE 39 39 17494 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17494 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 17494 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 17494 _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 $PRDM4(366-402) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17494 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 17494 _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 $PRDM4(366-402) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-CodonPlus(DE3)-RIL . . . . . . . . . . . . . . . pGEX-4T1 . . . . . . 17494 1 2 2 $ZN . chemical 'not applicable' . . . not applicable . . . . . . . . . . . . . . . . 'not applicable' . . . . . . 17494 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 17494 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Mar 9 11:03:10 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 17494 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 17494 ZN [Zn++] SMILES CACTVS 3.341 17494 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17494 ZN [Zn+2] SMILES ACDLabs 10.04 17494 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17494 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17494 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 17494 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17494 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17494 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_H2O_sample _Sample.Sf_category sample _Sample.Sf_framecode H2O_sample _Sample.Entry_ID 17494 _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 PRDM4(366-402) 'natural abundance' . . 1 $PRDM4(366-402) . . 0.5 . . mM . . . . 17494 1 2 'ZINC ION' 'natural abundance' . . 2 $ZN . . 2.5 . . mM . . . . 17494 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17494 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17494 1 5 d11-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 17494 1 6 d16-TCEP 'natural abundance' . . . . . . 2.5 . . mM . . . . 17494 1 stop_ save_ save_D2O_sample _Sample.Sf_category sample _Sample.Sf_framecode D2O_sample _Sample.Entry_ID 17494 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 PRDM4(366-402) 'natural abundance' . . 1 $PRDM4(366-402) . . 0.5 . . mM . . . . 17494 2 2 'ZINC ION' 'natural abundance' . . 2 $ZN . . 2.5 . . mM . . . . 17494 2 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17494 2 4 d11-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 17494 2 5 d16-TCEP 'natural abundance' . . . . . . 2.5 . . mM . . . . 17494 2 stop_ save_ save_15N_sample _Sample.Sf_category sample _Sample.Sf_framecode 15N_sample _Sample.Entry_ID 17494 _Sample.ID 3 _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 PRDM4(366-402) '[U-100% 15N]' . . 1 $PRDM4(366-402) . . 0.25 . . mM . . . . 17494 3 2 'ZINC ION' 'natural abundance' . . 2 $ZN . . 1.6 . . mM . . . . 17494 3 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17494 3 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17494 3 5 d11-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 17494 3 6 d16-TCEP 'natural abundance' . . . . . . 2.5 . . mM . . . . 17494 3 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 17494 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.15 0.1 pH 17494 1 pressure 1 . atm 17494 1 temperature 298 . K 17494 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17494 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17494 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17494 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 17494 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Felix NMR Inc.' . . 