data_17858 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17858 _Entry.Title ; RNA-binding zinc finger protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-12 _Entry.Accession_date 2011-08-12 _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 Christoph Brockmann . . . 17858 2 David Neuhaus . . . 17858 3 Murray Stewart . . . 17858 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' . 17858 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA-BINDING PROTEIN' . 17858 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17858 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 268 17858 '15N chemical shifts' 80 17858 '1H chemical shifts' 530 17858 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 . . 2012-06-29 2011-08-12 update BMRB 'update entry citation' 17858 1 . . 2012-06-05 2011-08-12 original author 'original release' 17858 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LHN 'BMRB Entry Tracking System' 17858 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17858 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22560733 _Citation.Full_citation . _Citation.Title 'Structural Basis for Polyadenosine-RNA Binding by Nab2 Zn Fingers and Its Function in mRNA Nuclear Export.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 20 _Citation.Journal_issue 6 _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 1007 _Citation.Page_last 1018 _Citation.Year 2012 _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 Christoph Brockmann . . . 17858 1 2 Sharon Soucek . . . 17858 1 3 Sonja Kuhlmann . I. . 17858 1 4 Katherine Mills-Lujan . . . 17858 1 5 Seth Kelly . M. . 17858 1 6 Ji-Chun Yang . . . 17858 1 7 Nahid Iglesias . . . 17858 1 8 Francoise Stutz . . . 17858 1 9 Anita Corbett . H. . 17858 1 10 David Neuhaus . . . 17858 1 11 Murray Stewart . . . 17858 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17858 _Assembly.ID 1 _Assembly.Name NAB2_404-483 _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _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 NAB2_404-483 1 $NAB2_404-483 A . yes native no no . . . 17858 1 2 'Zinc ions 1' 2 $ZN B . no native no no . . . 17858 1 3 'Zinc ions 2' 2 $ZN C . no native no no . . . 17858 1 4 'Zinc ions 3' 2 $ZN D . no native no no . . . 17858 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 12 12 HG . 415 CYS HG 17858 1 2 . 1 1 CYS 18 18 HG . 421 CYS HG 17858 1 3 . 1 1 CYS 23 23 HG . 426 CYS HG 17858 1 4 . 1 1 HIS 27 27 HE2 . 430 HIS HE2 17858 1 5 . 1 1 CYS 34 34 HG . 437 CYS HG 17858 1 6 . 1 1 CYS 40 40 HG . 443 CYS HG 17858 1 7 . 1 1 CYS 45 45 HG . 448 CYS HG 17858 1 8 . 1 1 HIS 49 49 HE2 . 452 HIS HE2 17858 1 9 . 1 1 CYS 55 55 HG . 458 CYS HG 17858 1 10 . 1 1 CYS 61 61 HG . 464 CYS HG 17858 1 11 . 1 1 CYS 66 66 HG . 469 CYS HG 17858 1 12 . 1 1 HIS 70 70 HE2 . 473 HIS HE2 17858 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NAB2_404-483 _Entity.Sf_category entity _Entity.Sf_framecode NAB2_404-483 _Entity.Entry_ID 17858 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NAB2_404-483 _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 ; GPLGSEKSLEQCKFGTHCTN KRCKYRHARSHIMCREGANC TRIDCLFGHPINEDCRFGVN CKNIYCLFRHPPGRVLPEKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9227.831 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2LHN . "Rna-Binding Zinc Finger Protein" . . . . . 100.00 80 100.00 100.00 6.04e-51 . . . . 17858 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 1 404 GLY . 17858 1 2 405 PRO . 17858 1 3 406 LEU . 17858 1 4 407 GLY . 17858 1 5 408 SER . 17858 1 6 409 GLU . 17858 1 7 410 LYS . 17858 1 8 411 SER . 17858 1 9 412 LEU . 17858 1 10 413 GLU . 17858 1 11 414 GLN . 17858 1 12 415 CYS . 17858 1 13 416 LYS . 17858 1 14 417 PHE . 17858 1 15 418 GLY . 17858 1 16 419 THR . 17858 1 17 420 HIS . 17858 1 18 421 CYS . 17858 1 19 422 THR . 17858 1 20 423 ASN . 17858 1 21 424 LYS . 17858 1 22 425 ARG . 17858 1 23 426 CYS . 17858 1 24 427 LYS . 17858 1 25 428 TYR . 17858 1 26 429 ARG . 17858 1 27 430 HIS . 17858 1 28 431 ALA . 17858 1 29 432 ARG . 17858 1 30 433 SER . 17858 1 31 434 HIS . 17858 1 32 435 ILE . 17858 1 33 436 MET . 17858 1 34 437 CYS . 17858 1 35 438 ARG . 17858 1 36 439 GLU . 17858 1 37 440 GLY . 17858 1 38 441 ALA . 17858 1 39 442 ASN . 17858 1 40 443 CYS . 17858 1 41 444 THR . 17858 1 42 445 ARG . 17858 1 43 446 ILE . 17858 1 44 447 ASP . 17858 1 45 448 CYS . 17858 1 46 449 LEU . 17858 1 47 450 PHE . 17858 1 48 451 GLY . 17858 1 49 452 HIS . 17858 1 50 453 PRO . 17858 1 51 454 ILE . 17858 1 52 455 ASN . 17858 1 53 456 GLU . 17858 1 54 457 ASP . 17858 1 55 458 CYS . 17858 1 56 459 ARG . 17858 1 57 460 PHE . 17858 1 58 461 GLY . 17858 1 59 462 VAL . 17858 1 60 463 ASN . 17858 1 61 464 CYS . 17858 1 62 465 LYS . 17858 1 63 466 ASN . 17858 1 64 467 ILE . 17858 1 65 468 TYR . 17858 1 66 469 CYS . 17858 1 67 470 LEU . 17858 1 68 471 PHE . 17858 1 69 472 ARG . 17858 1 70 473 HIS . 17858 1 71 474 PRO . 17858 1 72 475 PRO . 17858 1 73 476 GLY . 17858 1 74 477 ARG . 17858 1 75 478 VAL . 17858 1 76 479 LEU . 17858 1 77 480 PRO . 17858 1 78 481 GLU . 17858 1 79 482 LYS . 17858 1 80 483 LYS . 17858 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 17858 1 . PRO 2 2 17858 1 . LEU 3 3 17858 1 . GLY 4 4 17858 1 . SER 5 5 17858 1 . GLU 6 6 17858 1 . LYS 7 7 17858 1 . SER 8 8 17858 1 . LEU 9 9 17858 1 . GLU 10 10 17858 1 . GLN 11 11 17858 1 . CYS 12 12 17858 1 . LYS 13 13 17858 1 . PHE 14 14 17858 1 . GLY 15 15 17858 1 . THR 16 16 17858 1 . HIS 17 17 17858 1 . CYS 18 18 17858 1 . THR 19 19 17858 1 . ASN 20 20 17858 1 . LYS 21 21 17858 1 . ARG 22 22 17858 1 . CYS 23 23 17858 1 . LYS 24 24 17858 1 . TYR 25 25 17858 1 . ARG 26 26 17858 1 . HIS 27 27 17858 1 . ALA 28 28 17858 1 . ARG 29 29 17858 1 . SER 30 30 17858 1 . HIS 31 31 17858 1 . ILE 32 32 17858 1 . MET 33 33 17858 1 . CYS 34 34 17858 1 . ARG 35 35 17858 1 . GLU 36 36 17858 1 . GLY 37 37 17858 1 . ALA 38 38 17858 1 . ASN 39 39 17858 1 . CYS 40 40 17858 1 . THR 41 41 17858 1 . ARG 42 42 17858 1 . ILE 43 43 17858 1 . ASP 44 44 17858 1 . CYS 45 45 17858 1 . LEU 46 46 17858 1 . PHE 47 47 17858 1 . GLY 48 48 17858 1 . HIS 49 49 17858 1 . PRO 50 50 17858 1 . ILE 51 51 17858 1 . ASN 52 52 17858 1 . GLU 53 53 17858 1 . ASP 54 54 17858 1 . CYS 55 55 17858 1 . ARG 56 56 17858 1 . PHE 57 57 17858 1 . GLY 58 58 17858 1 . VAL 59 59 17858 1 . ASN 60 60 17858 1 . CYS 61 61 17858 1 . LYS 62 62 17858 1 . ASN 63 63 17858 1 . ILE 64 64 17858 1 . TYR 65 65 17858 1 . CYS 66 66 17858 1 . LEU 67 67 17858 1 . PHE 68 68 17858 1 . ARG 69 69 17858 1 . HIS 70 70 17858 1 . PRO 71 71 17858 1 . PRO 72 72 17858 1 . GLY 73 73 17858 1 . ARG 74 74 17858 1 . VAL 75 75 17858 1 . LEU 76 76 17858 1 . PRO 77 77 17858 1 . GLU 78 78 17858 1 . LYS 79 79 17858 1 . LYS 80 80 17858 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17858 _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 . 17858 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 17858 _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 $NAB2_404-483 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17858 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 17858 _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 $NAB2_404-483 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pGEX6P-1 . . . . . . 17858 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 17858 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic 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 Thu Aug 18 16:07:37 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=1S/Zn/q+2 InChI InChI 1.03 17858 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 17858 ZN [Zn++] SMILES CACTVS 3.341 17858 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17858 ZN [Zn+2] SMILES ACDLabs 10.04 17858 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17858 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17858 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 17858 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17858 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 . 17858 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17858 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TRIS [U-2H] . . . . . . 50 . . mM . . . . 17858 1 2 arginine 'natural abundance' . . . . . . 50 . . mM . . . . 17858 1 3 'glutamic acid' 'natural abundance' . . . . . . 50 . . mM . . . . 17858 1 4 'zinc chloride' 'natural abundance' . . . . . . 10 . . uM . . . . 17858 1 5 mercaptoethanol [U-2H] . . . . . . 5 . . mM . . . . 17858 1 6 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17858 1 7 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17858 1 8 D20 'natural abundance' . . . . . . 5 . . % . . . . 17858 1 9 NAB2_404-483 '15N,13C U' . . 1 $NAB2_404-483 . . 1.2 . . mH . . . . 17858 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17858 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'aligned sample for RDC measurements' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TRIS [U-2H] . . . . . . 50 . . mM . . . . 17858 2 2 arginine 'natural abundance' . . . . . . 50 . . mM . . . . 17858 2 3 'glutamic acid' 'natural abundance' . . . . . . 50 . . mM . . . . 17858 2 4 'zinc chloride' 'natural abundance' . . . . . . 10 . . uM . . . . 17858 2 5 mercaptoethanol [U-2H] . . . . . . 5 . . mM . . . . 17858 2 6 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17858 2 7 'tobacco mosaic virus' 'natural abundance' . . . . . . 25 . . mg/ml . . . . 17858 2 8 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17858 2 9 D20 'natural abundance' . . . . . . 5 . . % . . . . 17858 2 10 NAB2_404-483 '15N,13C U' . . 1 $NAB2_404-483 . . 