17494 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17494 2 'data analysis' 17494 2 processing 17494 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 17494 _Software.ID 3 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 17494 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17494 3 'structure solution' 17494 3 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 17494 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _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 17494 _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 'Uniform NMR System' . 600 . . . 17494 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 17494 _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 DQF-COSY' no . . . . . . . . . . 1 $H2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17494 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $H2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17494 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $H2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17494 1 4 ECOSY no . . . . . . . . . . 2 $D2O_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17494 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17494 1 6 '3D HNHA' no . . . . . . . . . . 3 $15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17494 1 7 '3D HNHB' no . . . . . . . . . . 3 $15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17494 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 3 $15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17494 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17494 1 10 '2D 1H-15N HMQC' no . . . . . . . . . . 3 $15N_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17494 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 17494 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.755 internal direct 1.0 . . . . . . . . . 17494 1 N 15 water protons . . . . ppm 4.73 internal indirect 0.101329118 . . . . . . . . . 17494 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 17494 _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 DQF-COSY' . . . 17494 1 2 '2D 1H-1H TOCSY' . . . 17494 1 3 '2D 1H-1H NOESY' . . . 17494 1 4 ECOSY . . . 17494 1 5 '2D 1H-15N HSQC' . . . 17494 1 7 '3D HNHB' . . . 17494 1 10 '2D 1H-15N HMQC' . . . 17494 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 2 2 SER HA H 1 4.447 0.002 . 1 . . . A 365 SER HA . 17494 1 2 . 1 1 2 2 SER HB2 H 1 3.877 0.002 . 2 . . . A 365 SER HB2 . 17494 1 3 . 1 1 2 2 SER HB3 H 1 3.826 0.002 . 2 . . . A 365 SER HB3 . 17494 1 4 . 1 1 3 3 LYS HA H 1 4.248 0.002 . 1 . . . A 366 LYS HA . 17494 1 5 . 1 1 3 3 LYS HB2 H 1 1.801 0.002 . 2 . . . A 366 LYS HB2 . 17494 1 6 . 1 1 3 3 LYS HB3 H 1 1.722 0.002 . 2 . . . A 366 LYS HB3 . 17494 1 7 . 1 1 3 3 LYS HG2 H 1 1.378 0.002 . 2 . . . A 366 LYS HG2 . 17494 1 8 . 1 1 3 3 LYS HG3 H 1 1.378 0.002 . 2 . . . A 366 LYS HG3 . 17494 1 9 . 1 1 3 3 LYS HD2 H 1 1.635 0.002 . 2 . . . A 366 LYS HD2 . 17494 1 10 . 1 1 3 3 LYS HD3 H 1 1.635 0.002 . 2 . . . A 366 LYS HD3 . 17494 1 11 . 1 1 3 3 LYS HE2 H 1 2.949 0.002 . 2 . . . A 366 LYS HE2 . 17494 1 12 . 1 1 3 3 LYS HE3 H 1 2.949 0.002 . 2 . . . A 366 LYS HE3 . 17494 1 13 . 1 1 4 4 GLU H H 1 8.392 0.002 . 1 . . . A 367 GLU H . 17494 1 14 . 1 1 4 4 GLU HA H 1 4.181 0.002 . 1 . . . A 367 GLU HA . 17494 1 15 . 1 1 4 4 GLU HB2 H 1 1.893 0.002 . 1 . . . A 367 GLU HB2 . 17494 1 16 . 1 1 4 4 GLU HB3 H 1 1.983 0.002 . 1 . . . A 367 GLU HB3 . 17494 1 17 . 1 1 4 4 GLU HG2 H 1 2.218 0.002 . 2 . . . A 367 GLU HG2 . 17494 1 18 . 1 1 4 4 GLU HG3 H 1 2.218 0.002 . 2 . . . A 367 GLU HG3 . 17494 1 19 . 1 1 4 4 GLU N N 15 121.14 0.020 . 1 . . . A 367 GLU N . 17494 1 20 . 1 1 5 5 ASN H H 1 8.333 0.002 . 1 . . . A 368 ASN H . 17494 1 21 . 1 1 5 5 ASN HA H 1 4.627 0.002 . 1 . . . A 368 ASN HA . 17494 1 22 . 1 1 5 5 ASN HB2 H 1 2.817 0.002 . 2 . . . A 368 ASN HB2 . 17494 1 23 . 1 1 5 5 ASN HB3 H 1 2.712 0.002 . 2 . . . A 368 ASN HB3 . 17494 1 24 . 1 1 5 5 ASN HD21 H 1 6.874 0.002 . 2 . . . A 368 ASN HD21 . 17494 1 25 . 1 1 5 5 ASN HD22 H 1 7.555 0.002 . 2 . . . A 368 ASN HD22 . 17494 1 26 . 1 1 5 5 ASN N N 15 119.20 0.020 . 1 . . . A 368 ASN N . 17494 1 27 . 1 1 5 5 ASN ND2 N 15 112.69 0.020 . 1 . . . A 368 ASN ND2 . 17494 1 28 . 1 1 6 6 MET H H 1 8.210 0.002 . 1 . . . A 369 MET H . 17494 1 29 . 1 1 6 6 MET HA H 1 4.401 0.002 . 1 . . . A 369 MET HA . 17494 1 30 . 1 1 6 6 MET HB2 H 1 1.963 0.002 . 1 . . . A 369 MET HB2 . 17494 1 31 . 1 1 6 6 MET HB3 H 1 2.074 0.002 . 1 . . . A 369 MET HB3 . 17494 1 32 . 1 1 6 6 MET HG2 H 1 2.575 0.002 . 2 . . . A 369 MET HG2 . 17494 1 33 . 1 1 6 6 MET HG3 H 1 2.488 0.002 . 2 . . . A 369 MET HG3 . 17494 1 34 . 1 1 6 6 MET HE1 H 1 2.055 0.002 . 1 . . . A 369 MET HE1 . 17494 1 35 . 1 1 6 6 MET HE2 H 1 2.055 0.002 . 1 . . . A 369 MET HE2 . 17494 1 36 . 1 1 6 6 MET HE3 H 1 2.055 0.002 . 1 . . . A 369 MET HE3 . 17494 1 37 . 1 1 6 6 MET N N 15 120.81 0.020 . 1 . . . A 369 MET N . 17494 1 38 . 1 1 7 7 ALA H H 1 8.220 0.002 . 1 . . . A 370 ALA H . 17494 1 39 . 1 1 7 7 ALA HA H 1 4.281 0.002 . 1 . . . A 370 ALA HA . 17494 1 40 . 1 1 7 7 ALA HB1 H 1 1.369 0.002 . 1 . . . A 370 ALA HB1 . 17494 1 41 . 1 1 7 7 ALA HB2 H 1 1.369 0.002 . 1 . . . A 370 ALA HB2 . 17494 1 42 . 1 1 7 7 ALA HB3 H 1 1.369 0.002 . 1 . . . A 370 ALA HB3 . 17494 1 43 . 1 1 7 7 ALA N N 15 124.60 0.020 . 1 . . . A 370 ALA N . 17494 1 44 . 1 1 8 8 THR H H 1 7.953 0.002 . 1 . . . A 371 THR H . 17494 1 45 . 1 1 8 8 THR HA H 1 4.219 0.002 . 1 . . . A 371 THR HA . 17494 1 46 . 1 1 8 8 THR HB H 1 4.112 0.002 . 1 . . . A 371 THR HB . 17494 1 47 . 1 1 8 8 THR HG21 H 1 1.107 0.002 . 1 . . . A 371 THR HG21 . 17494 1 48 . 1 1 8 8 THR HG22 H 1 1.107 0.002 . 1 . . . A 371 THR HG22 . 17494 1 49 . 1 1 8 8 THR HG23 H 1 1.107 0.002 . 1 . . . A 371 THR HG23 . 17494 1 50 . 1 1 8 8 THR N N 15 113.09 0.020 . 1 . . . A 371 THR N . 17494 1 51 . 1 1 9 9 LEU H H 1 8.009 0.002 . 1 . . . A 372 LEU H . 17494 1 52 . 1 1 9 9 LEU HA H 1 4.279 0.002 . 1 . . . A 372 LEU HA . 17494 1 53 . 1 1 9 9 LEU HB2 H 1 1.488 0.002 . 2 . . . A 372 LEU HB2 . 17494 1 54 . 1 1 9 9 LEU HB3 H 1 1.413 0.002 . 2 . . . A 372 LEU HB3 . 17494 1 55 . 1 1 9 9 LEU HG H 1 1.488 0.002 . 1 . . . A 372 LEU HG . 17494 1 56 . 1 1 9 9 LEU HD11 H 1 0.781 0.002 . 2 . . . A 372 LEU HD11 . 17494 1 57 . 1 1 9 9 LEU HD12 H 1 0.781 0.002 . 2 . . . A 372 LEU HD12 . 17494 1 58 . 1 1 9 9 LEU HD13 H 1 0.781 0.002 . 2 . . . A 372 LEU HD13 . 17494 1 59 . 1 1 9 9 LEU HD21 H 1 0.850 0.002 . 2 . . . A 372 LEU HD21 . 17494 1 60 . 1 1 9 9 LEU HD22 H 1 0.850 0.002 . 2 . . . A 372 LEU HD22 . 17494 1 61 . 1 1 9 9 LEU HD23 H 1 0.850 0.002 . 2 . . . A 372 LEU HD23 . 17494 1 62 . 