1.2 . . mH . . . . 17858 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17858 _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' 0.125 . M 17858 1 pH 6.75 . pH 17858 1 pressure 1 . atm 17858 1 temperature 290 . K 17858 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17858 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17858 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17858 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 17858 _Software.ID 2 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17858 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17858 2 'data analysis' 17858 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17858 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17858 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17858 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 17858 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17858 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17858 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 17858 1 2 spectrometer_2 Bruker DRX . 500 . . . 17858 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 17858 _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 . . . . . . . . . . . . . . . . . . . . . 17858 1 2 '2D 1H-15N HSQC lomg-range optimised' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17858 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17858 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17858 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17858 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17858 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17858 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17858 1 9 '3D H[C]CH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17858 1 10 '3D [H]CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17858 1 11 '3D 1H-15N NOESY (50ms mixing)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17858 1 12 '3D 1H-15N NOESY (120 ms mixing)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17858 1 13 '3D 1H-13C NOESY aliphatic (150 ms mixing)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17858 1 14 '3D 1H-13C NOESY aromatic (150 ms mixing)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17858 1 15 '2D 1H-15N HSQC IPAP' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17858 1 16 '3D HNCO IPAP' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17858 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 17858 _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 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17858 1 H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17858 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 17858 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 17858 _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' . . . 17858 1 2 '2D 1H-15N HSQC lomg-range optimised' . . . 17858 1 3 '2D 1H-13C HSQC' . . . 17858 1 4 '2D 1H-13C HSQC aliphatic' . . . 17858 1 5 '2D 1H-13C HSQC aromatic' . . . 17858 1 6 '3D HNCACB' . . . 17858 1 7 '3D CBCA(CO)NH' . . . 17858 1 8 '3D HBHA(CO)NH' . . . 17858 1 9 '3D H[C]CH-TOCSY' . . . 17858 1 10 '3D [H]CCH-TOCSY' . . . 17858 1 11 '3D 1H-15N NOESY (50ms mixing)' . . . 17858 1 12 '3D 1H-15N NOESY (120 ms mixing)' . . . 17858 1 13 '3D 1H-13C NOESY aliphatic (150 ms mixing)' . . . 17858 1 14 '3D 1H-13C NOESY aromatic (150 ms mixing)' . . . 17858 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 GLY HA2 H 1 3.856 0.02 . 1 . . . A 404 GLY HA2 . 17858 1 2 . 1 1 1 1 GLY HA3 H 1 3.856 0.02 . 1 . . . A 404 GLY HA3 . 17858 1 3 . 1 1 1 1 GLY CA C 13 43.689 0.10 . 1 . . . A 404 GLY CA . 17858 1 4 . 1 1 2 2 PRO HA H 1 4.356 0.02 . 1 . . . A 405 PRO HA . 17858 1 5 . 1 1 2 2 PRO HB2 H 1 1.817 0.02 . 2 . . . A 405 PRO HB2 . 17858 1 6 . 1 1 2 2 PRO HB3 H 1 2.192 0.02 . 2 . . . A 405 PRO HB3 . 17858 1 7 . 1 1 2 2 PRO HG2 H 1 1.888 0.02 . 2 . . . A 405 PRO HG2 . 17858 1 8 . 1 1 2 2 PRO HD3 H 1 3.453 0.02 . 2 . . . A 405 PRO HD3 . 17858 1 9 . 1 1 2 2 PRO CA C 13 63.329 0.10 . 1 . . . A 405 PRO CA . 17858 1 10 . 1 1 2 2 PRO CB C 13 32.603 0.10 . 1 . . . A 405 PRO CB . 17858 1 11 . 1 1 2 2 PRO CG C 13 27.346 0.10 . 1 . . . A 405 PRO CG . 17858 1 12 . 1 1 2 2 PRO CD C 13 49.901 0.10 . 1 . . . A 405 PRO CD . 17858 1 13 . 1 1 3 3 LEU H H 1 8.571 0.02 . 1 . . . A 406 LEU H . 17858 1 14 . 1 1 3 3 LEU HA H 1 4.231 0.02 . 1 . . . A 406 LEU HA . 17858 1 15 . 1 1 3 3 LEU HB2 H 1 1.481 0.02 . 2 . . . A 406 LEU HB2 . 17858 1 16 . 1 1 3 3 LEU HB3 H 1 1.561 0.02 . 2 . . . A 406 LEU HB3 . 17858 1 17 . 1 1 3 3 LEU HG H 1 1.532 0.02 . 1 . . . A 406 LEU HG . 17858 1 18 . 1 1 3 3 LEU HD11 H 1 0.772 0.02 . 2 . . . A 406 LEU HD11 . 17858 1 19 . 1 1 3 3 LEU HD12 H 1 0.772 0.02 . 2 . . . A 406 LEU HD12 . 17858 1 20 . 1 1 3 3 LEU HD13 H 1 0.772 0.02 . 2 . . . A 406 LEU HD13 . 17858 1 21 . 1 1 3 3 LEU HD21 H 1 0.811 0.02 . 2 . . . A 406 LEU HD21 . 17858 1 22 . 1 1 3 3 LEU HD22 H 1 0.811 0.02 . 2 . . . A 406 LEU HD22 . 17858 1 23 . 1 1 3 3 LEU HD23 H 1 0.811 0.02 . 2 . . . A 406 LEU HD23 . 17858 1 24 . 1 1 3 3 LEU CA C 13 55.838 0.10 . 1 . . . A 406 LEU CA . 17858 1 25 . 1 1 3 3 LEU CB C 13 42.529 0.10 . 1 . . . A 406 LEU CB . 17858 1 26 . 1 1 3 3 LEU CG C 13 27.302 0.10 . 1 . . . A 406 LEU CG . 17858 1 27 . 1 1 3 3 LEU CD1 C 13 23.747 0.10 . 2 . . . A 406 LEU CD1 . 17858 1 28 . 1 1 3 3 LEU CD2 C 13 25.109 0.10 . 2 . . . A 406 LEU CD2 . 17858 1 29 . 1 1 3 3 LEU N N 15 122.497 0.10 . 1 . . . A 406 LEU N . 17858 1 30 . 1 1 4 4 GLY H H 1 8.504 0.02 . 1 . . . A 407 GLY H . 17858 1 31 . 1 1 4 4 GLY HA2 H 1 3.831 0.02 . 2 . . . A 407 GLY HA2 . 17858 1 32 . 1 1 4 4 GLY HA3 H 1 3.914 0.02 . 2 . . . A 407 GLY HA3 . 17858 1 33 . 1 1 4 4 GLY CA C 13 45.746 0.10 . 1 . . . A 407 GLY CA . 17858 1 34 . 1 1 4 4 GLY N N 15 110.132 0.10 . 1 . . . A 407 GLY N . 17858 1 35 . 1 1 5 5 SER H H 1 8.087 0.02 . 1 . . . A 408 SER H . 17858 1 36 . 1 1 5 5 SER HA H 1 4.321 0.02 . 1 . . . A 408 SER HA . 17858 1 37 . 1 1 5 5 SER HB2 H 1 3.703 0.02 . 2 . . . A 408 SER HB2 . 17858 1 38 . 1 1 5 5 SER HB3 H 1 3.783 0.02 . 2 . . . A 408 SER HB3 . 17858 1 39 . 1 1 5 5 SER CA C 13 58.629 0.10 . 1 . . . A 408 SER CA . 17858 1 40 . 1 1 5 5 SER CB C 13 64.171 0.10 . 1 . . . A 408 SER CB . 17858 1 41 . 1 1 5 5 SER N N 15 114.820 0.10 . 1 . . . A 408 SER N . 17858 1 42 . 1 1 6 6 GLU H H 1 8.483 0.02 . 1 . . . A 409 GLU H . 17858 1 43 . 1 1 6 6 GLU HA H 1 4.137 0.02 . 1 . . . A 409 GLU HA . 17858 1 44 . 1 1 6 6 GLU HB2 H 1 1.841 0.02 . 2 . . . A 409 GLU HB2 . 17858 1 45 . 1 1 6 6 GLU HB3 H 1 1.925 0.02 . 2 . . . A 409 GLU HB3 . 17858 1 46 . 1 1 6 6 GLU HG2 H 1 2.145 0.02 . 2 . . . A 409 GLU HG2 . 17858 1 47 . 1 1 6 6 GLU CA C 13 57.076 0.10 . 1 . . . A 409 GLU CA . 17858 1 48 . 1 1 6 6 GLU CB C 13 30.420 0.10 . 1 . . . A 409 GLU CB . 17858 1 49 . 1 1 6 6 GLU CG C 13 36.557 0.10 . 1 . . . A 409 GLU CG . 17858 1 50 . 1 1 6 6 GLU N N 15 122.539 0.10 . 1 . . . A 409 GLU N . 17858 1 51 . 1 1 7 7 LYS H H 1 7.997 0.02 . 1 . . . A 410 LYS H . 17858 1 52 . 1 1 7 7 LYS HA H 1 4.332 0.02 . 1 . . . A 410 LYS HA . 17858 1 53 . 1 1 7 7 LYS HB2 H 1 1.536 0.02 . 2 . . . A 410 LYS HB2 . 17858 1 54 . 1 1 7 7 LYS HB3 H 1 1.893 0.02 . 2 . . . A 410 LYS HB3 . 17858 1 55 . 1 1 7 7 LYS HG2 H 1 1.261 0.02 . 2 . . . A 410 LYS HG2 . 17858 1 56 . 1 1 7 7 LYS HG3 H 1 1.393 0.02 . 2 . . . A 410 LYS HG3 . 17858 1 57 . 1 1 7 7 LYS HE2 H 1 2.843 0.02 . 2 . . . A 410 LYS HE2 . 17858 1 58 . 1 1 7 7 LYS CA C 13 56.279 0.10 . 1 . . . A 410 LYS CA . 17858 1 59 . 1 1 7 7 LYS CB C 13 33.875 0.10 . 1 . . . A 410 LYS CB . 17858 1 60 . 1 1 7 7 LYS CG C 13 25.520 0.10 . 1 . . . A 410 LYS CG . 17858 1 61 . 1 1 7 7 LYS CE C 13 42.628 0.10 . 1 . . . A 410 LYS CE . 17858 1 62 . 1 1 7 7 LYS N N 15 120.141 0.10 . 1 . . . A 410 LYS N . 17858 1 63 . 1 1 8 8 SER H H 1 8.214 0.02 . 1 . . . A 411 SER H . 17858 1 64 . 1 1 8 8 SER HA H 1 4.542 0.02 . 1 . . . A 411 SER HA . 17858 1 65 . 1 1 8 8 SER HB2 H 1 3.326 0.02 . 2 . . . A 411 SER HB2 . 17858 1 66 . 1 1 8 8 SER HB3 H 1 3.641 0.02 . 2 . . . A 411 SER HB3 . 17858 1 67 . 1 1 8 8 SER CA C 13 56.092 0.10 . 1 . . . A 411 SER CA . 17858 1 68 . 1 1 8 8 SER CB C 13 65.009 0.10 . 1 . . . A 411 SER CB . 17858 1 69 . 1 1 8 8 SER N N 15 114.672 0.10 . 1 . . . A 411 SER N . 17858 1 70 . 1 1 9 9 LEU H H 1 8.487 0.02 . 1 . . . A 412 LEU H . 17858 1 71 . 1 1 9 9 LEU HA H 1 3.938 0.02 . 1 . . . A 412 LEU HA . 17858 1 72 . 1 1 9 9 LEU HB2 H 1 1.221 0.02 . 2 . . . A 412 LEU HB2 . 17858 1 73 . 1 1 9 9 LEU HB3 H 1 1.562 0.02 . 2 . . . A 412 LEU HB3 . 17858 1 74 . 1 1 9 9 LEU HG H 1 1.508 0.02 . 1 . . . A 412 LEU HG . 17858 1 75 . 1 1 9 9 LEU HD11 H 1 0.414 0.02 . 2 . . . A 412 LEU HD11 . 17858 1 76 . 1 1 9 9 LEU HD12 H 1 0.414 0.02 . 2 . . . A 412 LEU HD12 . 17858 1 77 . 1 1 9 9 LEU HD13 H 1 0.414 0.02 . 2 . . . A 412 LEU HD13 . 17858 1 78 . 1 1 9 9 LEU HD21 H 1 0.743 0.02 . 2 . . . A 412 LEU HD21 . 17858 1 79 . 1 1 9 9 LEU HD22 H 1 0.743 0.02 . 2 . . . A 412 LEU HD22 . 17858 1 80 . 1 1 9 9 LEU HD23 H 1 0.743 0.02 . 2 . . . A 412 LEU HD23 . 17858 1 81 . 1 1 9 9 LEU CA C 13 55.495 0.10 . 1 . . . A 412 LEU CA . 17858 1 82 . 1 1 9 9 LEU CB C 13 42.864 0.10 . 1 . . . A 412 LEU CB . 17858 1 83 . 1 1 9 9 LEU CG C 13 26.041 0.10 . 1 . . . A 412 LEU CG . 17858 1 84 . 1 1 9 9 LEU CD1 C 13 22.648 0.10 . 2 . . . A 412 LEU CD1 . 17858 1 85 . 1 1 9 9 LEU CD2 C 13 25.899 0.10 . 2 . . . A 412 LEU CD2 . 17858 1 86 . 1 1 9 9 LEU N N 15 122.535 0.10 . 1 . . . A 412 LEU N . 17858 1 87 . 1 1 10 10 GLU H H 1 8.483 0.02 . 1 . . . A 413 GLU H . 17858 1 88 . 1 1 10 10 GLU HA H 1 3.804 0.02 . 1 . . . A 413 GLU HA . 17858 1 89 . 