1 1 9 9 LEU N N 15 124.07 0.020 . 1 . . . A 372 LEU N . 17494 1 63 . 1 1 10 10 PHE H H 1 8.204 0.002 . 1 . . . A 373 PHE H . 17494 1 64 . 1 1 10 10 PHE HA H 1 4.665 0.002 . 1 . . . A 373 PHE HA . 17494 1 65 . 1 1 10 10 PHE HB2 H 1 3.044 0.002 . 2 . . . A 373 PHE HB2 . 17494 1 66 . 1 1 10 10 PHE HB3 H 1 2.988 0.002 . 2 . . . A 373 PHE HB3 . 17494 1 67 . 1 1 10 10 PHE HD1 H 1 7.167 0.002 . 3 . . . A 373 PHE HD1 . 17494 1 68 . 1 1 10 10 PHE HD2 H 1 7.167 0.002 . 3 . . . A 373 PHE HD2 . 17494 1 69 . 1 1 10 10 PHE HE1 H 1 7.320 0.002 . 3 . . . A 373 PHE HE1 . 17494 1 70 . 1 1 10 10 PHE HE2 H 1 7.320 0.002 . 3 . . . A 373 PHE HE2 . 17494 1 71 . 1 1 10 10 PHE HZ H 1 7.270 0.002 . 1 . . . A 373 PHE HZ . 17494 1 72 . 1 1 10 10 PHE N N 15 121.47 0.020 . 1 . . . A 373 PHE N . 17494 1 73 . 1 1 11 11 THR H H 1 7.790 0.002 . 1 . . . A 374 THR H . 17494 1 74 . 1 1 11 11 THR HA H 1 4.559 0.002 . 1 . . . A 374 THR HA . 17494 1 75 . 1 1 11 11 THR HB H 1 4.140 0.002 . 1 . . . A 374 THR HB . 17494 1 76 . 1 1 11 11 THR HG21 H 1 1.071 0.002 . 1 . . . A 374 THR HG21 . 17494 1 77 . 1 1 11 11 THR HG22 H 1 1.071 0.002 . 1 . . . A 374 THR HG22 . 17494 1 78 . 1 1 11 11 THR HG23 H 1 1.071 0.002 . 1 . . . A 374 THR HG23 . 17494 1 79 . 1 1 11 11 THR N N 15 113.60 0.020 . 1 . . . A 374 THR N . 17494 1 80 . 1 1 12 12 ILE H H 1 8.791 0.002 . 1 . . . A 375 ILE H . 17494 1 81 . 1 1 12 12 ILE HA H 1 4.394 0.002 . 1 . . . A 375 ILE HA . 17494 1 82 . 1 1 12 12 ILE HB H 1 1.920 0.002 . 1 . . . A 375 ILE HB . 17494 1 83 . 1 1 12 12 ILE HG12 H 1 1.289 0.002 . 2 . . . A 375 ILE HG12 . 17494 1 84 . 1 1 12 12 ILE HG13 H 1 1.143 0.002 . 2 . . . A 375 ILE HG13 . 17494 1 85 . 1 1 12 12 ILE HG21 H 1 0.888 0.002 . 1 . . . A 375 ILE HG21 . 17494 1 86 . 1 1 12 12 ILE HG22 H 1 0.888 0.002 . 1 . . . A 375 ILE HG22 . 17494 1 87 . 1 1 12 12 ILE HG23 H 1 0.888 0.002 . 1 . . . A 375 ILE HG23 . 17494 1 88 . 1 1 12 12 ILE HD11 H 1 0.761 0.002 . 1 . . . A 375 ILE HD11 . 17494 1 89 . 1 1 12 12 ILE HD12 H 1 0.761 0.002 . 1 . . . A 375 ILE HD12 . 17494 1 90 . 1 1 12 12 ILE HD13 H 1 0.761 0.002 . 1 . . . A 375 ILE HD13 . 17494 1 91 . 1 1 12 12 ILE N N 15 122.60 0.020 . 1 . . . A 375 ILE N . 17494 1 92 . 1 1 13 13 TRP H H 1 8.951 0.002 . 1 . . . A 376 TRP H . 17494 1 93 . 1 1 13 13 TRP HA H 1 4.485 0.002 . 1 . . . A 376 TRP HA . 17494 1 94 . 1 1 13 13 TRP HB2 H 1 3.155 0.002 . 2 . . . A 376 TRP HB2 . 17494 1 95 . 1 1 13 13 TRP HB3 H 1 3.155 0.002 . 2 . . . A 376 TRP HB3 . 17494 1 96 . 1 1 13 13 TRP HD1 H 1 6.858 0.002 . 1 . . . A 376 TRP HD1 . 17494 1 97 . 1 1 13 13 TRP HE1 H 1 10.186 0.002 . 1 . . . A 376 TRP HE1 . 17494 1 98 . 1 1 13 13 TRP HE3 H 1 7.369 0.002 . 1 . . . A 376 TRP HE3 . 17494 1 99 . 1 1 13 13 TRP HZ2 H 1 7.418 0.002 . 1 . . . A 376 TRP HZ2 . 17494 1 100 . 1 1 13 13 TRP HZ3 H 1 6.962 0.002 . 1 . . . A 376 TRP HZ3 . 17494 1 101 . 1 1 13 13 TRP HH2 H 1 7.002 0.002 . 1 . . . A 376 TRP HH2 . 17494 1 102 . 1 1 13 13 TRP N N 15 129.84 0.020 . 1 . . . A 376 TRP N . 17494 1 103 . 1 1 13 13 TRP NE1 N 15 128.67 0.020 . 1 . . . A 376 TRP NE1 . 17494 1 104 . 1 1 14 14 CYS H H 1 8.263 0.002 . 1 . . . A 377 CYS H . 17494 1 105 . 1 1 14 14 CYS HA H 1 4.788 0.002 . 1 . . . A 377 CYS HA . 17494 1 106 . 1 1 14 14 CYS HB2 H 1 3.004 0.002 . 1 . . . A 377 CYS HB2 . 17494 1 107 . 1 1 14 14 CYS HB3 H 1 3.234 0.002 . 1 . . . A 377 CYS HB3 . 17494 1 108 . 1 1 14 14 CYS N N 15 129.76 0.020 . 1 . . . A 377 CYS N . 17494 1 109 . 1 1 15 15 THR H H 1 8.932 0.002 . 1 . . . A 378 THR H . 17494 1 110 . 1 1 15 15 THR HA H 1 4.214 0.002 . 1 . . . A 378 THR HA . 17494 1 111 . 1 1 15 15 THR HB H 1 4.274 0.002 . 1 . . . A 378 THR HB . 17494 1 112 . 1 1 15 15 THR HG21 H 1 1.413 0.002 . 1 . . . A 378 THR HG21 . 17494 1 113 . 1 1 15 15 THR HG22 H 1 1.413 0.002 . 1 . . . A 378 THR HG22 . 17494 1 114 . 1 1 15 15 THR HG23 H 1 1.413 0.002 . 1 . . . A 378 THR HG23 . 17494 1 115 . 1 1 15 15 THR N N 15 123.74 0.020 . 1 . . . A 378 THR N . 17494 1 116 . 1 1 16 16 LEU H H 1 7.741 0.002 . 1 . . . A 379 LEU H . 17494 1 117 . 1 1 16 16 LEU HA H 1 4.118 0.002 . 1 . . . A 379 LEU HA . 17494 1 118 . 1 1 16 16 LEU HB2 H 1 0.542 0.002 . 1 . . . A 379 LEU HB2 . 17494 1 119 . 1 1 16 16 LEU HB3 H 1 0.699 0.002 . 1 . . . A 379 LEU HB3 . 17494 1 120 . 1 1 16 16 LEU HG H 1 1.375 0.002 . 1 . . . A 379 LEU HG . 17494 1 121 . 1 1 16 16 LEU HD11 H 1 0.549 0.002 . 2 . . . A 379 LEU HD11 . 17494 1 122 . 1 1 16 16 LEU HD12 H 1 0.549 0.002 . 2 . . . A 379 LEU HD12 . 17494 1 123 . 1 1 16 16 LEU HD13 H 1 0.549 0.002 . 2 . . . A 379 LEU HD13 . 17494 1 124 . 1 1 16 16 LEU HD21 H 1 0.659 0.002 . 2 . . . A 379 LEU HD21 . 17494 1 125 . 1 1 16 16 LEU HD22 H 1 0.659 0.002 . 2 . . . A 379 LEU HD22 . 17494 1 126 . 1 1 16 16 LEU HD23 H 1 0.659 0.002 . 2 . . . A 379 LEU HD23 . 17494 1 127 . 1 1 16 16 LEU N N 15 123.17 0.020 . 1 . . . A 379 LEU N . 17494 1 128 . 1 1 17 17 CYS H H 1 8.420 0.002 . 1 . . . A 380 CYS H . 17494 1 129 . 1 1 17 17 CYS HA H 1 4.182 0.002 . 1 . . . A 380 CYS HA . 17494 1 130 . 1 1 17 17 CYS HB2 H 1 3.023 0.002 . 2 . . . A 380 CYS HB2 . 17494 1 131 . 1 1 17 17 CYS HB3 H 1 2.732 0.002 . 2 . . . A 380 CYS HB3 . 17494 1 132 . 1 1 17 17 CYS N N 15 120.51 0.020 . 1 . . . A 380 CYS N . 17494 1 133 . 1 1 18 18 ASP H H 1 8.176 0.002 . 1 . . . A 381 ASP H . 17494 1 134 . 1 1 18 18 ASP HA H 1 4.183 0.002 . 1 . . . A 381 ASP HA . 17494 1 135 . 1 1 18 18 ASP HB2 H 1 2.326 0.002 . 1 . . . A 381 ASP HB2 . 17494 1 136 . 1 1 18 18 ASP HB3 H 1 3.205 0.002 . 1 . . . A 381 ASP HB3 . 17494 1 137 . 1 1 18 18 ASP N N 15 120.72 0.020 . 1 . . . A 381 ASP N . 17494 1 138 . 1 1 19 19 ARG H H 1 6.512 0.002 . 1 . . . A 382 ARG H . 17494 1 139 . 1 1 19 19 ARG HA H 1 3.635 0.002 . 1 . . . A 382 ARG HA . 17494 1 140 . 1 1 19 19 ARG HB2 H 1 1.271 0.002 . 1 . . . A 382 ARG HB2 . 17494 1 141 . 1 1 19 19 ARG HB3 H 1 1.539 0.002 . 1 . . . A 382 ARG HB3 . 17494 1 142 . 1 1 19 19 ARG HG2 H 1 1.156 0.002 . 2 . . . A 382 ARG HG2 . 17494 1 143 . 1 1 19 19 ARG HG3 H 1 0.757 0.002 . 2 . . . A 382 ARG HG3 . 17494 1 144 . 1 1 19 19 ARG HD2 H 1 2.857 0.002 . 2 . . . A 382 ARG HD2 . 17494 1 145 . 1 1 19 19 ARG HD3 H 1 2.945 0.002 . 2 . . . A 382 ARG HD3 . 17494 1 146 . 1 1 19 19 ARG HE H 1 6.271 0.002 . 1 . . . A 382 ARG HE . 17494 1 147 . 1 1 19 19 ARG N N 15 111.78 0.020 . 1 . . . A 382 ARG N . 17494 1 148 . 1 1 19 19 ARG NE N 15 84.63 0.020 . 1 . . . A 382 ARG NE . 17494 1 149 . 1 1 20 20 ALA H H 1 7.809 0.002 . 1 . . . A 383 ALA H . 17494 1 150 . 1 1 20 20 ALA HA H 1 4.971 0.002 . 1 . . . A 383 ALA HA . 17494 1 151 . 1 1 20 20 ALA HB1 H 1 1.290 0.002 . 1 . . . A 383 ALA HB1 . 17494 1 152 . 1 1 20 20 ALA HB2 H 1 1.290 0.002 . 1 . . . A 383 ALA HB2 . 17494 1 153 . 1 1 20 20 ALA HB3 H 1 1.290 0.002 . 1 . . . A 383 ALA HB3 . 17494 1 154 . 1 1 20 20 ALA N N 15 121.33 0.020 . 1 . . . A 383 ALA N . 17494 1 155 . 1 1 21 21 TYR H H 1 8.726 0.002 . 1 . . . A 384 TYR H . 