1 1 10 10 GLU HB2 H 1 1.696 0.02 . 2 . . . A 413 GLU HB2 . 17858 1 90 . 1 1 10 10 GLU HB3 H 1 1.878 0.02 . 2 . . . A 413 GLU HB3 . 17858 1 91 . 1 1 10 10 GLU HG2 H 1 1.959 0.02 . 2 . . . A 413 GLU HG2 . 17858 1 92 . 1 1 10 10 GLU HG3 H 1 2.118 0.02 . 2 . . . A 413 GLU HG3 . 17858 1 93 . 1 1 10 10 GLU CA C 13 57.749 0.10 . 1 . . . A 413 GLU CA . 17858 1 94 . 1 1 10 10 GLU CB C 13 29.807 0.10 . 1 . . . A 413 GLU CB . 17858 1 95 . 1 1 10 10 GLU CG C 13 36.642 0.10 . 1 . . . A 413 GLU CG . 17858 1 96 . 1 1 10 10 GLU N N 15 121.582 0.10 . 1 . . . A 413 GLU N . 17858 1 97 . 1 1 11 11 GLN H H 1 8.475 0.02 . 1 . . . A 414 GLN H . 17858 1 98 . 1 1 11 11 GLN HA H 1 3.768 0.02 . 1 . . . A 414 GLN HA . 17858 1 99 . 1 1 11 11 GLN HB2 H 1 1.670 0.02 . 2 . . . A 414 GLN HB2 . 17858 1 100 . 1 1 11 11 GLN HB3 H 1 1.852 0.02 . 2 . . . A 414 GLN HB3 . 17858 1 101 . 1 1 11 11 GLN HG2 H 1 2.091 0.02 . 2 . . . A 414 GLN HG2 . 17858 1 102 . 1 1 11 11 GLN HG3 H 1 2.377 0.02 . 2 . . . A 414 GLN HG3 . 17858 1 103 . 1 1 11 11 GLN HE21 H 1 7.447 0.02 . 1 . . . A 414 GLN HE21 . 17858 1 104 . 1 1 11 11 GLN HE22 H 1 7.919 0.02 . 1 . . . A 414 GLN HE22 . 17858 1 105 . 1 1 11 11 GLN CA C 13 55.415 0.10 . 1 . . . A 414 GLN CA . 17858 1 106 . 1 1 11 11 GLN CB C 13 29.918 0.10 . 1 . . . A 414 GLN CB . 17858 1 107 . 1 1 11 11 GLN CG C 13 33.111 0.10 . 1 . . . A 414 GLN CG . 17858 1 108 . 1 1 11 11 GLN N N 15 124.052 0.10 . 1 . . . A 414 GLN N . 17858 1 109 . 1 1 11 11 GLN NE2 N 15 114.381 0.10 . 1 . . . A 414 GLN NE2 . 17858 1 110 . 1 1 12 12 CYS H H 1 9.290 0.02 . 1 . . . A 415 CYS H . 17858 1 111 . 1 1 12 12 CYS HA H 1 3.668 0.02 . 1 . . . A 415 CYS HA . 17858 1 112 . 1 1 12 12 CYS HB2 H 1 1.927 0.02 . 2 . . . A 415 CYS HB2 . 17858 1 113 . 1 1 12 12 CYS HB3 H 1 2.399 0.02 . 2 . . . A 415 CYS HB3 . 17858 1 114 . 1 1 12 12 CYS CA C 13 61.173 0.10 . 1 . . . A 415 CYS CA . 17858 1 115 . 1 1 12 12 CYS CB C 13 30.342 0.10 . 1 . . . A 415 CYS CB . 17858 1 116 . 1 1 12 12 CYS N N 15 129.067 0.10 . 1 . . . A 415 CYS N . 17858 1 117 . 1 1 13 13 LYS H H 1 8.623 0.02 . 1 . . . A 416 LYS H . 17858 1 118 . 1 1 13 13 LYS HA H 1 3.814 0.02 . 1 . . . A 416 LYS HA . 17858 1 119 . 1 1 13 13 LYS HB2 H 1 1.413 0.02 . 2 . . . A 416 LYS HB2 . 17858 1 120 . 1 1 13 13 LYS HB3 H 1 1.444 0.02 . 2 . . . A 416 LYS HB3 . 17858 1 121 . 1 1 13 13 LYS HG2 H 1 0.592 0.02 . 2 . . . A 416 LYS HG2 . 17858 1 122 . 1 1 13 13 LYS HG3 H 1 0.943 0.02 . 2 . . . A 416 LYS HG3 . 17858 1 123 . 1 1 13 13 LYS HD3 H 1 1.399 0.02 . 2 . . . A 416 LYS HD3 . 17858 1 124 . 1 1 13 13 LYS HE2 H 1 2.659 0.02 . 1 . . . A 416 LYS HE2 . 17858 1 125 . 1 1 13 13 LYS HE3 H 1 2.659 0.02 . 1 . . . A 416 LYS HE3 . 17858 1 126 . 1 1 13 13 LYS CA C 13 58.772 0.10 . 1 . . . A 416 LYS CA . 17858 1 127 . 1 1 13 13 LYS CB C 13 32.186 0.10 . 1 . . . A 416 LYS CB . 17858 1 128 . 1 1 13 13 LYS CG C 13 24.345 0.10 . 1 . . . A 416 LYS CG . 17858 1 129 . 1 1 13 13 LYS CD C 13 29.525 0.10 . 1 . . . A 416 LYS CD . 17858 1 130 . 1 1 13 13 LYS CE C 13 42.188 0.10 . 1 . . . A 416 LYS CE . 17858 1 131 . 1 1 13 13 LYS N N 15 129.282 0.10 . 1 . . . A 416 LYS N . 17858 1 132 . 1 1 14 14 PHE H H 1 8.603 0.02 . 1 . . . A 417 PHE H . 17858 1 133 . 1 1 14 14 PHE HA H 1 4.613 0.02 . 1 . . . A 417 PHE HA . 17858 1 134 . 1 1 14 14 PHE HB2 H 1 2.968 0.02 . 2 . . . A 417 PHE HB2 . 17858 1 135 . 1 1 14 14 PHE HB3 H 1 3.052 0.02 . 2 . . . A 417 PHE HB3 . 17858 1 136 . 1 1 14 14 PHE HD1 H 1 7.368 0.02 . 1 . . . A 417 PHE HD1 . 17858 1 137 . 1 1 14 14 PHE HD2 H 1 7.368 0.02 . 1 . . . A 417 PHE HD2 . 17858 1 138 . 1 1 14 14 PHE CA C 13 58.971 0.10 . 1 . . . A 417 PHE CA . 17858 1 139 . 1 1 14 14 PHE CB C 13 39.352 0.10 . 1 . . . A 417 PHE CB . 17858 1 140 . 1 1 14 14 PHE CD1 C 13 132.312 0.10 . 1 . . . A 417 PHE CD1 . 17858 1 141 . 1 1 14 14 PHE CD2 C 13 132.312 0.10 . 1 . . . A 417 PHE CD2 . 17858 1 142 . 1 1 14 14 PHE N N 15 119.338 0.10 . 1 . . . A 417 PHE N . 17858 1 143 . 1 1 15 15 GLY H H 1 7.472 0.02 . 1 . . . A 418 GLY H . 17858 1 144 . 1 1 15 15 GLY HA2 H 1 3.997 0.02 . 2 . . . A 418 GLY HA2 . 17858 1 145 . 1 1 15 15 GLY HA3 H 1 4.217 0.02 . 2 . . . A 418 GLY HA3 . 17858 1 146 . 1 1 15 15 GLY CA C 13 47.937 0.10 . 1 . . . A 418 GLY CA . 17858 1 147 . 1 1 15 15 GLY N N 15 107.206 0.10 . 1 . . . A 418 GLY N . 17858 1 148 . 1 1 16 16 THR H H 1 8.740 0.02 . 1 . . . A 419 THR H . 17858 1 149 . 1 1 16 16 THR HA H 1 4.002 0.02 . 1 . . . A 419 THR HA . 17858 1 150 . 1 1 16 16 THR HB H 1 4.150 0.02 . 1 . . . A 419 THR HB . 17858 1 151 . 1 1 16 16 THR HG21 H 1 1.069 0.02 . 1 . . . A 419 THR HG21 . 17858 1 152 . 1 1 16 16 THR HG22 H 1 1.069 0.02 . 1 . . . A 419 THR HG22 . 17858 1 153 . 1 1 16 16 THR HG23 H 1 1.069 0.02 . 1 . . . A 419 THR HG23 . 17858 1 154 . 1 1 16 16 THR CA C 13 63.842 0.10 . 1 . . . A 419 THR CA . 17858 1 155 . 1 1 16 16 THR CB C 13 68.778 0.10 . 1 . . . A 419 THR CB . 17858 1 156 . 1 1 16 16 THR CG2 C 13 22.137 0.10 . 1 . . . A 419 THR CG2 . 17858 1 157 . 1 1 16 16 THR N N 15 117.234 0.10 . 1 . . . A 419 THR N . 17858 1 158 . 1 1 17 17 HIS H H 1 8.059 0.02 . 1 . . . A 420 HIS H . 17858 1 159 . 1 1 17 17 HIS HA H 1 4.581 0.02 . 1 . . . A 420 HIS HA . 17858 1 160 . 1 1 17 17 HIS HB2 H 1 3.193 0.02 . 2 . . . A 420 HIS HB2 . 17858 1 161 . 1 1 17 17 HIS HB3 H 1 3.321 0.02 . 2 . . . A 420 HIS HB3 . 17858 1 162 . 1 1 17 17 HIS HD2 H 1 7.064 0.02 . 1 . . . A 420 HIS HD2 . 17858 1 163 . 1 1 17 17 HIS HE1 H 1 7.824 0.02 . 1 . . . A 420 HIS HE1 . 17858 1 164 . 1 1 17 17 HIS CA C 13 55.612 0.10 . 1 . . . A 420 HIS CA . 17858 1 165 . 1 1 17 17 HIS CB C 13 29.751 0.10 . 1 . . . A 420 HIS CB . 17858 1 166 . 1 1 17 17 HIS CD2 C 13 120.532 0.10 . 1 . . . A 420 HIS CD2 . 17858 1 167 . 1 1 17 17 HIS CE1 C 13 138.411 0.10 . 1 . . . A 420 HIS CE1 . 17858 1 168 . 1 1 17 17 HIS N N 15 118.028 0.10 . 1 . . . A 420 HIS N . 17858 1 169 . 1 1 18 18 CYS H H 1 7.288 0.02 . 1 . . . A 421 CYS H . 17858 1 170 . 1 1 18 18 CYS HA H 1 3.849 0.02 . 1 . . . A 421 CYS HA . 17858 1 171 . 1 1 18 18 CYS HB2 H 1 2.842 0.02 . 2 . . . A 421 CYS HB2 . 17858 1 172 . 1 1 18 18 CYS HB3 H 1 3.365 0.02 . 2 . . . A 421 CYS HB3 . 17858 1 173 . 1 1 18 18 CYS CA C 13 61.733 0.10 . 1 . . . A 421 CYS CA . 17858 1 174 . 1 1 18 18 CYS CB C 13 30.570 0.10 . 1 . . . A 421 CYS CB . 17858 1 175 . 1 1 18 18 CYS N N 15 122.824 0.10 . 1 . . . A 421 CYS N . 17858 1 176 . 1 1 19 19 THR H H 1 8.435 0.02 . 1 . . . A 422 THR H . 17858 1 177 . 1 1 19 19 THR HA H 1 4.348 0.02 . 1 . . . A 422 THR HA . 17858 1 178 . 1 1 19 19 THR HB H 1 4.441 0.02 . 1 . . . A 422 THR HB . 17858 1 179 . 1 1 19 19 THR HG21 H 1 1.064 0.02 . 1 . . . A 422 THR HG21 . 17858 1 180 . 1 1 19 19 THR HG22 H 1 1.064 0.02 . 1 . . . A 422 THR HG22 . 17858 1 181 . 1 1 19 19 THR HG23 H 1 1.064 0.02 . 1 . . . A 422 THR HG23 . 17858 1 182 . 1 1 19 19 THR CA C 13 61.292 0.10 . 1 . . . A 422 THR CA . 17858 1 183 . 1 1 19 19 THR CB C 13 69.612 0.10 . 1 . . . A 422 THR CB . 17858 1 184 . 1 1 19 19 THR CG2 C 13 21.582 0.10 . 1 . . . A 422 THR CG2 . 17858 1 185 . 1 1 19 19 THR N N 15 119.018 0.10 . 1 . . . A 422 THR N . 17858 1 186 . 1 1 20 20 ASN H H 1 7.924 0.02 . 1 . . . A 423 ASN H . 17858 1 187 . 1 1 20 20 ASN HA H 1 4.690 0.02 . 1 . . . A 423 ASN HA . 17858 1 188 . 1 1 20 20 ASN HB2 H 1 2.812 0.02 . 2 . . . A 423 ASN HB2 . 17858 1 189 . 1 1 20 20 ASN HB3 H 1 2.877 0.02 . 2 . . . A 423 ASN HB3 . 17858 1 190 . 1 1 20 20 ASN HD21 H 1 6.937 0.02 . 1 . . . A 423 ASN HD21 . 17858 1 191 . 1 1 20 20 ASN HD22 H 1 7.787 0.02 . 1 . . . A 423 ASN HD22 . 17858 1 192 . 1 1 20 20 ASN CA C 13 52.203 0.10 . 1 . . . A 423 ASN CA . 17858 1 193 . 1 1 20 20 ASN CB C 13 38.747 0.10 . 1 . . . A 423 ASN CB . 17858 1 194 . 1 1 20 20 ASN N N 15 121.923 0.10 . 1 . . . A 423 ASN N . 17858 1 195 . 1 1 20 20 ASN ND2 N 15 111.059 0.10 . 1 . . . A 423 ASN ND2 . 17858 1 196 . 1 1 21 21 LYS H H 1 9.094 0.02 . 1 . . . A 424 LYS H . 17858 1 197 . 1 1 21 21 LYS HA H 1 3.922 0.02 . 1 . . . A 424 LYS HA . 17858 1 198 . 1 1 21 21 LYS HB2 H 1 1.685 0.02 . 2 . . . A 424 LYS HB2 . 17858 1 199 . 1 1 21 21 LYS HB3 H 1 1.753 0.02 . 2 . . . A 424 LYS HB3 . 17858 1 200 . 1 1 21 21 LYS HG2 H 1 1.366 0.02 . 2 . . . A 424 LYS HG2 . 17858 1 201 . 1 1 21 21 LYS HG3 H 1 1.423 0.02 . 2 . . . A 424 LYS HG3 . 17858 1 202 . 1 1 21 21 LYS HD3 H 1 1.557 0.02 . 2 . . . A 424 LYS HD3 . 17858 1 203 . 1 1 21 21 LYS HE2 H 1 2.880 0.02 . 2 . . . A 424 LYS HE2 . 17858 1 204 . 1 1 21 21 LYS CA C 13 58.647 0.10 . 1 . . . A 424 LYS CA . 17858 1 205 . 1 1 21 21 LYS CB C 13 32.289 0.10 . 1 . . . A 424 LYS CB . 17858 1 206 . 1 1 21 21 LYS CG C 13 25.441 0.10 . 1 . . . A 424 LYS CG . 17858 1 207 . 1 1 21 21 LYS CD C 13 29.481 0.10 . 1 . . . A 424 LYS CD . 17858 1 208 . 1 1 21 21 LYS CE C 13 42.267 0.10 . 1 . . . A 424 LYS CE . 17858 1 209 . 1 1 21 21 LYS N N 15 127.775 0.10 . 1 . . . A 424 LYS N . 17858 1 210 . 1 1 22 22 ARG H H 1 7.825 0.02 . 1 . . . A 425 ARG H . 17858 1 211 . 1 1 22 22 ARG HA H 1 4.270 0.02 . 1 . . . A 425 ARG HA . 17858 1 212 . 1 1 22 22 ARG HB2 H 1 1.524 0.02 . 2 . . . A 425 ARG HB2 . 17858 1 213 . 1 1 22 22 ARG HB3 H 1 1.933 0.02 . 2 . . . A 425 ARG HB3 . 17858 1 214 . 1 1 22 22 ARG HG2 H 1 1.419 0.02 . 2 . . . A 425 ARG HG2 . 17858 1 215 . 1 1 22 22 ARG HG3 H 1 1.484 0.02 . 2 . . . A 425 ARG HG3 . 17858 1 216 . 1 1 22 22 ARG HD3 H 1 3.061 0.02 . 2 . . . A 425 ARG HD3 . 17858 1 217 . 1 1 22 22 ARG CA C 13 54.832 0.10 . 1 . . . A 425 ARG CA . 17858 1 218 . 1 1 22 22 ARG CB C 13 29.549 0.10 . 1 . . . A 425 ARG CB . 17858 1 219 . 1 1 22 22 ARG CG C 13 27.683 0.10 . 1 . . . A 425 ARG CG . 17858 1 220 . 1 1 22 22 ARG CD C 13 43.457 0.10 . 1 . . . A 425 ARG CD . 17858 1 221 . 