17494 1 156 . 1 1 21 21 TYR HA H 1 4.748 0.002 . 1 . . . A 384 TYR HA . 17494 1 157 . 1 1 21 21 TYR HB2 H 1 3.224 0.002 . 2 . . . A 384 TYR HB2 . 17494 1 158 . 1 1 21 21 TYR HB3 H 1 2.792 0.002 . 2 . . . A 384 TYR HB3 . 17494 1 159 . 1 1 21 21 TYR HD1 H 1 7.074 0.002 . 3 . . . A 384 TYR HD1 . 17494 1 160 . 1 1 21 21 TYR HD2 H 1 7.074 0.002 . 3 . . . A 384 TYR HD2 . 17494 1 161 . 1 1 21 21 TYR HE1 H 1 6.371 0.002 . 3 . . . A 384 TYR HE1 . 17494 1 162 . 1 1 21 21 TYR HE2 H 1 6.371 0.002 . 3 . . . A 384 TYR HE2 . 17494 1 163 . 1 1 21 21 TYR N N 15 118.96 0.020 . 1 . . . A 384 TYR N . 17494 1 164 . 1 1 22 22 PRO HA H 1 4.707 0.002 . 1 . . . A 385 PRO HA . 17494 1 165 . 1 1 22 22 PRO HB2 H 1 2.230 0.002 . 2 . . . A 385 PRO HB2 . 17494 1 166 . 1 1 22 22 PRO HB3 H 1 2.042 0.002 . 2 . . . A 385 PRO HB3 . 17494 1 167 . 1 1 22 22 PRO HG2 H 1 2.013 0.002 . 2 . . . A 385 PRO HG2 . 17494 1 168 . 1 1 22 22 PRO HG3 H 1 2.013 0.002 . 2 . . . A 385 PRO HG3 . 17494 1 169 . 1 1 22 22 PRO HD2 H 1 3.939 0.002 . 2 . . . A 385 PRO HD2 . 17494 1 170 . 1 1 22 22 PRO HD3 H 1 3.542 0.002 . 2 . . . A 385 PRO HD3 . 17494 1 171 . 1 1 23 23 SER H H 1 7.440 0.002 . 1 . . . A 386 SER H . 17494 1 172 . 1 1 23 23 SER HA H 1 4.342 0.002 . 1 . . . A 386 SER HA . 17494 1 173 . 1 1 23 23 SER HB2 H 1 3.905 0.002 . 2 . . . A 386 SER HB2 . 17494 1 174 . 1 1 23 23 SER HB3 H 1 3.774 0.002 . 2 . . . A 386 SER HB3 . 17494 1 175 . 1 1 23 23 SER N N 15 112.56 0.020 . 1 . . . A 386 SER N . 17494 1 176 . 1 1 24 24 ASP H H 1 7.990 0.002 . 1 . . . A 387 ASP H . 17494 1 177 . 1 1 24 24 ASP HA H 1 4.244 0.002 . 1 . . . A 387 ASP HA . 17494 1 178 . 1 1 24 24 ASP HB2 H 1 2.248 0.002 . 1 . . . A 387 ASP HB2 . 17494 1 179 . 1 1 24 24 ASP HB3 H 1 2.178 0.002 . 1 . . . A 387 ASP HB3 . 17494 1 180 . 1 1 24 24 ASP N N 15 117.14 0.020 . 1 . . . A 387 ASP N . 17494 1 181 . 1 1 25 25 CYS H H 1 8.495 0.002 . 1 . . . A 388 CYS H . 17494 1 182 . 1 1 25 25 CYS HA H 1 3.374 0.002 . 1 . . . A 388 CYS HA . 17494 1 183 . 1 1 25 25 CYS HB2 H 1 2.734 0.002 . 1 . . . A 388 CYS HB2 . 17494 1 184 . 1 1 25 25 CYS HB3 H 1 2.865 0.002 . 1 . . . A 388 CYS HB3 . 17494 1 185 . 1 1 25 25 CYS N N 15 126.57 0.020 . 1 . . . A 388 CYS N . 17494 1 186 . 1 1 26 26 PRO HA H 1 4.127 0.002 . 1 . . . A 389 PRO HA . 17494 1 187 . 1 1 26 26 PRO HB2 H 1 2.143 0.002 . 2 . . . A 389 PRO HB2 . 17494 1 188 . 1 1 26 26 PRO HB3 H 1 1.824 0.002 . 2 . . . A 389 PRO HB3 . 17494 1 189 . 1 1 26 26 PRO HG2 H 1 1.824 0.002 . 2 . . . A 389 PRO HG2 . 17494 1 190 . 1 1 26 26 PRO HG3 H 1 1.824 0.002 . 2 . . . A 389 PRO HG3 . 17494 1 191 . 1 1 26 26 PRO HD2 H 1 3.063 0.002 . 2 . . . A 389 PRO HD2 . 17494 1 192 . 1 1 26 26 PRO HD3 H 1 3.063 0.002 . 2 . . . A 389 PRO HD3 . 17494 1 193 . 1 1 27 27 GLU H H 1 8.259 0.002 . 1 . . . A 390 GLU H . 17494 1 194 . 1 1 27 27 GLU HA H 1 4.058 0.002 . 1 . . . A 390 GLU HA . 17494 1 195 . 1 1 27 27 GLU HB2 H 1 1.223 0.002 . 2 . . . A 390 GLU HB2 . 17494 1 196 . 1 1 27 27 GLU HB3 H 1 1.096 0.002 . 2 . . . A 390 GLU HB3 . 17494 1 197 . 1 1 27 27 GLU HG2 H 1 1.687 0.002 . 2 . . . A 390 GLU HG2 . 17494 1 198 . 1 1 27 27 GLU HG3 H 1 1.577 0.002 . 2 . . . A 390 GLU HG3 . 17494 1 199 . 1 1 27 27 GLU N N 15 120.23 0.020 . 1 . . . A 390 GLU N . 17494 1 200 . 1 1 28 28 HIS H H 1 9.352 0.002 . 1 . . . A 391 HIS H . 17494 1 201 . 1 1 28 28 HIS HA H 1 4.529 0.002 . 1 . . . A 391 HIS HA . 17494 1 202 . 1 1 28 28 HIS HB2 H 1 3.001 0.002 . 1 . . . A 391 HIS HB2 . 17494 1 203 . 1 1 28 28 HIS HB3 H 1 3.352 0.002 . 1 . . . A 391 HIS HB3 . 17494 1 204 . 1 1 28 28 HIS HD2 H 1 7.222 0.002 . 1 . . . A 391 HIS HD2 . 17494 1 205 . 1 1 28 28 HIS HE1 H 1 7.979 0.002 . 1 . . . A 391 HIS HE1 . 17494 1 206 . 1 1 28 28 HIS N N 15 119.63 0.020 . 1 . . . A 391 HIS N . 17494 1 207 . 1 1 28 28 HIS ND1 N 15 224.61 0.020 . 1 . . . A 391 HIS ND1 . 17494 1 208 . 1 1 28 28 HIS NE2 N 15 169.89 0.020 . 1 . . . A 391 HIS NE2 . 17494 1 209 . 1 1 29 29 GLY H H 1 8.115 0.002 . 1 . . . A 392 GLY H . 17494 1 210 . 1 1 29 29 GLY HA2 H 1 4.096 0.002 . 2 . . . A 392 GLY HA2 . 17494 1 211 . 1 1 29 29 GLY HA3 H 1 3.949 0.002 . 2 . . . A 392 GLY HA3 . 17494 1 212 . 1 1 29 29 GLY N N 15 109.75 0.020 . 1 . . . A 392 GLY N . 17494 1 213 . 1 1 30 30 PRO HA H 1 4.425 0.002 . 1 . . . A 393 PRO HA . 17494 1 214 . 1 1 30 30 PRO HB2 H 1 2.233 0.002 . 2 . . . A 393 PRO HB2 . 17494 1 215 . 1 1 30 30 PRO HB3 H 1 1.839 0.002 . 2 . . . A 393 PRO HB3 . 17494 1 216 . 1 1 30 30 PRO HG2 H 1 1.947 0.002 . 2 . . . A 393 PRO HG2 . 17494 1 217 . 1 1 30 30 PRO HG3 H 1 1.947 0.002 . 2 . . . A 393 PRO HG3 . 17494 1 218 . 1 1 30 30 PRO HD2 H 1 3.574 0.002 . 2 . . . A 393 PRO HD2 . 17494 1 219 . 1 1 30 30 PRO HD3 H 1 3.517 0.002 . 2 . . . A 393 PRO HD3 . 17494 1 220 . 1 1 31 31 VAL H H 1 8.293 0.002 . 1 . . . A 394 VAL H . 17494 1 221 . 1 1 31 31 VAL HA H 1 4.125 0.002 . 1 . . . A 394 VAL HA . 17494 1 222 . 1 1 31 31 VAL HB H 1 2.066 0.002 . 1 . . . A 394 VAL HB . 17494 1 223 . 1 1 31 31 VAL HG11 H 1 0.910 0.002 . 2 . . . A 394 VAL HG11 . 17494 1 224 . 1 1 31 31 VAL HG12 H 1 0.910 0.002 . 2 . . . A 394 VAL HG12 . 17494 1 225 . 1 1 31 31 VAL HG13 H 1 0.910 0.002 . 2 . . . A 394 VAL HG13 . 17494 1 226 . 1 1 31 31 VAL HG21 H 1 0.988 0.002 . 2 . . . A 394 VAL HG21 . 17494 1 227 . 1 1 31 31 VAL HG22 H 1 0.988 0.002 . 2 . . . A 394 VAL HG22 . 17494 1 228 . 1 1 31 31 VAL HG23 H 1 0.988 0.002 . 2 . . . A 394 VAL HG23 . 17494 1 229 . 1 1 31 31 VAL N N 15 121.18 0.020 . 1 . . . A 394 VAL N . 17494 1 230 . 1 1 32 32 THR H H 1 8.206 0.002 . 1 . . . A 395 THR H . 17494 1 231 . 1 1 32 32 THR HA H 1 4.313 0.002 . 1 . . . A 395 THR HA . 17494 1 232 . 1 1 32 32 THR HB H 1 4.093 0.002 . 1 . . . A 395 THR HB . 17494 1 233 . 1 1 32 32 THR HG21 H 1 1.131 0.002 . 1 . . . A 395 THR HG21 . 17494 1 234 . 1 1 32 32 THR HG22 H 1 1.131 0.002 . 1 . . . A 395 THR HG22 . 17494 1 235 . 1 1 32 32 THR HG23 H 1 1.131 0.002 . 1 . . . A 395 THR HG23 . 17494 1 236 . 1 1 32 32 THR N N 15 118.78 0.020 . 1 . . . A 395 THR N . 17494 1 237 . 1 1 33 33 PHE H H 1 8.267 0.002 . 1 . . . A 396 PHE H . 17494 1 238 . 1 1 33 33 PHE HA H 1 4.637 0.002 . 1 . . . A 396 PHE HA . 17494 1 239 . 1 1 33 33 PHE HB2 H 1 3.030 0.002 . 2 . . . A 396 PHE HB2 . 17494 1 240 . 1 1 33 33 PHE HB3 H 1 2.993 0.002 . 2 . . . A 396 PHE HB3 . 17494 1 241 . 1 1 33 33 PHE HD1 H 1 7.182 0.002 . 3 . . . A 396 PHE HD1 . 17494 1 242 . 1 1 33 33 PHE HD2 H 1 7.182 0.002 . 3 . . . A 396 PHE HD2 . 17494 1 243 . 1 1 33 33 PHE HE1 H 1 7.301 0.002 . 3 . . . A 396 PHE HE1 . 17494 1 244 . 1 1 33 33 PHE HE2 H 1 7.301 0.002 . 3 . . . A 396 PHE HE2 . 17494 1 245 . 1 1 33 33 PHE HZ H 1 7.274 0.002 . 1 . . . A 396 PHE HZ . 17494 1 246 . 1 1 33 33 PHE N N 15 124.15 0.020 . 1 . . . A 396 PHE N . 17494 1 247 . 1 1 34 34 VAL H H 1 8.100 0.002 . 1 . . . A 397 VAL H . 17494 1 248 . 1 1 34 34 VAL HA H 1 4.287 0.002 . 1 . . . A 397 VAL HA . 17494 1 249 . 