1 1 22 22 ARG N N 15 116.206 0.10 . 1 . . . A 425 ARG N . 17858 1 222 . 1 1 23 23 CYS H H 1 7.273 0.02 . 1 . . . A 426 CYS H . 17858 1 223 . 1 1 23 23 CYS HA H 1 3.867 0.02 . 1 . . . A 426 CYS HA . 17858 1 224 . 1 1 23 23 CYS HB2 H 1 2.822 0.02 . 2 . . . A 426 CYS HB2 . 17858 1 225 . 1 1 23 23 CYS HB3 H 1 3.121 0.02 . 2 . . . A 426 CYS HB3 . 17858 1 226 . 1 1 23 23 CYS CA C 13 62.205 0.10 . 1 . . . A 426 CYS CA . 17858 1 227 . 1 1 23 23 CYS CB C 13 30.940 0.10 . 1 . . . A 426 CYS CB . 17858 1 228 . 1 1 23 23 CYS N N 15 123.387 0.10 . 1 . . . A 426 CYS N . 17858 1 229 . 1 1 24 24 LYS H H 1 8.525 0.02 . 1 . . . A 427 LYS H . 17858 1 230 . 1 1 24 24 LYS HA H 1 4.299 0.02 . 1 . . . A 427 LYS HA . 17858 1 231 . 1 1 24 24 LYS HB2 H 1 1.523 0.02 . 1 . . . A 427 LYS HB2 . 17858 1 232 . 1 1 24 24 LYS HB3 H 1 1.523 0.02 . 1 . . . A 427 LYS HB3 . 17858 1 233 . 1 1 24 24 LYS HG2 H 1 0.566 0.02 . 2 . . . A 427 LYS HG2 . 17858 1 234 . 1 1 24 24 LYS HG3 H 1 0.987 0.02 . 2 . . . A 427 LYS HG3 . 17858 1 235 . 1 1 24 24 LYS HD2 H 1 1.321 0.02 . 2 . . . A 427 LYS HD2 . 17858 1 236 . 1 1 24 24 LYS HD3 H 1 1.350 0.02 . 2 . . . A 427 LYS HD3 . 17858 1 237 . 1 1 24 24 LYS HE2 H 1 2.689 0.02 . 1 . . . A 427 LYS HE2 . 17858 1 238 . 1 1 24 24 LYS HE3 H 1 2.689 0.02 . 1 . . . A 427 LYS HE3 . 17858 1 239 . 1 1 24 24 LYS CA C 13 57.047 0.10 . 1 . . . A 427 LYS CA . 17858 1 240 . 1 1 24 24 LYS CB C 13 33.275 0.10 . 1 . . . A 427 LYS CB . 17858 1 241 . 1 1 24 24 LYS CG C 13 23.563 0.10 . 1 . . . A 427 LYS CG . 17858 1 242 . 1 1 24 24 LYS CD C 13 29.587 0.10 . 1 . . . A 427 LYS CD . 17858 1 243 . 1 1 24 24 LYS CE C 13 42.435 0.10 . 1 . . . A 427 LYS CE . 17858 1 244 . 1 1 24 24 LYS N N 15 128.443 0.10 . 1 . . . A 427 LYS N . 17858 1 245 . 1 1 25 25 TYR H H 1 8.066 0.02 . 1 . . . A 428 TYR H . 17858 1 246 . 1 1 25 25 TYR HA H 1 4.569 0.02 . 1 . . . A 428 TYR HA . 17858 1 247 . 1 1 25 25 TYR HB2 H 1 2.388 0.02 . 2 . . . A 428 TYR HB2 . 17858 1 248 . 1 1 25 25 TYR HB3 H 1 3.241 0.02 . 2 . . . A 428 TYR HB3 . 17858 1 249 . 1 1 25 25 TYR HD1 H 1 7.165 0.02 . 1 . . . A 428 TYR HD1 . 17858 1 250 . 1 1 25 25 TYR HD2 H 1 7.165 0.02 . 1 . . . A 428 TYR HD2 . 17858 1 251 . 1 1 25 25 TYR HE1 H 1 6.759 0.02 . 1 . . . A 428 TYR HE1 . 17858 1 252 . 1 1 25 25 TYR HE2 H 1 6.759 0.02 . 1 . . . A 428 TYR HE2 . 17858 1 253 . 1 1 25 25 TYR CA C 13 58.470 0.10 . 1 . . . A 428 TYR CA . 17858 1 254 . 1 1 25 25 TYR CB C 13 39.830 0.10 . 1 . . . A 428 TYR CB . 17858 1 255 . 1 1 25 25 TYR CD1 C 13 133.523 0.10 . 1 . . . A 428 TYR CD1 . 17858 1 256 . 1 1 25 25 TYR CD2 C 13 133.523 0.10 . 1 . . . A 428 TYR CD2 . 17858 1 257 . 1 1 25 25 TYR CE1 C 13 118.192 0.10 . 1 . . . A 428 TYR CE1 . 17858 1 258 . 1 1 25 25 TYR CE2 C 13 118.192 0.10 . 1 . . . A 428 TYR CE2 . 17858 1 259 . 1 1 25 25 TYR N N 15 123.059 0.10 . 1 . . . A 428 TYR N . 17858 1 260 . 1 1 26 26 ARG H H 1 8.275 0.02 . 1 . . . A 429 ARG H . 17858 1 261 . 1 1 26 26 ARG HA H 1 4.429 0.02 . 1 . . . A 429 ARG HA . 17858 1 262 . 1 1 26 26 ARG HB2 H 1 1.599 0.02 . 1 . . . A 429 ARG HB2 . 17858 1 263 . 1 1 26 26 ARG HB3 H 1 1.599 0.02 . 1 . . . A 429 ARG HB3 . 17858 1 264 . 1 1 26 26 ARG HD2 H 1 2.980 0.02 . 2 . . . A 429 ARG HD2 . 17858 1 265 . 1 1 26 26 ARG HD3 H 1 3.204 0.02 . 2 . . . A 429 ARG HD3 . 17858 1 266 . 1 1 26 26 ARG CA C 13 58.979 0.10 . 1 . . . A 429 ARG CA . 17858 1 267 . 1 1 26 26 ARG CB C 13 33.073 0.10 . 1 . . . A 429 ARG CB . 17858 1 268 . 1 1 26 26 ARG CD C 13 46.328 0.10 . 1 . . . A 429 ARG CD . 17858 1 269 . 1 1 26 26 ARG N N 15 116.840 0.10 . 1 . . . A 429 ARG N . 17858 1 270 . 1 1 27 27 HIS H H 1 8.154 0.02 . 1 . . . A 430 HIS H . 17858 1 271 . 1 1 27 27 HIS HA H 1 4.553 0.02 . 1 . . . A 430 HIS HA . 17858 1 272 . 1 1 27 27 HIS HB2 H 1 2.590 0.02 . 2 . . . A 430 HIS HB2 . 17858 1 273 . 1 1 27 27 HIS HB3 H 1 2.813 0.02 . 2 . . . A 430 HIS HB3 . 17858 1 274 . 1 1 27 27 HIS HD2 H 1 7.185 0.02 . 1 . . . A 430 HIS HD2 . 17858 1 275 . 1 1 27 27 HIS HE1 H 1 7.723 0.02 . 1 . . . A 430 HIS HE1 . 17858 1 276 . 1 1 27 27 HIS CA C 13 56.912 0.10 . 1 . . . A 430 HIS CA . 17858 1 277 . 1 1 27 27 HIS CB C 13 30.715 0.10 . 1 . . . A 430 HIS CB . 17858 1 278 . 1 1 27 27 HIS CD2 C 13 126.745 0.10 . 1 . . . A 430 HIS CD2 . 17858 1 279 . 1 1 27 27 HIS CE1 C 13 141.036 0.10 . 1 . . . A 430 HIS CE1 . 17858 1 280 . 1 1 27 27 HIS N N 15 117.522 0.10 . 1 . . . A 430 HIS N . 17858 1 281 . 1 1 28 28 ALA H H 1 8.061 0.02 . 1 . . . A 431 ALA H . 17858 1 282 . 1 1 28 28 ALA HA H 1 4.106 0.02 . 1 . . . A 431 ALA HA . 17858 1 283 . 1 1 28 28 ALA HB1 H 1 1.167 0.02 . 1 . . . A 431 ALA HB1 . 17858 1 284 . 1 1 28 28 ALA HB2 H 1 1.167 0.02 . 1 . . . A 431 ALA HB2 . 17858 1 285 . 1 1 28 28 ALA HB3 H 1 1.167 0.02 . 1 . . . A 431 ALA HB3 . 17858 1 286 . 1 1 28 28 ALA CA C 13 51.833 0.10 . 1 . . . A 431 ALA CA . 17858 1 287 . 1 1 28 28 ALA CB C 13 18.291 0.10 . 1 . . . A 431 ALA CB . 17858 1 288 . 1 1 28 28 ALA N N 15 126.087 0.10 . 1 . . . A 431 ALA N . 17858 1 289 . 1 1 29 29 ARG H H 1 8.630 0.02 . 1 . . . A 432 ARG H . 17858 1 290 . 1 1 29 29 ARG HA H 1 4.280 0.02 . 1 . . . A 432 ARG HA . 17858 1 291 . 1 1 29 29 ARG HB2 H 1 1.436 0.02 . 2 . . . A 432 ARG HB2 . 17858 1 292 . 1 1 29 29 ARG HB3 H 1 1.913 0.02 . 2 . . . A 432 ARG HB3 . 17858 1 293 . 1 1 29 29 ARG HG2 H 1 1.419 0.02 . 2 . . . A 432 ARG HG2 . 17858 1 294 . 1 1 29 29 ARG HG3 H 1 1.544 0.02 . 2 . . . A 432 ARG HG3 . 17858 1 295 . 1 1 29 29 ARG HD2 H 1 3.025 0.02 . 2 . . . A 432 ARG HD2 . 17858 1 296 . 1 1 29 29 ARG HD3 H 1 3.028 0.02 . 2 . . . A 432 ARG HD3 . 17858 1 297 . 1 1 29 29 ARG CA C 13 55.492 0.10 . 1 . . . A 432 ARG CA . 17858 1 298 . 1 1 29 29 ARG CB C 13 31.353 0.10 . 1 . . . A 432 ARG CB . 17858 1 299 . 1 1 29 29 ARG CG C 13 27.833 0.10 . 1 . . . A 432 ARG CG . 17858 1 300 . 1 1 29 29 ARG CD C 13 43.327 0.10 . 1 . . . A 432 ARG CD . 17858 1 301 . 1 1 29 29 ARG N N 15 121.538 0.10 . 1 . . . A 432 ARG N . 17858 1 302 . 1 1 30 30 SER H H 1 7.450 0.02 . 1 . . . A 433 SER H . 17858 1 303 . 1 1 30 30 SER HA H 1 4.463 0.02 . 1 . . . A 433 SER HA . 17858 1 304 . 1 1 30 30 SER HB2 H 1 3.251 0.02 . 2 . . . A 433 SER HB2 . 17858 1 305 . 1 1 30 30 SER HB3 H 1 3.516 0.02 . 2 . . . A 433 SER HB3 . 17858 1 306 . 1 1 30 30 SER CA C 13 56.566 0.10 . 1 . . . A 433 SER CA . 17858 1 307 . 1 1 30 30 SER CB C 13 64.803 0.10 . 1 . . . A 433 SER CB . 17858 1 308 . 1 1 30 30 SER N N 15 112.439 0.10 . 1 . . . A 433 SER N . 17858 1 309 . 1 1 31 31 HIS H H 1 8.132 0.02 . 1 . . . A 434 HIS H . 17858 1 310 . 1 1 31 31 HIS HA H 1 4.279 0.02 . 1 . . . A 434 HIS HA . 17858 1 311 . 1 1 31 31 HIS HB2 H 1 2.503 0.02 . 2 . . . A 434 HIS HB2 . 17858 1 312 . 1 1 31 31 HIS HB3 H 1 2.559 0.02 . 2 . . . A 434 HIS HB3 . 17858 1 313 . 1 1 31 31 HIS HD2 H 1 6.285 0.02 . 1 . . . A 434 HIS HD2 . 17858 1 314 . 1 1 31 31 HIS HE1 H 1 7.631 0.02 . 1 . . . A 434 HIS HE1 . 17858 1 315 . 1 1 31 31 HIS CA C 13 56.955 0.10 . 1 . . . A 434 HIS CA . 17858 1 316 . 1 1 31 31 HIS CB C 13 29.834 0.10 . 1 . . . A 434 HIS CB . 17858 1 317 . 1 1 31 31 HIS CD2 C 13 118.866 0.10 . 1 . . . A 434 HIS CD2 . 17858 1 318 . 1 1 31 31 HIS CE1 C 13 138.715 0.10 . 1 . . . A 434 HIS CE1 . 17858 1 319 . 1 1 31 31 HIS N N 15 121.494 0.10 . 1 . . . A 434 HIS N . 17858 1 320 . 1 1 32 32 ILE H H 1 7.858 0.02 . 1 . . . A 435 ILE H . 17858 1 321 . 1 1 32 32 ILE HA H 1 3.506 0.02 . 1 . . . A 435 ILE HA . 17858 1 322 . 1 1 32 32 ILE HB H 1 1.706 0.02 . 1 . . . A 435 ILE HB . 17858 1 323 . 1 1 32 32 ILE HG12 H 1 0.674 0.02 . 2 . . . A 435 ILE HG12 . 17858 1 324 . 1 1 32 32 ILE HG13 H 1 0.852 0.02 . 2 . . . A 435 ILE HG13 . 17858 1 325 . 1 1 32 32 ILE HG21 H 1 0.503 0.02 . 1 . . . A 435 ILE HG21 . 17858 1 326 . 1 1 32 32 ILE HG22 H 1 0.503 0.02 . 1 . . . A 435 ILE HG22 . 17858 1 327 . 1 1 32 32 ILE HG23 H 1 0.503 0.02 . 1 . . . A 435 ILE HG23 . 17858 1 328 . 1 1 32 32 ILE HD11 H 1 0.603 0.02 . 1 . . . A 435 ILE HD11 . 17858 1 329 . 1 1 32 32 ILE HD12 H 1 0.603 0.02 . 1 . . . A 435 ILE HD12 . 17858 1 330 . 1 1 32 32 ILE HD13 H 1 0.603 0.02 . 1 . . . A 435 ILE HD13 . 17858 1 331 . 1 1 32 32 ILE CA C 13 61.345 0.10 . 1 . . . A 435 ILE CA . 17858 1 332 . 1 1 32 32 ILE CB C 13 37.765 0.10 . 1 . . . A 435 ILE CB . 17858 1 333 . 1 1 32 32 ILE CG1 C 13 28.007 0.10 . 1 . . . A 435 ILE CG1 . 17858 1 334 . 1 1 32 32 ILE CG2 C 13 17.189 0.10 . 1 . . . A 435 ILE CG2 . 17858 1 335 . 1 1 32 32 ILE CD1 C 13 12.250 0.10 . 1 . . . A 435 ILE CD1 . 17858 1 336 . 1 1 32 32 ILE N N 15 123.851 0.10 . 1 . . . A 435 ILE N . 17858 1 337 . 1 1 33 33 MET H H 1 8.317 0.02 . 1 . . . A 436 MET H . 17858 1 338 . 1 1 33 33 MET HA H 1 4.050 0.02 . 1 . . . A 436 MET HA . 17858 1 339 . 1 1 33 33 MET HB2 H 1 1.739 0.02 . 2 . . . A 436 MET HB2 . 17858 1 340 . 1 1 33 33 MET HB3 H 1 1.821 0.02 . 2 . . . A 436 MET HB3 . 17858 1 341 . 1 1 33 33 MET HG2 H 1 2.461 0.02 . 2 . . . A 436 MET HG2 . 17858 1 342 . 1 1 33 33 MET HG3 H 1 2.568 0.02 . 2 . . . A 436 MET HG3 . 17858 1 343 . 1 1 33 33 MET HE1 H 1 1.880 0.02 . 1 . . . A 436 MET HE1 . 17858 1 344 . 1 1 33 33 MET HE2 H 1 1.880 0.02 . 1 . . . A 436 MET HE2 . 17858 1 345 . 1 1 33 33 MET HE3 H 1 1.880 0.02 . 1 . . . A 436 MET HE3 . 17858 1 346 . 1 1 33 33 MET CA C 13 54.733 0.10 . 1 . . . A 436 MET CA . 17858 1 347 . 1 1 33 33 MET CB C 13 31.934 0.10 . 1 . . . A 436 MET CB . 17858 1 348 . 1 1 33 33 MET CG C 13 32.681 0.10 . 1 . . . A 436 MET CG . 17858 1 349 . 1 1 33 33 MET CE C 13 17.323 0.10 . 1 . . . A 436 MET CE . 17858 1 350 . 1 1 33 33 MET N N 15 125.294 0.10 . 1 . . . A 436 MET N . 17858 1 351 . 1 1 34 34 CYS H H 1 9.255 0.02 . 1 . . . A 437 CYS H . 17858 1 352 . 1 1 34 34 CYS HA H 1 3.389 0.02 . 1 . . . A 437 CYS HA . 17858 1 353 . 