1 1 34 34 VAL HB H 1 1.913 0.002 . 1 . . . A 397 VAL HB . 17494 1 250 . 1 1 34 34 VAL HG11 H 1 0.853 0.002 . 2 . . . A 397 VAL HG11 . 17494 1 251 . 1 1 34 34 VAL HG12 H 1 0.853 0.002 . 2 . . . A 397 VAL HG12 . 17494 1 252 . 1 1 34 34 VAL HG13 H 1 0.853 0.002 . 2 . . . A 397 VAL HG13 . 17494 1 253 . 1 1 34 34 VAL HG21 H 1 0.883 0.002 . 2 . . . A 397 VAL HG21 . 17494 1 254 . 1 1 34 34 VAL HG22 H 1 0.883 0.002 . 2 . . . A 397 VAL HG22 . 17494 1 255 . 1 1 34 34 VAL HG23 H 1 0.883 0.002 . 2 . . . A 397 VAL HG23 . 17494 1 256 . 1 1 34 34 VAL N N 15 126.40 0.020 . 1 . . . A 397 VAL N . 17494 1 257 . 1 1 35 35 PRO HA H 1 4.282 0.002 . 1 . . . A 398 PRO HA . 17494 1 258 . 1 1 35 35 PRO HB2 H 1 2.284 0.002 . 2 . . . A 398 PRO HB2 . 17494 1 259 . 1 1 35 35 PRO HB3 H 1 1.915 0.002 . 2 . . . A 398 PRO HB3 . 17494 1 260 . 1 1 35 35 PRO HG2 H 1 1.960 0.002 . 2 . . . A 398 PRO HG2 . 17494 1 261 . 1 1 35 35 PRO HG3 H 1 1.960 0.002 . 2 . . . A 398 PRO HG3 . 17494 1 262 . 1 1 35 35 PRO HD2 H 1 3.618 0.002 . 2 . . . A 398 PRO HD2 . 17494 1 263 . 1 1 35 35 PRO HD3 H 1 3.618 0.002 . 2 . . . A 398 PRO HD3 . 17494 1 264 . 1 1 36 36 ASP H H 1 8.387 0.002 . 1 . . . A 399 ASP H . 17494 1 265 . 1 1 36 36 ASP HA H 1 4.523 0.002 . 1 . . . A 399 ASP HA . 17494 1 266 . 1 1 36 36 ASP HB2 H 1 2.643 0.002 . 2 . . . A 399 ASP HB2 . 17494 1 267 . 1 1 36 36 ASP HB3 H 1 2.571 0.002 . 2 . . . A 399 ASP HB3 . 17494 1 268 . 1 1 36 36 ASP N N 15 120.66 0.020 . 1 . . . A 399 ASP N . 17494 1 269 . 1 1 37 37 THR H H 1 7.993 0.002 . 1 . . . A 400 THR H . 17494 1 270 . 1 1 37 37 THR HA H 1 4.542 0.002 . 1 . . . A 400 THR HA . 17494 1 271 . 1 1 37 37 THR HB H 1 4.076 0.002 . 1 . . . A 400 THR HB . 17494 1 272 . 1 1 37 37 THR HG21 H 1 1.197 0.002 . 1 . . . A 400 THR HG21 . 17494 1 273 . 1 1 37 37 THR HG22 H 1 1.197 0.002 . 1 . . . A 400 THR HG22 . 17494 1 274 . 1 1 37 37 THR HG23 H 1 1.197 0.002 . 1 . . . A 400 THR HG23 . 17494 1 275 . 1 1 37 37 THR N N 15 116.68 0.020 . 1 . . . A 400 THR N . 17494 1 276 . 1 1 38 38 PRO HA H 1 4.403 0.002 . 1 . . . A 401 PRO HA . 17494 1 277 . 1 1 38 38 PRO HB2 H 1 2.244 0.002 . 2 . . . A 401 PRO HB2 . 17494 1 278 . 1 1 38 38 PRO HB3 H 1 1.912 0.002 . 2 . . . A 401 PRO HB3 . 17494 1 279 . 1 1 38 38 PRO HG2 H 1 2.003 0.002 . 2 . . . A 401 PRO HG2 . 17494 1 280 . 1 1 38 38 PRO HG3 H 1 1.937 0.002 . 2 . . . A 401 PRO HG3 . 17494 1 281 . 1 1 38 38 PRO HD2 H 1 3.799 0.002 . 2 . . . A 401 PRO HD2 . 17494 1 282 . 1 1 38 38 PRO HD3 H 1 3.663 0.002 . 2 . . . A 401 PRO HD3 . 17494 1 283 . 1 1 39 39 ILE H H 1 7.744 0.002 . 1 . . . A 402 ILE H . 17494 1 284 . 1 1 39 39 ILE HA H 1 4.022 0.002 . 1 . . . A 402 ILE HA . 17494 1 285 . 1 1 39 39 ILE HB H 1 1.788 0.002 . 1 . . . A 402 ILE HB . 17494 1 286 . 1 1 39 39 ILE HG12 H 1 1.400 0.002 . 2 . . . A 402 ILE HG12 . 17494 1 287 . 1 1 39 39 ILE HG13 H 1 1.129 0.002 . 2 . . . A 402 ILE HG13 . 17494 1 288 . 1 1 39 39 ILE HG21 H 1 0.869 0.002 . 1 . . . A 402 ILE HG21 . 17494 1 289 . 1 1 39 39 ILE HG22 H 1 0.869 0.002 . 1 . . . A 402 ILE HG22 . 17494 1 290 . 1 1 39 39 ILE HG23 H 1 0.869 0.002 . 1 . . . A 402 ILE HG23 . 17494 1 291 . 1 1 39 39 ILE HD11 H 1 0.839 0.002 . 1 . . . A 402 ILE HD11 . 17494 1 292 . 1 1 39 39 ILE HD12 H 1 0.839 0.002 . 1 . . . A 402 ILE HD12 . 17494 1 293 . 1 1 39 39 ILE HD13 H 1 0.839 0.002 . 1 . . . A 402 ILE HD13 . 17494 1 294 . 1 1 39 39 ILE N N 15 125.62 0.020 . 1 . . . A 402 ILE N . 17494 1 stop_ save_