1 1 34 34 CYS HB2 H 1 2.096 0.02 . 2 . . . A 437 CYS HB2 . 17858 1 354 . 1 1 34 34 CYS HB3 H 1 2.519 0.02 . 2 . . . A 437 CYS HB3 . 17858 1 355 . 1 1 34 34 CYS CA C 13 61.544 0.10 . 1 . . . A 437 CYS CA . 17858 1 356 . 1 1 34 34 CYS CB C 13 31.325 0.10 . 1 . . . A 437 CYS CB . 17858 1 357 . 1 1 34 34 CYS N N 15 127.958 0.10 . 1 . . . A 437 CYS N . 17858 1 358 . 1 1 35 35 ARG H H 1 8.645 0.02 . 1 . . . A 438 ARG H . 17858 1 359 . 1 1 35 35 ARG HA H 1 3.887 0.02 . 1 . . . A 438 ARG HA . 17858 1 360 . 1 1 35 35 ARG HB2 H 1 1.759 0.02 . 1 . . . A 438 ARG HB2 . 17858 1 361 . 1 1 35 35 ARG HB3 H 1 1.759 0.02 . 1 . . . A 438 ARG HB3 . 17858 1 362 . 1 1 35 35 ARG HG2 H 1 1.542 0.02 . 2 . . . A 438 ARG HG2 . 17858 1 363 . 1 1 35 35 ARG HG3 H 1 1.543 0.02 . 2 . . . A 438 ARG HG3 . 17858 1 364 . 1 1 35 35 ARG HD2 H 1 3.072 0.02 . 2 . . . A 438 ARG HD2 . 17858 1 365 . 1 1 35 35 ARG HD3 H 1 3.073 0.02 . 2 . . . A 438 ARG HD3 . 17858 1 366 . 1 1 35 35 ARG CA C 13 59.466 0.10 . 1 . . . A 438 ARG CA . 17858 1 367 . 1 1 35 35 ARG CB C 13 30.251 0.10 . 1 . . . A 438 ARG CB . 17858 1 368 . 1 1 35 35 ARG CG C 13 27.001 0.10 . 1 . . . A 438 ARG CG . 17858 1 369 . 1 1 35 35 ARG CD C 13 43.459 0.10 . 1 . . . A 438 ARG CD . 17858 1 370 . 1 1 35 35 ARG N N 15 131.582 0.10 . 1 . . . A 438 ARG N . 17858 1 371 . 1 1 36 36 GLU H H 1 8.302 0.02 . 1 . . . A 439 GLU H . 17858 1 372 . 1 1 36 36 GLU HA H 1 4.284 0.02 . 1 . . . A 439 GLU HA . 17858 1 373 . 1 1 36 36 GLU HB2 H 1 1.954 0.02 . 2 . . . A 439 GLU HB2 . 17858 1 374 . 1 1 36 36 GLU HB3 H 1 1.955 0.02 . 2 . . . A 439 GLU HB3 . 17858 1 375 . 1 1 36 36 GLU HG2 H 1 2.190 0.02 . 1 . . . A 439 GLU HG2 . 17858 1 376 . 1 1 36 36 GLU HG3 H 1 2.190 0.02 . 1 . . . A 439 GLU HG3 . 17858 1 377 . 1 1 36 36 GLU CA C 13 57.440 0.10 . 1 . . . A 439 GLU CA . 17858 1 378 . 1 1 36 36 GLU CB C 13 30.295 0.10 . 1 . . . A 439 GLU CB . 17858 1 379 . 1 1 36 36 GLU CG C 13 38.461 0.10 . 1 . . . A 439 GLU CG . 17858 1 380 . 1 1 36 36 GLU N N 15 117.530 0.10 . 1 . . . A 439 GLU N . 17858 1 381 . 1 1 37 37 GLY H H 1 7.518 0.02 . 1 . . . A 440 GLY H . 17858 1 382 . 1 1 37 37 GLY HA2 H 1 3.809 0.02 . 2 . . . A 440 GLY HA2 . 17858 1 383 . 1 1 37 37 GLY HA3 H 1 3.829 0.02 . 2 . . . A 440 GLY HA3 . 17858 1 384 . 1 1 37 37 GLY CA C 13 47.353 0.10 . 1 . . . A 440 GLY CA . 17858 1 385 . 1 1 37 37 GLY N N 15 107.589 0.10 . 1 . . . A 440 GLY N . 17858 1 386 . 1 1 38 38 ALA H H 1 9.114 0.02 . 1 . . . A 441 ALA H . 17858 1 387 . 1 1 38 38 ALA HA H 1 4.180 0.02 . 1 . . . A 441 ALA HA . 17858 1 388 . 1 1 38 38 ALA HB1 H 1 1.319 0.02 . 1 . . . A 441 ALA HB1 . 17858 1 389 . 1 1 38 38 ALA HB2 H 1 1.319 0.02 . 1 . . . A 441 ALA HB2 . 17858 1 390 . 1 1 38 38 ALA HB3 H 1 1.319 0.02 . 1 . . . A 441 ALA HB3 . 17858 1 391 . 1 1 38 38 ALA CA C 13 53.717 0.10 . 1 . . . A 441 ALA CA . 17858 1 392 . 1 1 38 38 ALA CB C 13 19.127 0.10 . 1 . . . A 441 ALA CB . 17858 1 393 . 1 1 38 38 ALA N N 15 126.673 0.10 . 1 . . . A 441 ALA N . 17858 1 394 . 1 1 39 39 ASN H H 1 8.072 0.02 . 1 . . . A 442 ASN H . 17858 1 395 . 1 1 39 39 ASN HA H 1 4.655 0.02 . 1 . . . A 442 ASN HA . 17858 1 396 . 1 1 39 39 ASN HB2 H 1 2.748 0.02 . 2 . . . A 442 ASN HB2 . 17858 1 397 . 1 1 39 39 ASN HB3 H 1 2.891 0.02 . 2 . . . A 442 ASN HB3 . 17858 1 398 . 1 1 39 39 ASN HD21 H 1 6.930 0.02 . 1 . . . A 442 ASN HD21 . 17858 1 399 . 1 1 39 39 ASN HD22 H 1 7.645 0.02 . 1 . . . A 442 ASN HD22 . 17858 1 400 . 1 1 39 39 ASN CA C 13 52.940 0.10 . 1 . . . A 442 ASN CA . 17858 1 401 . 1 1 39 39 ASN CB C 13 39.264 0.10 . 1 . . . A 442 ASN CB . 17858 1 402 . 1 1 39 39 ASN N N 15 113.951 0.10 . 1 . . . A 442 ASN N . 17858 1 403 . 1 1 39 39 ASN ND2 N 15 113.743 0.10 . 1 . . . A 442 ASN ND2 . 17858 1 404 . 1 1 40 40 CYS H H 1 7.237 0.02 . 1 . . . A 443 CYS H . 17858 1 405 . 1 1 40 40 CYS HA H 1 4.070 0.02 . 1 . . . A 443 CYS HA . 17858 1 406 . 1 1 40 40 CYS HB2 H 1 2.749 0.02 . 2 . . . A 443 CYS HB2 . 17858 1 407 . 1 1 40 40 CYS HB3 H 1 3.291 0.02 . 2 . . . A 443 CYS HB3 . 17858 1 408 . 1 1 40 40 CYS CA C 13 60.661 0.10 . 1 . . . A 443 CYS CA . 17858 1 409 . 1 1 40 40 CYS CB C 13 31.037 0.10 . 1 . . . A 443 CYS CB . 17858 1 410 . 1 1 40 40 CYS N N 15 122.245 0.10 . 1 . . . A 443 CYS N . 17858 1 411 . 1 1 41 41 THR H H 1 9.033 0.02 . 1 . . . A 444 THR H . 17858 1 412 . 1 1 41 41 THR HA H 1 4.411 0.02 . 1 . . . A 444 THR HA . 17858 1 413 . 1 1 41 41 THR HB H 1 4.496 0.02 . 1 . . . A 444 THR HB . 17858 1 414 . 1 1 41 41 THR HG21 H 1 1.017 0.02 . 1 . . . A 444 THR HG21 . 17858 1 415 . 1 1 41 41 THR HG22 H 1 1.017 0.02 . 1 . . . A 444 THR HG22 . 17858 1 416 . 1 1 41 41 THR HG23 H 1 1.017 0.02 . 1 . . . A 444 THR HG23 . 17858 1 417 . 1 1 41 41 THR CA C 13 61.110 0.10 . 1 . . . A 444 THR CA . 17858 1 418 . 1 1 41 41 THR CB C 13 68.937 0.10 . 1 . . . A 444 THR CB . 17858 1 419 . 1 1 41 41 THR CG2 C 13 21.312 0.10 . 1 . . . A 444 THR CG2 . 17858 1 420 . 1 1 41 41 THR N N 15 120.684 0.10 . 1 . . . A 444 THR N . 17858 1 421 . 1 1 42 42 ARG H H 1 7.927 0.02 . 1 . . . A 445 ARG H . 17858 1 422 . 1 1 42 42 ARG HA H 1 4.329 0.02 . 1 . . . A 445 ARG HA . 17858 1 423 . 1 1 42 42 ARG HB2 H 1 1.680 0.02 . 2 . . . A 445 ARG HB2 . 17858 1 424 . 1 1 42 42 ARG HB3 H 1 1.681 0.02 . 2 . . . A 445 ARG HB3 . 17858 1 425 . 1 1 42 42 ARG HG2 H 1 1.506 0.02 . 2 . . . A 445 ARG HG2 . 17858 1 426 . 1 1 42 42 ARG HG3 H 1 1.682 0.02 . 2 . . . A 445 ARG HG3 . 17858 1 427 . 1 1 42 42 ARG HD2 H 1 3.164 0.02 . 1 . . . A 445 ARG HD2 . 17858 1 428 . 1 1 42 42 ARG HD3 H 1 3.164 0.02 . 1 . . . A 445 ARG HD3 . 17858 1 429 . 1 1 42 42 ARG CA C 13 56.416 0.10 . 1 . . . A 445 ARG CA . 17858 1 430 . 1 1 42 42 ARG CB C 13 30.604 0.10 . 1 . . . A 445 ARG CB . 17858 1 431 . 1 1 42 42 ARG CG C 13 27.777 0.10 . 1 . . . A 445 ARG CG . 17858 1 432 . 1 1 42 42 ARG CD C 13 43.797 0.10 . 1 . . . A 445 ARG CD . 17858 1 433 . 1 1 42 42 ARG N N 15 123.977 0.10 . 1 . . . A 445 ARG N . 17858 1 434 . 1 1 43 43 ILE H H 1 9.010 0.02 . 1 . . . A 446 ILE H . 17858 1 435 . 1 1 43 43 ILE HA H 1 3.609 0.02 . 1 . . . A 446 ILE HA . 17858 1 436 . 1 1 43 43 ILE HB H 1 1.756 0.02 . 1 . . . A 446 ILE HB . 17858 1 437 . 1 1 43 43 ILE HG12 H 1 1.184 0.02 . 2 . . . A 446 ILE HG12 . 17858 1 438 . 1 1 43 43 ILE HG13 H 1 1.311 0.02 . 2 . . . A 446 ILE HG13 . 17858 1 439 . 1 1 43 43 ILE HG21 H 1 0.775 0.02 . 1 . . . A 446 ILE HG21 . 17858 1 440 . 1 1 43 43 ILE HG22 H 1 0.775 0.02 . 1 . . . A 446 ILE HG22 . 17858 1 441 . 1 1 43 43 ILE HG23 H 1 0.775 0.02 . 1 . . . A 446 ILE HG23 . 17858 1 442 . 1 1 43 43 ILE HD11 H 1 0.589 0.02 . 1 . . . A 446 ILE HD11 . 17858 1 443 . 1 1 43 43 ILE HD12 H 1 0.589 0.02 . 1 . . . A 446 ILE HD12 . 17858 1 444 . 1 1 43 43 ILE HD13 H 1 0.589 0.02 . 1 . . . A 446 ILE HD13 . 17858 1 445 . 1 1 43 43 ILE CA C 13 63.023 0.10 . 1 . . . A 446 ILE CA . 17858 1 446 . 1 1 43 43 ILE CB C 13 38.463 0.10 . 1 . . . A 446 ILE CB . 17858 1 447 . 1 1 43 43 ILE CG1 C 13 28.505 0.10 . 1 . . . A 446 ILE CG1 . 17858 1 448 . 1 1 43 43 ILE CG2 C 13 18.297 0.10 . 1 . . . A 446 ILE CG2 . 17858 1 449 . 1 1 43 43 ILE CD1 C 13 13.317 0.10 . 1 . . . A 446 ILE CD1 . 17858 1 450 . 1 1 43 43 ILE N N 15 132.203 0.10 . 1 . . . A 446 ILE N . 17858 1 451 . 1 1 44 44 ASP H H 1 8.191 0.02 . 1 . . . A 447 ASP H . 17858 1 452 . 1 1 44 44 ASP HA H 1 4.555 0.02 . 1 . . . A 447 ASP HA . 17858 1 453 . 1 1 44 44 ASP HB2 H 1 2.502 0.02 . 2 . . . A 447 ASP HB2 . 17858 1 454 . 1 1 44 44 ASP HB3 H 1 2.721 0.02 . 2 . . . A 447 ASP HB3 . 17858 1 455 . 1 1 44 44 ASP CA C 13 52.727 0.10 . 1 . . . A 447 ASP CA . 17858 1 456 . 1 1 44 44 ASP CB C 13 40.177 0.10 . 1 . . . A 447 ASP CB . 17858 1 457 . 1 1 44 44 ASP N N 15 116.309 0.10 . 1 . . . A 447 ASP N . 17858 1 458 . 1 1 45 45 CYS H H 1 7.113 0.02 . 1 . . . A 448 CYS H . 17858 1 459 . 1 1 45 45 CYS HA H 1 3.913 0.02 . 1 . . . A 448 CYS HA . 17858 1 460 . 1 1 45 45 CYS HB2 H 1 2.873 0.02 . 2 . . . A 448 CYS HB2 . 17858 1 461 . 1 1 45 45 CYS HB3 H 1 2.967 0.02 . 2 . . . A 448 CYS HB3 . 17858 1 462 . 1 1 45 45 CYS CA C 13 62.082 0.10 . 1 . . . A 448 CYS CA . 17858 1 463 . 1 1 45 45 CYS CB C 13 31.510 0.10 . 1 . . . A 448 CYS CB . 17858 1 464 . 1 1 45 45 CYS N N 15 121.173 0.10 . 1 . . . A 448 CYS N . 17858 1 465 . 1 1 46 46 LEU H H 1 8.451 0.02 . 1 . . . A 449 LEU H . 17858 1 466 . 1 1 46 46 LEU HA H 1 4.657 0.02 . 1 . . . A 449 LEU HA . 17858 1 467 . 1 1 46 46 LEU HB2 H 1 1.313 0.02 . 1 . . . A 449 LEU HB2 . 17858 1 468 . 1 1 46 46 LEU HB3 H 1 1.313 0.02 . 1 . . . A 449 LEU HB3 . 17858 1 469 . 1 1 46 46 LEU HG H 1 1.597 0.02 . 1 . . . A 449 LEU HG . 17858 1 470 . 1 1 46 46 LEU HD11 H 1 0.488 0.02 . 2 . . . A 449 LEU HD11 . 17858 1 471 . 1 1 46 46 LEU HD12 H 1 0.488 0.02 . 2 . . . A 449 LEU HD12 . 17858 1 472 . 1 1 46 46 LEU HD13 H 1 0.488 0.02 . 2 . . . A 449 LEU HD13 . 17858 1 473 . 1 1 46 46 LEU HD21 H 1 0.704 0.02 . 2 . . . A 449 LEU HD21 . 17858 1 474 . 1 1 46 46 LEU HD22 H 1 0.704 0.02 . 2 . . . A 449 LEU HD22 . 17858 1 475 . 1 1 46 46 LEU HD23 H 1 0.704 0.02 . 2 . . . A 449 LEU HD23 . 17858 1 476 . 1 1 46 46 LEU CA C 13 55.144 0.10 . 1 . . . A 449 LEU CA . 17858 1 477 . 1 1 46 46 LEU CB C 13 43.004 0.10 . 1 . . . A 449 LEU CB . 17858 1 478 . 1 1 46 46 LEU CG C 13 26.041 0.10 . 1 . . . A 449 LEU CG . 17858 1 479 . 1 1 46 46 LEU CD1 C 13 25.235 0.10 . 2 . . . A 449 LEU CD1 . 17858 1 480 . 1 1 46 46 LEU CD2 C 13 24.231 0.10 . 2 . . . A 449 LEU CD2 . 17858 1 481 . 1 1 46 46 LEU N N 15 128.150 0.10 . 1 . . . A 449 LEU N . 17858 1 482 . 1 1 47 47 PHE H H 1 8.390 0.02 . 1 . . . A 450 PHE H . 17858 1 483 . 1 1 47 47 PHE HA H 1 4.527 0.02 . 1 . . . A 450 PHE HA . 17858 1 484 . 1 1 47 47 PHE HB2 H 1 2.425 0.02 . 2 . . . A 450 PHE HB2 . 17858 1 485 . 1 1 47 47 PHE HB3 H 1 3.111 0.02 . 2 . . . A 450 PHE HB3 . 17858 1 486 . 1 1 47 47 PHE HD1 H 1 7.341 0.02 . 1 . . . A 450 PHE HD1 . 17858 1 487 . 1 1 47 47 PHE HD2 H 1 7.341 0.02 . 1 . . . A 450 PHE HD2 . 17858 1 488 . 1 1 47 47 PHE HE1 H 1 7.223 0.02 . 1 . . . A 450 PHE HE1 . 17858 1 489 . 1 1 47 47 PHE HE2 H 1 7.223 0.02 . 1 . . . A 450 PHE HE2 . 17858 1 490 . 1 1 47 47 PHE CA C 13 58.198 0.10 . 1 . . . A 450 PHE CA . 17858 1 491 . 1 1 47 47 PHE CB C 13 39.901 0.10 . 1 . . . A 450 PHE CB . 17858 1 492 . 1 1 47 47 PHE CD1 C 13 131.994 0.10 . 1 . . . A 450 PHE CD1 . 17858 1 493 . 1 1 47 47 PHE CD2 C 13 131.994 0.10 . 1 . . . A 450 PHE CD2 . 17858 1 494 . 1 1 47 47 PHE CE1 C 13 131.013 0.10 . 1 . . . A 450 PHE CE1 . 17858 1 495 . 1 1 47 47 PHE CE2 C 13 131.013 0.10 . 1 . . . A 450 PHE CE2 . 17858 1 496 . 1 1 47 47 PHE N N 15 120.646 0.10 . 1 . . . A 450 PHE N . 17858 1 497 . 1 1 48 48 GLY H H 1 8.643 0.02 . 1 . . . A 451 GLY H . 17858 1 498 . 1 1 48 48 GLY HA2 H 1 3.622 0.02 . 1 . . . A 451 GLY HA2 . 17858 1 499 . 1 1 48 48 GLY HA3 H 1 3.622 0.02 . 1 . . . A 451 GLY HA3 . 17858 1 500 . 1 1 48 48 GLY CA C 13 47.675 0.10 . 1 . . . A 451 GLY CA . 17858 1 501 . 1 1 48 48 GLY N N 15 104.118 0.10 . 1 . . . A 451 GLY N . 17858 1 502 . 1 1 49 49 HIS H H 1 6.951 0.02 . 1 . . . A 452 HIS H . 17858 1 503 . 1 1 49 49 HIS HA H 1 4.725 0.02 . 1 . . . A 452 HIS HA . 17858 1 504 . 1 1 49 49 HIS HB2 H 1 2.570 0.02 . 2 . . . A 452 HIS HB2 . 17858 1 505 . 1 1 49 49 HIS HB3 H 1 2.997 0.02 . 2 . . . A 452 HIS HB3 . 17858 1 506 . 1 1 49 49 HIS HD2 H 1 7.208 0.02 . 1 . . . A 452 HIS HD2 . 17858 1 507 . 1 1 49 49 HIS HE1 H 1 7.578 0.02 . 1 . . . A 452 HIS HE1 . 17858 1 508 . 1 1 49 49 HIS CA C 13 54.408 0.10 . 1 . . . A 452 HIS CA . 17858 1 509 . 1 1 49 49 HIS CB C 13 29.515 0.10 . 1 . . . A 452 HIS CB . 17858 1 510 . 1 1 49 49 HIS CD2 C 13 128.064 0.10 . 1 . . . A 452 HIS CD2 . 17858 1 511 . 1 1 49 49 HIS CE1 C 13 140.103 0.10 . 1 . . . A 452 HIS CE1 . 17858 1 512 . 1 1 49 49 HIS N N 15 119.710 0.10 . 1 . . . A 452 HIS N . 17858 1 513 . 1 1 50 50 PRO HA H 1 4.291 0.02 . 1 . . . A 453 PRO HA . 17858 1 514 . 1 1 50 50 PRO HB2 H 1 1.695 0.02 . 2 . . . A 453 PRO HB2 . 17858 1 515 . 1 1 50 50 PRO HB3 H 1 2.297 0.02 . 2 . . . A 453 PRO HB3 . 17858 1 516 . 1 1 50 50 PRO HG2 H 1 1.900 0.02 . 2 . . . A 453 PRO HG2 . 17858 1 517 . 1 1 50 50 PRO HG3 H 1 1.961 0.02 . 2 . . . A 453 PRO HG3 . 17858 1 518 . 1 1 50 50 PRO HD2 H 1 3.352 0.02 . 2 . . . A 453 PRO HD2 . 17858 1 519 . 1 1 50 50 PRO HD3 H 1 3.648 0.02 . 2 . . . A 453 PRO HD3 . 17858 1 520 . 1 1 50 50 PRO CA C 13 63.872 0.10 . 1 . . . A 453 PRO CA . 17858 1 521 . 1 1 50 50 PRO CB C 13 32.724 0.10 . 1 . . . A 453 PRO CB . 17858 1 522 . 1 1 50 50 PRO CG C 13 28.161 0.10 . 1 . . . A 453 PRO CG . 17858 1 523 . 1 1 50 50 PRO CD C 13 50.140 0.10 . 1 . . . A 453 PRO CD . 17858 1 524 . 1 1 51 51 ILE H H 1 8.189 0.02 . 1 . . . A 454 ILE H . 17858 1 525 . 1 1 51 51 ILE HA H 1 3.787 0.02 . 1 . . . A 454 ILE HA . 17858 1 526 . 1 1 51 51 ILE HB H 1 0.757 0.02 . 1 . . . A 454 ILE HB . 17858 1 527 . 1 1 51 51 ILE HG12 H 1 0.370 0.02 . 2 . . . A 454 ILE HG12 . 17858 1 528 . 1 1 51 51 ILE HG13 H 1 1.377 0.02 . 2 . . . A 454 ILE HG13 . 17858 1 529 . 1 1 51 51 ILE HG21 H 1 0.362 0.02 . 1 . . . A 454 ILE HG21 . 17858 1 530 . 1 1 51 51 ILE HG22 H 1 0.362 0.02 . 1 . . . A 454 ILE HG22 . 17858 1 531 . 1 1 51 51 ILE HG23 H 1 0.362 0.02 . 1 . . . A 454 ILE HG23 . 17858 1 532 . 1 1 51 51 ILE HD11 H 1 0.159 0.02 . 1 . . . A 454 ILE HD11 . 17858 1 533 . 1 1 51 51 ILE HD12 H 1 0.159 0.02 . 1 . . . A 454 ILE HD12 . 17858 1 534 . 1 1 51 51 ILE HD13 H 1 0.159 0.02 . 1 . . . A 454 ILE HD13 . 17858 1 535 . 1 1 51 51 ILE CA C 13 61.010 0.10 . 1 . . . A 454 ILE CA . 17858 1 536 . 1 1 51 51 ILE CB C 13 40.204 0.10 . 1 . . . A 454 ILE CB . 17858 1 537 . 1 1 51 51 ILE CG1 C 13 27.830 0.10 . 1 . . . A 454 ILE CG1 . 17858 1 538 . 1 1 51 51 ILE CG2 C 13 18.019 0.10 . 1 . . . A 454 ILE CG2 . 17858 1 539 . 1 1 51 51 ILE CD1 C 13 14.742 0.10 . 1 . . . A 454 ILE CD1 . 17858 1 540 . 1 1 51 51 ILE N N 15 122.942 0.10 . 1 . . . A 454 ILE N . 17858 1 541 . 1 1 52 52 ASN H H 1 8.791 0.02 . 1 . . . A 455 ASN H . 17858 1 542 . 1 1 52 52 ASN HA H 1 4.641 0.02 . 1 . . . A 455 ASN HA . 17858 1 543 . 1 1 52 52 ASN HB2 H 1 2.531 0.02 . 2 . . . A 455 ASN HB2 . 17858 1 544 . 1 1 52 52 ASN HB3 H 1 2.729 0.02 . 2 . . . A 455 ASN HB3 . 17858 1 545 . 1 1 52 52 ASN HD21 H 1 6.832 0.02 . 1 . . . A 455 ASN HD21 . 17858 1 546 . 1 1 52 52 ASN HD22 H 1 7.617 0.02 . 1 . . . A 455 ASN HD22 . 17858 1 547 . 1 1 52 52 ASN CA C 13 52.832 0.10 . 1 . . . A 455 ASN CA . 17858 1 548 . 1 1 52 52 ASN CB C 13 36.969 0.10 . 1 . . . A 455 ASN CB . 17858 1 549 . 1 1 52 52 ASN N N 15 128.496 0.10 . 1 . . . A 455 ASN N . 17858 1 550 . 1 1 52 52 ASN ND2 N 15 113.096 0.10 . 1 . . . A 455 ASN ND2 . 17858 1 551 . 1 1 53 53 GLU H H 1 8.177 0.02 . 1 . . . A 456 GLU H . 17858 1 552 . 1 1 53 53 GLU HA H 1 4.318 0.02 . 1 . . . A 456 GLU HA . 17858 1 553 . 1 1 53 53 GLU HB2 H 1 1.771 0.02 . 2 . . . A 456 GLU HB2 . 17858 1 554 . 1 1 53 53 GLU HB3 H 1 1.767 0.02 . 2 . . . A 456 GLU HB3 . 17858 1 555 . 1 1 53 53 GLU HG2 H 1 2.086 0.02 . 1 . . . A 456 GLU HG2 . 17858 1 556 . 1 1 53 53 GLU HG3 H 1 2.086 0.02 . 1 . . . A 456 GLU HG3 . 17858 1 557 . 1 1 53 53 GLU CA C 13 55.588 0.10 . 1 . . . A 456 GLU CA . 17858 1 558 . 1 1 53 53 GLU CB C 13 33.826 0.10 . 1 . . . A 456 GLU CB . 17858 1 559 . 1 1 53 53 GLU CG C 13 36.550 0.10 . 1 . . . A 456 GLU CG . 17858 1 560 . 1 1 53 53 GLU N N 15 120.059 0.10 . 1 . . . A 456 GLU N . 17858 1 561 . 1 1 54 54 ASP H H 1 8.923 0.02 . 1 . . . A 457 ASP H . 17858 1 562 . 1 1 54 54 ASP HA H 1 4.446 0.02 . 1 . . . A 457 ASP HA . 17858 1 563 . 1 1 54 54 ASP HB2 H 1 2.302 0.02 . 2 . . . A 457 ASP HB2 . 17858 1 564 . 1 1 54 54 ASP HB3 H 1 2.361 0.02 . 2 . . . A 457 ASP HB3 . 17858 1 565 . 1 1 54 54 ASP CA C 13 55.594 0.10 . 1 . . . A 457 ASP CA . 17858 1 566 . 1 1 54 54 ASP CB C 13 41.033 0.10 . 1 . . . A 457 ASP CB . 17858 1 567 . 1 1 54 54 ASP N N 15 124.404 0.10 . 1 . . . A 457 ASP N . 17858 1 568 . 1 1 55 55 CYS H H 1 9.113 0.02 . 1 . . . A 458 CYS H . 17858 1 569 . 1 1 55 55 CYS HA H 1 3.360 0.02 . 1 . . . A 458 CYS HA . 17858 1 570 . 1 1 55 55 CYS HB2 H 1 1.980 0.02 . 2 . . . A 458 CYS HB2 . 17858 1 571 . 1 1 55 55 CYS HB3 H 1 2.439 0.02 . 2 . . . A 458 CYS HB3 . 17858 1 572 . 1 1 55 55 CYS CA C 13 61.284 0.10 . 1 . . . A 458 CYS CA . 17858 1 573 . 1 1 55 55 CYS CB C 13 31.125 0.10 . 1 . . . A 458 CYS CB . 17858 1 574 . 1 1 55 55 CYS N N 15 125.765 0.10 . 1 . . . A 458 CYS N . 17858 1 575 . 1 1 56 56 ARG H H 1 8.601 0.02 . 1 . . . A 459 ARG H . 17858 1 576 . 1 1 56 56 ARG HA H 1 3.875 0.02 . 1 . . . A 459 ARG HA . 17858 1 577 . 1 1 56 56 ARG HB2 H 1 1.204 0.02 . 2 . . . A 459 ARG HB2 . 17858 1 578 . 1 1 56 56 ARG HB3 H 1 1.409 0.02 . 2 . . . A 459 ARG HB3 . 17858 1 579 . 1 1 56 56 ARG HG2 H 1 0.487 0.02 . 2 . . . A 459 ARG HG2 . 17858 1 580 . 1 1 56 56 ARG HG3 H 1 0.957 0.02 . 2 . . . A 459 ARG HG3 . 17858 1 581 . 1 1 56 56 ARG HD2 H 1 2.720 0.02 . 1 . . . A 459 ARG HD2 . 17858 1 582 . 1 1 56 56 ARG HD3 H 1 2.720 0.02 . 1 . . . A 459 ARG HD3 . 17858 1 583 . 1 1 56 56 ARG HE H 1 7.243 0.02 . 1 . . . A 459 ARG HE . 17858 1 584 . 1 1 56 56 ARG CA C 13 58.610 0.10 . 1 . . . A 459 ARG CA . 17858 1 585 . 1 1 56 56 ARG CB C 13 29.566 0.10 . 1 . . . A 459 ARG CB . 17858 1 586 . 1 1 56 56 ARG CG C 13 25.949 0.10 . 1 . . . A 459 ARG CG . 17858 1 587 . 1 1 56 56 ARG CD C 13 43.434 0.10 . 1 . . . A 459 ARG CD . 17858 1 588 . 1 1 56 56 ARG N N 15 130.790 0.10 . 1 . . . A 459 ARG N . 17858 1 589 . 1 1 57 57 PHE H H 1 8.589 0.02 . 1 . . . A 460 PHE H . 17858 1 590 . 1 1 57 57 PHE HA H 1 4.560 0.02 . 1 . . . A 460 PHE HA . 17858 1 591 . 1 1 57 57 PHE HB2 H 1 2.841 0.02 . 2 . . . A 460 PHE HB2 . 17858 1 592 . 1 1 57 57 PHE HB3 H 1 3.043 0.02 . 2 . . . A 460 PHE HB3 . 17858 1 593 . 1 1 57 57 PHE HD1 H 1 7.237 0.02 . 1 . . . A 460 PHE HD1 . 17858 1 594 . 1 1 57 57 PHE HD2 H 1 7.237 0.02 . 1 . . . A 460 PHE HD2 . 17858 1 595 . 1 1 57 57 PHE CA C 13 58.367 0.10 . 1 . . . A 460 PHE CA . 17858 1 596 . 1 1 57 57 PHE CB C 13 39.049 0.10 . 1 . . . A 460 PHE CB . 17858 1 597 . 1 1 57 57 PHE CD1 C 13 131.984 0.10 . 1 . . . A 460 PHE CD1 . 17858 1 598 . 1 1 57 57 PHE CD2 C 13 131.984 0.10 . 1 . . . A 460 PHE CD2 . 17858 1 599 . 1 1 57 57 PHE N N 15 119.175 0.10 . 1 . . . A 460 PHE N . 17858 1 600 . 1 1 58 58 GLY H H 1 7.386 0.02 . 1 . . . A 461 GLY H . 17858 1 601 . 1 1 58 58 GLY HA2 H 1 3.939 0.02 . 2 . . . A 461 GLY HA2 . 17858 1 602 . 1 1 58 58 GLY HA3 H 1 3.987 0.02 . 2 . . . A 461 GLY HA3 . 17858 1 603 . 1 1 58 58 GLY CA C 13 47.253 0.10 . 1 . . . A 461 GLY CA . 17858 1 604 . 1 1 58 58 GLY N N 15 107.317 0.10 . 1 . . . A 461 GLY N . 17858 1 605 . 1 1 59 59 VAL H H 1 8.881 0.02 . 1 . . . A 462 VAL H . 17858 1 606 . 1 1 59 59 VAL HA H 1 3.674 0.02 . 1 . . . A 462 VAL HA . 17858 1 607 . 1 1 59 59 VAL HB H 1 2.033 0.02 . 1 . . . A 462 VAL HB . 17858 1 608 . 1 1 59 59 VAL HG11 H 1 0.819 0.02 . 2 . . . A 462 VAL HG11 . 17858 1 609 . 1 1 59 59 VAL HG12 H 1 0.819 0.02 . 2 . . . A 462 VAL HG12 . 17858 1 610 . 1 1 59 59 VAL HG13 H 1 0.819 0.02 . 2 . . . A 462 VAL HG13 . 17858 1 611 . 1 1 59 59 VAL HG21 H 1 0.820 0.02 . 2 . . . A 462 VAL HG21 . 17858 1 612 . 1 1 59 59 VAL HG22 H 1 0.820 0.02 . 2 . . . A 462 VAL HG22 . 17858 1 613 . 1 1 59 59 VAL HG23 H 1 0.820 0.02 . 2 . . . A 462 VAL HG23 . 17858 1 614 . 1 1 59 59 VAL CA C 13 64.142 0.10 . 1 . . . A 462 VAL CA . 17858 1 615 . 1 1 59 59 VAL CB C 13 32.275 0.10 . 1 . . . A 462 VAL CB . 17858 1 616 . 1 1 59 59 VAL CG1 C 13 20.885 0.10 . 2 . . . A 462 VAL CG1 . 17858 1 617 . 1 1 59 59 VAL CG2 C 13 20.113 0.10 . 2 . . . A 462 VAL CG2 . 17858 1 618 . 1 1 59 59 VAL N N 15 120.829 0.10 . 1 . . . A 462 VAL N . 17858 1 619 . 1 1 60 60 ASN H H 1 7.819 0.02 . 1 . . . A 463 ASN H . 17858 1 620 . 1 1 60 60 ASN HA H 1 4.667 0.02 . 1 . . . A 463 ASN HA . 17858 1 621 . 1 1 60 60 ASN HB2 H 1 2.744 0.02 . 2 . . . A 463 ASN HB2 . 17858 1 622 . 1 1 60 60 ASN HB3 H 1 2.897 0.02 . 2 . . . A 463 ASN HB3 . 17858 1 623 . 1 1 60 60 ASN HD21 H 1 7.012 0.02 . 1 . . . A 463 ASN HD21 . 17858 1 624 . 1 1 60 60 ASN HD22 H 1 7.717 0.02 . 1 . . . A 463 ASN HD22 . 17858 1 625 . 1 1 60 60 ASN CA C 13 53.316 0.10 . 1 . . . A 463 ASN CA . 17858 1 626 . 1 1 60 60 ASN CB C 13 39.355 0.10 . 1 . . . A 463 ASN CB . 17858 1 627 . 1 1 60 60 ASN N N 15 114.923 0.10 . 1 . . . A 463 ASN N . 17858 1 628 . 1 1 60 60 ASN ND2 N 15 114.684 0.10 . 1 . . . A 463 ASN ND2 . 17858 1 629 . 1 1 61 61 CYS H H 1 7.049 0.02 . 1 . . . A 464 CYS H . 17858 1 630 . 1 1 61 61 CYS HA H 1 3.770 0.02 . 1 . . . A 464 CYS HA . 17858 1 631 . 1 1 61 61 CYS HB2 H 1 2.791 0.02 . 2 . . . A 464 CYS HB2 . 17858 1 632 . 1 1 61 61 CYS HB3 H 1 3.405 0.02 . 2 . . . A 464 CYS HB3 . 17858 1 633 . 1 1 61 61 CYS CA C 13 61.725 0.10 . 1 . . . A 464 CYS CA . 17858 1 634 . 1 1 61 61 CYS CB C 13 30.891 0.10 . 1 . . . A 464 CYS CB . 17858 1 635 . 1 1 61 61 CYS N N 15 121.670 0.10 . 1 . . . A 464 CYS N . 17858 1 636 . 1 1 62 62 LYS H H 1 8.836 0.02 . 1 . . . A 465 LYS H . 17858 1 637 . 1 1 62 62 LYS HA H 1 4.312 0.02 . 1 . . . A 465 LYS HA . 17858 1 638 . 1 1 62 62 LYS HB2 H 1 1.469 0.02 . 2 . . . A 465 LYS HB2 . 17858 1 639 . 1 1 62 62 LYS HB3 H 1 1.918 0.02 . 2 . . . A 465 LYS HB3 . 17858 1 640 . 1 1 62 62 LYS HG2 H 1 1.294 0.02 . 2 . . . A 465 LYS HG2 . 17858 1 641 . 1 1 62 62 LYS HG3 H 1 1.364 0.02 . 2 . . . A 465 LYS HG3 . 17858 1 642 . 1 1 62 62 LYS HD2 H 1 1.430 0.02 . 2 . . . A 465 LYS HD2 . 17858 1 643 . 1 1 62 62 LYS HD3 H 1 1.524 0.02 . 2 . . . A 465 LYS HD3 . 17858 1 644 . 1 1 62 62 LYS HE2 H 1 2.848 0.02 . 2 . . . A 465 LYS HE2 . 17858 1 645 . 1 1 62 62 LYS HE3 H 1 2.852 0.02 . 2 . . . A 465 LYS HE3 . 17858 1 646 . 1 1 62 62 LYS CA C 13 55.230 0.10 . 1 . . . A 465 LYS CA . 17858 1 647 . 1 1 62 62 LYS CB C 13 32.794 0.10 . 1 . . . A 465 LYS CB . 17858 1 648 . 1 1 62 62 LYS CG C 13 24.496 0.10 . 1 . . . A 465 LYS CG . 17858 1 649 . 1 1 62 62 LYS CD C 13 28.943 0.10 . 1 . . . A 465 LYS CD . 17858 1 650 . 1 1 62 62 LYS CE C 13 42.538 0.10 . 1 . . . A 465 LYS CE . 17858 1 651 . 1 1 62 62 LYS N N 15 131.072 0.10 . 1 . . . A 465 LYS N . 17858 1 652 . 1 1 63 63 ASN H H 1 7.660 0.02 . 1 . . . A 466 ASN H . 17858 1 653 . 1 1 63 63 ASN HA H 1 4.596 0.02 . 1 . . . A 466 ASN HA . 17858 1 654 . 1 1 63 63 ASN HB2 H 1 2.779 0.02 . 2 . . . A 466 ASN HB2 . 17858 1 655 . 1 1 63 63 ASN HB3 H 1 2.829 0.02 . 2 . . . A 466 ASN HB3 . 17858 1 656 . 1 1 63 63 ASN HD21 H 1 7.148 0.02 . 1 . . . A 466 ASN HD21 . 17858 1 657 . 1 1 63 63 ASN HD22 H 1 7.751 0.02 . 1 . . . A 466 ASN HD22 . 17858 1 658 . 1 1 63 63 ASN CA C 13 52.210 0.10 . 1 . . . A 466 ASN CA . 17858 1 659 . 1 1 63 63 ASN CB C 13 38.827 0.10 . 1 . . . A 466 ASN CB . 17858 1 660 . 1 1 63 63 ASN N N 15 119.130 0.10 . 1 . . . A 466 ASN N . 17858 1 661 . 1 1 63 63 ASN ND2 N 15 110.737 0.10 . 1 . . . A 466 ASN ND2 . 17858 1 662 . 1 1 64 64 ILE H H 1 8.475 0.02 . 1 . . . A 467 ILE H . 17858 1 663 . 1 1 64 64 ILE HA H 1 3.539 0.02 . 1 . . . A 467 ILE HA . 17858 1 664 . 1 1 64 64 ILE HB H 1 1.411 0.02 . 1 . . . A 467 ILE HB . 17858 1 665 . 1 1 64 64 ILE HG12 H 1 0.456 0.02 . 2 . . . A 467 ILE HG12 . 17858 1 666 . 1 1 64 64 ILE HG13 H 1 0.726 0.02 . 2 . . . A 467 ILE HG13 . 17858 1 667 . 1 1 64 64 ILE HG21 H 1 0.448 0.02 . 1 . . . A 467 ILE HG21 . 17858 1 668 . 1 1 64 64 ILE HG22 H 1 0.448 0.02 . 1 . . . A 467 ILE HG22 . 17858 1 669 . 1 1 64 64 ILE HG23 H 1 0.448 0.02 . 1 . . . A 467 ILE HG23 . 17858 1 670 . 1 1 64 64 ILE HD11 H 1 0.473 0.02 . 1 . . . A 467 ILE HD11 . 17858 1 671 . 1 1 64 64 ILE HD12 H 1 0.473 0.02 . 1 . . . A 467 ILE HD12 . 17858 1 672 . 1 1 64 64 ILE HD13 H 1 0.473 0.02 . 1 . . . A 467 ILE HD13 . 17858 1 673 . 1 1 64 64 ILE CA C 13 64.493 0.10 . 1 . . . A 467 ILE CA . 17858 1 674 . 1 1 64 64 ILE CB C 13 38.068 0.10 . 1 . . . A 467 ILE CB . 17858 1 675 . 1 1 64 64 ILE CG1 C 13 26.879 0.10 . 1 . . . A 467 ILE CG1 . 17858 1 676 . 1 1 64 64 ILE CG2 C 13 17.294 0.10 . 1 . . . A 467 ILE CG2 . 17858 1 677 . 1 1 64 64 ILE CD1 C 13 14.285 0.10 . 1 . . . A 467 ILE CD1 . 17858 1 678 . 1 1 64 64 ILE N N 15 125.111 0.10 . 1 . . . A 467 ILE N . 17858 1 679 . 1 1 65 65 TYR H H 1 7.462 0.02 . 1 . . . A 468 TYR H . 17858 1 680 . 1 1 65 65 TYR HA H 1 4.538 0.02 . 1 . . . A 468 TYR HA . 17858 1 681 . 1 1 65 65 TYR HB2 H 1 2.627 0.02 . 2 . . . A 468 TYR HB2 . 17858 1 682 . 1 1 65 65 TYR HB3 H 1 3.433 0.02 . 2 . . . A 468 TYR HB3 . 17858 1 683 . 1 1 65 65 TYR HD1 H 1 7.017 0.02 . 1 . . . A 468 TYR HD1 . 17858 1 684 . 1 1 65 65 TYR HD2 H 1 7.017 0.02 . 1 . . . A 468 TYR HD2 . 17858 1 685 . 1 1 65 65 TYR HE1 H 1 6.641 0.02 . 1 . . . A 468 TYR HE1 . 17858 1 686 . 1 1 65 65 TYR HE2 H 1 6.641 0.02 . 1 . . . A 468 TYR HE2 . 17858 1 687 . 1 1 65 65 TYR CA C 13 57.003 0.10 . 1 . . . A 468 TYR CA . 17858 1 688 . 1 1 65 65 TYR CB C 13 37.716 0.10 . 1 . . . A 468 TYR CB . 17858 1 689 . 1 1 65 65 TYR CD1 C 13 133.453 0.10 . 1 . . . A 468 TYR CD1 . 17858 1 690 . 1 1 65 65 TYR CD2 C 13 133.453 0.10 . 1 . . . A 468 TYR CD2 . 17858 1 691 . 1 1 65 65 TYR CE1 C 13 118.539 0.10 . 1 . . . A 468 TYR CE1 . 17858 1 692 . 1 1 65 65 TYR CE2 C 13 118.539 0.10 . 1 . . . A 468 TYR CE2 . 17858 1 693 . 1 1 65 65 TYR N N 15 118.920 0.10 . 1 . . . A 468 TYR N . 17858 1 694 . 1 1 66 66 CYS H H 1 7.305 0.02 . 1 . . . A 469 CYS H . 17858 1 695 . 1 1 66 66 CYS HA H 1 4.009 0.02 . 1 . . . A 469 CYS HA . 17858 1 696 . 1 1 66 66 CYS HB2 H 1 2.933 0.02 . 1 . . . A 469 CYS HB2 . 17858 1 697 . 1 1 66 66 CYS HB3 H 1 2.933 0.02 . 1 . . . A 469 CYS HB3 . 17858 1 698 . 1 1 66 66 CYS CA C 13 62.039 0.10 . 1 . . . A 469 CYS CA . 17858 1 699 . 1 1 66 66 CYS CB C 13 31.455 0.10 . 1 . . . A 469 CYS CB . 17858 1 700 . 1 1 66 66 CYS N N 15 122.658 0.10 . 1 . . . A 469 CYS N . 17858 1 701 . 1 1 67 67 LEU H H 1 9.002 0.02 . 1 . . . A 470 LEU H . 17858 1 702 . 1 1 67 67 LEU HA H 1 4.353 0.02 . 1 . . . A 470 LEU HA . 17858 1 703 . 1 1 67 67 LEU HB2 H 1 1.398 0.02 . 2 . . . A 470 LEU HB2 . 17858 1 704 . 1 1 67 67 LEU HB3 H 1 1.823 0.02 . 2 . . . A 470 LEU HB3 . 17858 1 705 . 1 1 67 67 LEU HG H 1 1.802 0.02 . 1 . . . A 470 LEU HG . 17858 1 706 . 1 1 67 67 LEU HD11 H 1 0.574 0.02 . 2 . . . A 470 LEU HD11 . 17858 1 707 . 1 1 67 67 LEU HD12 H 1 0.574 0.02 . 2 . . . A 470 LEU HD12 . 17858 1 708 . 1 1 67 67 LEU HD13 H 1 0.574 0.02 . 2 . . . A 470 LEU HD13 . 17858 1 709 . 1 1 67 67 LEU HD21 H 1 0.907 0.02 . 2 . . . A 470 LEU HD21 . 17858 1 710 . 1 1 67 67 LEU HD22 H 1 0.907 0.02 . 2 . . . A 470 LEU HD22 . 17858 1 711 . 1 1 67 67 LEU HD23 H 1 0.907 0.02 . 2 . . . A 470 LEU HD23 . 17858 1 712 . 1 1 67 67 LEU CA C 13 55.947 0.10 . 1 . . . A 470 LEU CA . 17858 1 713 . 1 1 67 67 LEU CB C 13 42.125 0.10 . 1 . . . A 470 LEU CB . 17858 1 714 . 1 1 67 67 LEU CG C 13 26.276 0.10 . 1 . . . A 470 LEU CG . 17858 1 715 . 1 1 67 67 LEU CD1 C 13 22.467 0.10 . 2 . . . A 470 LEU CD1 . 17858 1 716 . 1 1 67 67 LEU CD2 C 13 25.217 0.10 . 2 . . . A 470 LEU CD2 . 17858 1 717 . 1 1 67 67 LEU N N 15 130.238 0.10 . 1 . . . A 470 LEU N . 17858 1 718 . 1 1 68 68 PHE H H 1 8.519 0.02 . 1 . . . A 471 PHE H . 17858 1 719 . 1 1 68 68 PHE HA H 1 4.576 0.02 . 1 . . . A 471 PHE HA . 17858 1 720 . 1 1 68 68 PHE HB2 H 1 2.733 0.02 . 2 . . . A 471 PHE HB2 . 17858 1 721 . 1 1 68 68 PHE HB3 H 1 3.028 0.02 . 2 . . . A 471 PHE HB3 . 17858 1 722 . 1 1 68 68 PHE HD1 H 1 7.236 0.02 . 1 . . . A 471 PHE HD1 . 17858 1 723 . 1 1 68 68 PHE HD2 H 1 7.236 0.02 . 1 . . . A 471 PHE HD2 . 17858 1 724 . 1 1 68 68 PHE CA C 13 59.242 0.10 . 1 . . . A 471 PHE CA . 17858 1 725 . 1 1 68 68 PHE CB C 13 39.865 0.10 . 1 . . . A 471 PHE CB . 17858 1 726 . 1 1 68 68 PHE CD1 C 13 132.174 0.10 . 1 . . . A 471 PHE CD1 . 17858 1 727 . 1 1 68 68 PHE CD2 C 13 132.174 0.10 . 1 . . . A 471 PHE CD2 . 17858 1 728 . 1 1 68 68 PHE N N 15 120.946 0.10 . 1 . . . A 471 PHE N . 17858 1 729 . 1 1 69 69 ARG H H 1 8.417 0.02 . 1 . . . A 472 ARG H . 17858 1 730 . 1 1 69 69 ARG HA H 1 4.331 0.02 . 1 . . . A 472 ARG HA . 17858 1 731 . 1 1 69 69 ARG HB2 H 1 1.673 0.02 . 2 . . . A 472 ARG HB2 . 17858 1 732 . 1 1 69 69 ARG HB3 H 1 1.691 0.02 . 2 . . . A 472 ARG HB3 . 17858 1 733 . 1 1 69 69 ARG HG2 H 1 1.430 0.02 . 2 . . . A 472 ARG HG2 . 17858 1 734 . 1 1 69 69 ARG HG3 H 1 1.575 0.02 . 2 . . . A 472 ARG HG3 . 17858 1 735 . 1 1 69 69 ARG HD2 H 1 3.027 0.02 . 2 . . . A 472 ARG HD2 . 17858 1 736 . 1 1 69 69 ARG HD3 H 1 3.154 0.02 . 2 . . . A 472 ARG HD3 . 17858 1 737 . 1 1 69 69 ARG HE H 1 7.369 0.02 . 1 . . . A 472 ARG HE . 17858 1 738 . 1 1 69 69 ARG CA C 13 56.933 0.10 . 1 . . . A 472 ARG CA . 17858 1 739 . 1 1 69 69 ARG CB C 13 31.822 0.10 . 1 . . . A 472 ARG CB . 17858 1 740 . 1 1 69 69 ARG CG C 13 27.806 0.10 . 1 . . . A 472 ARG CG . 17858 1 741 . 1 1 69 69 ARG CD C 13 44.107 0.10 . 1 . . . A 472 ARG CD . 17858 1 742 . 1 1 69 69 ARG N N 15 116.975 0.10 . 1 . . . A 472 ARG N . 17858 1 743 . 1 1 70 70 HIS H H 1 8.499 0.02 . 1 . . . A 473 HIS H . 17858 1 744 . 1 1 70 70 HIS HA H 1 4.991 0.02 . 1 . . . A 473 HIS HA . 17858 1 745 . 1 1 70 70 HIS HB2 H 1 2.707 0.02 . 2 . . . A 473 HIS HB2 . 17858 1 746 . 1 1 70 70 HIS HB3 H 1 2.850 0.02 . 2 . . . A 473 HIS HB3 . 17858 1 747 . 1 1 70 70 HIS HD2 H 1 7.194 0.02 . 1 . . . A 473 HIS HD2 . 17858 1 748 . 1 1 70 70 HIS HE1 H 1 7.656 0.02 . 1 . . . A 473 HIS HE1 . 17858 1 749 . 1 1 70 70 HIS CA C 13 55.311 0.10 . 1 . . . A 473 HIS CA . 17858 1 750 . 1 1 70 70 HIS CB C 13 30.613 0.10 . 1 . . . A 473 HIS CB . 17858 1 751 . 1 1 70 70 HIS CD2 C 13 127.269 0.10 . 1 . . . A 473 HIS CD2 . 17858 1 752 . 1 1 70 70 HIS CE1 C 13 140.516 0.10 . 1 . . . A 473 HIS CE1 . 17858 1 753 . 1 1 70 70 HIS N N 15 118.809 0.10 . 1 . . . A 473 HIS N . 17858 1 754 . 1 1 71 71 PRO HA H 1 4.742 0.02 . 1 . . . A 474 PRO HA . 17858 1 755 . 1 1 71 71 PRO HB2 H 1 1.725 0.02 . 2 . . . A 474 PRO HB2 . 17858 1 756 . 1 1 71 71 PRO HB3 H 1 2.442 0.02 . 2 . . . A 474 PRO HB3 . 17858 1 757 . 1 1 71 71 PRO HG2 H 1 1.929 0.02 . 2 . . . A 474 PRO HG2 . 17858 1 758 . 1 1 71 71 PRO HG3 H 1 1.930 0.02 . 2 . . . A 474 PRO HG3 . 17858 1 759 . 1 1 71 71 PRO HD2 H 1 3.014 0.02 . 2 . . . A 474 PRO HD2 . 17858 1 760 . 1 1 71 71 PRO HD3 H 1 4.046 0.02 . 2 . . . A 474 PRO HD3 . 17858 1 761 . 1 1 71 71 PRO CA C 13 61.250 0.10 . 1 . . . A 474 PRO CA . 17858 1 762 . 1 1 71 71 PRO CB C 13 30.743 0.10 . 1 . . . A 474 PRO CB . 17858 1 763 . 1 1 71 71 PRO CG C 13 27.904 0.10 . 1 . . . A 474 PRO CG . 17858 1 764 . 1 1 71 71 PRO CD C 13 50.498 0.10 . 1 . . . A 474 PRO CD . 17858 1 765 . 1 1 72 72 PRO HA H 1 4.279 0.02 . 1 . . . A 475 PRO HA . 17858 1 766 . 1 1 72 72 PRO HB2 H 1 1.753 0.02 . 2 . . . A 475 PRO HB2 . 17858 1 767 . 1 1 72 72 PRO HB3 H 1 2.242 0.02 . 2 . . . A 475 PRO HB3 . 17858 1 768 . 1 1 72 72 PRO HG2 H 1 1.939 0.02 . 1 . . . A 475 PRO HG2 . 17858 1 769 . 1 1 72 72 PRO HG3 H 1 1.939 0.02 . 1 . . . A 475 PRO HG3 . 17858 1 770 . 1 1 72 72 PRO HD2 H 1 3.530 0.02 . 2 . . . A 475 PRO HD2 . 17858 1 771 . 1 1 72 72 PRO HD3 H 1 3.714 0.02 . 2 . . . A 475 PRO HD3 . 17858 1 772 . 1 1 72 72 PRO CA C 13 63.941 0.10 . 1 . . . A 475 PRO CA . 17858 1 773 . 1 1 72 72 PRO CB C 13 32.122 0.10 . 1 . . . A 475 PRO CB . 17858 1 774 . 1 1 72 72 PRO CG C 13 27.817 0.10 . 1 . . . A 475 PRO CG . 17858 1 775 . 1 1 72 72 PRO CD C 13 50.746 0.10 . 1 . . . A 475 PRO CD . 17858 1 776 . 1 1 73 73 GLY H H 1 8.359 0.02 . 1 . . . A 476 GLY H . 17858 1 777 . 1 1 73 73 GLY HA2 H 1 3.608 0.02 . 2 . . . A 476 GLY HA2 . 17858 1 778 . 1 1 73 73 GLY HA3 H 1 3.925 0.02 . 2 . . . A 476 GLY HA3 . 17858 1 779 . 1 1 73 73 GLY CA C 13 45.142 0.10 . 1 . . . A 476 GLY CA . 17858 1 780 . 1 1 73 73 GLY N N 15 106.525 0.10 . 1 . . . A 476 GLY N . 17858 1 781 . 1 1 74 74 ARG H H 1 7.255 0.02 . 1 . . . A 477 ARG H . 17858 1 782 . 1 1 74 74 ARG HA H 1 4.223 0.02 . 1 . . . A 477 ARG HA . 17858 1 783 . 1 1 74 74 ARG HB2 H 1 1.574 0.02 . 2 . . . A 477 ARG HB2 . 17858 1 784 . 1 1 74 74 ARG HB3 H 1 1.708 0.02 . 2 . . . A 477 ARG HB3 . 17858 1 785 . 1 1 74 74 ARG HG2 H 1 1.287 0.02 . 1 . . . A 477 ARG HG2 . 17858 1 786 . 1 1 74 74 ARG HG3 H 1 1.287 0.02 . 1 . . . A 477 ARG HG3 . 17858 1 787 . 1 1 74 74 ARG HD2 H 1 2.540 0.02 . 1 . . . A 477 ARG HD2 . 17858 1 788 . 1 1 74 74 ARG HD3 H 1 2.540 0.02 . 1 . . . A 477 ARG HD3 . 17858 1 789 . 1 1 74 74 ARG HE H 1 6.696 0.02 . 1 . . . A 477 ARG HE . 17858 1 790 . 1 1 74 74 ARG CA C 13 57.021 0.10 . 1 . . . A 477 ARG CA . 17858 1 791 . 1 1 74 74 ARG CB C 13 31.388 0.10 . 1 . . . A 477 ARG CB . 17858 1 792 . 1 1 74 74 ARG CG C 13 27.048 0.10 . 1 . . . A 477 ARG CG . 17858 1 793 . 1 1 74 74 ARG CD C 13 45.267 0.10 . 1 . . . A 477 ARG CD . 17858 1 794 . 1 1 74 74 ARG N N 15 121.516 0.10 . 1 . . . A 477 ARG N . 17858 1 795 . 1 1 75 75 VAL H H 1 8.569 0.02 . 1 . . . A 478 VAL H . 17858 1 796 . 1 1 75 75 VAL HA H 1 4.054 0.02 . 1 . . . A 478 VAL HA . 17858 1 797 . 1 1 75 75 VAL HB H 1 1.827 0.02 . 1 . . . A 478 VAL HB . 17858 1 798 . 1 1 75 75 VAL HG11 H 1 0.745 0.02 . 2 . . . A 478 VAL HG11 . 17858 1 799 . 1 1 75 75 VAL HG12 H 1 0.745 0.02 . 2 . . . A 478 VAL HG12 . 17858 1 800 . 1 1 75 75 VAL HG13 H 1 0.745 0.02 . 2 . . . A 478 VAL HG13 . 17858 1 801 . 1 1 75 75 VAL HG21 H 1 0.765 0.02 . 2 . . . A 478 VAL HG21 . 17858 1 802 . 1 1 75 75 VAL HG22 H 1 0.765 0.02 . 2 . . . A 478 VAL HG22 . 17858 1 803 . 1 1 75 75 VAL HG23 H 1 0.765 0.02 . 2 . . . A 478 VAL HG23 . 17858 1 804 . 1 1 75 75 VAL CA C 13 61.925 0.10 . 1 . . . A 478 VAL CA . 17858 1 805 . 1 1 75 75 VAL CB C 13 33.788 0.10 . 1 . . . A 478 VAL CB . 17858 1 806 . 1 1 75 75 VAL CG1 C 13 21.316 0.10 . 2 . . . A 478 VAL CG1 . 17858 1 807 . 1 1 75 75 VAL CG2 C 13 20.622 0.10 . 2 . . . A 478 VAL CG2 . 17858 1 808 . 1 1 75 75 VAL N N 15 128.411 0.10 . 1 . . . A 478 VAL N . 17858 1 809 . 1 1 76 76 LEU H H 1 8.338 0.02 . 1 . . . A 479 LEU H . 17858 1 810 . 1 1 76 76 LEU HA H 1 4.462 0.02 . 1 . . . A 479 LEU HA . 17858 1 811 . 1 1 76 76 LEU HB2 H 1 1.328 0.02 . 2 . . . A 479 LEU HB2 . 17858 1 812 . 1 1 76 76 LEU HB3 H 1 1.416 0.02 . 2 . . . A 479 LEU HB3 . 17858 1 813 . 1 1 76 76 LEU HG H 1 1.360 0.02 . 1 . . . A 479 LEU HG . 17858 1 814 . 1 1 76 76 LEU HD11 H 1 0.619 0.02 . 2 . . . A 479 LEU HD11 . 17858 1 815 . 1 1 76 76 LEU HD12 H 1 0.619 0.02 . 2 . . . A 479 LEU HD12 . 17858 1 816 . 1 1 76 76 LEU HD13 H 1 0.619 0.02 . 2 . . . A 479 LEU HD13 . 17858 1 817 . 1 1 76 76 LEU HD21 H 1 0.707 0.02 . 2 . . . A 479 LEU HD21 . 17858 1 818 . 1 1 76 76 LEU HD22 H 1 0.707 0.02 . 2 . . . A 479 LEU HD22 . 17858 1 819 . 1 1 76 76 LEU HD23 H 1 0.707 0.02 . 2 . . . A 479 LEU HD23 . 17858 1 820 . 1 1 76 76 LEU CA C 13 52.474 0.10 . 1 . . . A 479 LEU CA . 17858 1 821 . 1 1 76 76 LEU CB C 13 42.068 0.10 . 1 . . . A 479 LEU CB . 17858 1 822 . 1 1 76 76 LEU CG C 13 27.254 0.10 . 1 . . . A 479 LEU CG . 17858 1 823 . 1 1 76 76 LEU CD1 C 13 23.354 0.10 . 2 . . . A 479 LEU CD1 . 17858 1 824 . 1 1 76 76 LEU CD2 C 13 25.506 0.10 . 2 . . . A 479 LEU CD2 . 17858 1 825 . 1 1 76 76 LEU N N 15 127.195 0.10 . 1 . . . A 479 LEU N . 17858 1 826 . 1 1 77 77 PRO HA H 1 4.251 0.02 . 1 . . . A 480 PRO HA . 17858 1 827 . 1 1 77 77 PRO HB2 H 1 1.713 0.02 . 2 . . . A 480 PRO HB2 . 17858 1 828 . 1 1 77 77 PRO HB3 H 1 2.137 0.02 . 2 . . . A 480 PRO HB3 . 17858 1 829 . 1 1 77 77 PRO HG2 H 1 1.851 0.02 . 2 . . . A 480 PRO HG2 . 17858 1 830 . 1 1 77 77 PRO HG3 H 1 1.852 0.02 . 2 . . . A 480 PRO HG3 . 17858 1 831 . 1 1 77 77 PRO HD2 H 1 3.394 0.02 . 2 . . . A 480 PRO HD2 . 17858 1 832 . 1 1 77 77 PRO HD3 H 1 3.649 0.02 . 2 . . . A 480 PRO HD3 . 17858 1 833 . 1 1 77 77 PRO CA C 13 63.072 0.10 . 1 . . . A 480 PRO CA . 17858 1 834 . 1 1 77 77 PRO CB C 13 32.313 0.10 . 1 . . . A 480 PRO CB . 17858 1 835 . 1 1 77 77 PRO CG C 13 27.795 0.10 . 1 . . . A 480 PRO CG . 17858 1 836 . 1 1 77 77 PRO CD C 13 50.738 0.10 . 1 . . . A 480 PRO CD . 17858 1 837 . 1 1 78 78 GLU H H 1 8.328 0.02 . 1 . . . A 481 GLU H . 17858 1 838 . 1 1 78 78 GLU HA H 1 4.089 0.02 . 1 . . . A 481 GLU HA . 17858 1 839 . 1 1 78 78 GLU HB2 H 1 1.770 0.02 . 2 . . . A 481 GLU HB2 . 17858 1 840 . 1 1 78 78 GLU HB3 H 1 1.856 0.02 . 2 . . . A 481 GLU HB3 . 17858 1 841 . 1 1 78 78 GLU HG2 H 1 2.099 0.02 . 2 . . . A 481 GLU HG2 . 17858 1 842 . 1 1 78 78 GLU HG3 H 1 2.158 0.02 . 2 . . . A 481 GLU HG3 . 17858 1 843 . 1 1 78 78 GLU CA C 13 56.521 0.10 . 1 . . . A 481 GLU CA . 17858 1 844 . 1 1 78 78 GLU CB C 13 31.032 0.10 . 1 . . . A 481 GLU CB . 17858 1 845 . 1 1 78 78 GLU CG C 13 36.512 0.10 . 1 . . . A 481 GLU CG . 17858 1 846 . 1 1 78 78 GLU N N 15 120.828 0.10 . 1 . . . A 481 GLU N . 17858 1 847 . 1 1 79 79 LYS H H 1 8.332 0.02 . 1 . . . A 482 LYS H . 17858 1 848 . 1 1 79 79 LYS HA H 1 4.166 0.02 . 1 . . . A 482 LYS HA . 17858 1 849 . 1 1 79 79 LYS HB2 H 1 1.584 0.02 . 2 . . . A 482 LYS HB2 . 17858 1 850 . 1 1 79 79 LYS HB3 H 1 1.687 0.02 . 2 . . . A 482 LYS HB3 . 17858 1 851 . 1 1 79 79 LYS HG2 H 1 1.274 0.02 . 2 . . . A 482 LYS HG2 . 17858 1 852 . 1 1 79 79 LYS HG3 H 1 1.296 0.02 . 2 . . . A 482 LYS HG3 . 17858 1 853 . 1 1 79 79 LYS HD2 H 1 1.539 0.02 . 1 . . . A 482 LYS HD2 . 17858 1 854 . 1 1 79 79 LYS HD3 H 1 1.539 0.02 . 1 . . . A 482 LYS HD3 . 17858 1 855 . 1 1 79 79 LYS HE2 H 1 2.857 0.02 . 1 . . . A 482 LYS HE2 . 17858 1 856 . 1 1 79 79 LYS HE3 H 1 2.857 0.02 . 1 . . . A 482 LYS HE3 . 17858 1 857 . 1 1 79 79 LYS CA C 13 56.581 0.10 . 1 . . . A 482 LYS CA . 17858 1 858 . 1 1 79 79 LYS CB C 13 33.279 0.10 . 1 . . . A 482 LYS CB . 17858 1 859 . 1 1 79 79 LYS CG C 13 24.795 0.10 . 1 . . . A 482 LYS CG . 17858 1 860 . 1 1 79 79 LYS CD C 13 29.419 0.10 . 1 . . . A 482 LYS CD . 17858 1 861 . 1 1 79 79 LYS CE C 13 42.447 0.10 . 1 . . . A 482 LYS CE . 17858 1 862 . 1 1 79 79 LYS N N 15 123.778 0.10 . 1 . . . A 482 LYS N . 17858 1 863 . 1 1 80 80 LYS H H 1 7.984 0.02 . 1 . . . A 483 LYS H . 17858 1 864 . 1 1 80 80 LYS HA H 1 4.037 0.02 . 1 . . . A 483 LYS HA . 17858 1 865 . 1 1 80 80 LYS HB2 H 1 1.566 0.02 . 2 . . . A 483 LYS HB2 . 17858 1 866 . 1 1 80 80 LYS HB3 H 1 1.685 0.02 . 2 . . . A 483 LYS HB3 . 17858 1 867 . 1 1 80 80 LYS HG2 H 1 1.251 0.02 . 2 . . . A 483 LYS HG2 . 17858 1 868 . 1 1 80 80 LYS HG3 H 1 1.271 0.02 . 2 . . . A 483 LYS HG3 . 17858 1 869 . 1 1 80 80 LYS HD2 H 1 1.528 0.02 . 1 . . . A 483 LYS HD2 . 17858 1 870 . 1 1 80 80 LYS HD3 H 1 1.528 0.02 . 1 . . . A 483 LYS HD3 . 17858 1 871 . 1 1 80 80 LYS HE2 H 1 2.855 0.02 . 1 . . . A 483 LYS HE2 . 17858 1 872 . 1 1 80 80 LYS HE3 H 1 2.855 0.02 . 1 . . . A 483 LYS HE3 . 17858 1 873 . 1 1 80 80 LYS CA C 13 57.856 0.10 . 1 . . . A 483 LYS CA . 17858 1 874 . 1 1 80 80 LYS CB C 13 34.006 0.10 . 1 . . . A 483 LYS CB . 17858 1 875 . 1 1 80 80 LYS CG C 13 25.027 0.10 . 1 . . . A 483 LYS CG . 17858 1 876 . 1 1 80 80 LYS CD C 13 29.437 0.10 . 1 . . . A 483 LYS CD . 17858 1 877 . 1 1 80 80 LYS CE C 13 42.510 0.10 . 1 . . . A 483 LYS CE . 17858 1 878 . 1 1 80 80 LYS N N 15 129.186 0.10 . 1 . . . A 483 LYS N . 17858 1 stop_ save_