data_19229 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19229 _Entry.Title ; PHD Domain from Human SHPRH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-07 _Entry.Accession_date 2013-05-07 _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 Luciana Machado . ESF . 19229 2 Yulia Pustovalova . . . 19229 3 Alexandra Pozhidaeva . . . 19229 4 Fabio Almeida . CL . 19229 5 Irina Bezsonova . . . 19229 6 Dmitry Korzhnev . M. . 19229 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' . 19229 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID helicase . 19229 'histone linker' . 19229 nmr . 19229 phd . 19229 'PHD finger' . 19229 'RING finger' . 19229 shprh . 19229 SNF2 . 19229 structure . 19229 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19229 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 285 19229 '15N chemical shifts' 68 19229 '1H chemical shifts' 467 19229 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 . . 2013-10-11 2013-05-07 update BMRB 'update entry citation' 19229 1 . . 2013-08-12 2013-05-07 original author 'original release' 19229 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WEP . 19229 PDB 1X4I . 19229 PDB 1XWH . 19229 PDB 2FUI . 19229 PDB 2JMI . 19229 PDB 2K16 . 19229 PDB 2K1J . 19229 PDB 2KKG . 19229 PDB 2M85 'BMRB Entry Tracking System' 19229 PDB 2RSD . 19229 PDB 2VPD . 19229 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19229 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23907177 _Citation.Full_citation . _Citation.Title 'PHD domain from human SHPRH.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 56 _Citation.Journal_issue 4 _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 393 _Citation.Page_last 399 _Citation.Year 2013 _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 Luciana Machado . E.F. . 19229 1 2 Yulia Pustovalova . . . 19229 1 3 Andrew Kile . C. . 19229 1 4 Alexandra Pozhidaeva . . . 19229 1 5 Karlene Cimprich . A. . 19229 1 6 Fabio Almeida . C.L. . 19229 1 7 Irina Bezsonova . . . 19229 1 8 Dmitry Korzhnev . M. . 19229 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19229 _Assembly.ID 1 _Assembly.Name 'PHD Domain from Human SHPRH' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SHPRH 1 $SHPRH A . yes native no no . . . 19229 1 2 'ZINC ION_1' 2 $entity_ZN B . no native no no . . . 19229 1 3 'ZINC ION_2' 2 $entity_ZN C . no native no no . . . 19229 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SHPRH _Entity.Sf_category entity _Entity.Sf_framecode SHPRH _Entity.Entry_ID 19229 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SHPRH _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 ; GSPNSRVDFNTSDYRFECIC GELDQIDRKPRVQCLKCHLW QHAKCVNYDEKNLKIKPFYC PHCLVAMEPVSTR ; _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 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7776.120 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M85 . "Phd Domain From Human Shprh" . . . . . 100.00 73 100.00 100.00 8.95e-47 . . . . 19229 1 2 no REF XP_002747128 . "PREDICTED: E3 ubiquitin-protein ligase SHPRH [Callithrix jacchus]" . . . . . 89.04 1684 98.46 98.46 1.23e-36 . . . . 19229 1 3 no REF XP_010335830 . "PREDICTED: E3 ubiquitin-protein ligase SHPRH isoform X1 [Saimiri boliviensis boliviensis]" . . . . . 89.04 1682 98.46 100.00 2.58e-37 . . . . 19229 1 4 no REF XP_010335831 . "PREDICTED: E3 ubiquitin-protein ligase SHPRH isoform X2 [Saimiri boliviensis boliviensis]" . . . . . 89.04 1573 98.46 100.00 4.28e-37 . . . . 19229 1 5 no REF XP_012308223 . "PREDICTED: E3 ubiquitin-protein ligase SHPRH [Aotus nancymaae]" . . . . . 89.04 1508 100.00 100.00 1.27e-37 . . . . 19229 1 6 no REF XP_012308230 . "PREDICTED: E3 ubiquitin-protein ligase SHPRH [Aotus nancymaae]" . . . . . 89.04 1508 100.00 100.00 1.27e-37 . . . . 19229 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 1 644 GLY . 19229 1 2 645 SER . 19229 1 3 646 PRO . 19229 1 4 647 ASN . 19229 1 5 648 SER . 19229 1 6 649 ARG . 19229 1 7 650 VAL . 19229 1 8 651 ASP . 19229 1 9 652 PHE . 19229 1 10 653 ASN . 19229 1 11 654 THR . 19229 1 12 655 SER . 19229 1 13 656 ASP . 19229 1 14 657 TYR . 19229 1 15 658 ARG . 19229 1 16 659 PHE . 19229 1 17 660 GLU . 19229 1 18 661 CYS . 19229 1 19 662 ILE . 19229 1 20 663 CYS . 19229 1 21 664 GLY . 19229 1 22 665 GLU . 19229 1 23 666 LEU . 19229 1 24 667 ASP . 19229 1 25 668 GLN . 19229 1 26 669 ILE . 19229 1 27 670 ASP . 19229 1 28 671 ARG . 19229 1 29 672 LYS . 19229 1 30 673 PRO . 19229 1 31 674 ARG . 19229 1 32 675 VAL . 19229 1 33 676 GLN . 19229 1 34 677 CYS . 19229 1 35 678 LEU . 19229 1 36 679 LYS . 19229 1 37 680 CYS . 19229 1 38 681 HIS . 19229 1 39 682 LEU . 19229 1 40 683 TRP . 19229 1 41 684 GLN . 19229 1 42 685 HIS . 19229 1 43 686 ALA . 19229 1 44 687 LYS . 19229 1 45 688 CYS . 19229 1 46 689 VAL . 19229 1 47 690 ASN . 19229 1 48 691 TYR . 19229 1 49 692 ASP . 19229 1 50 693 GLU . 19229 1 51 694 LYS . 19229 1 52 695 ASN . 19229 1 53 696 LEU . 19229 1 54 697 LYS . 19229 1 55 698 ILE . 19229 1 56 699 LYS . 19229 1 57 700 PRO . 19229 1 58 701 PHE . 19229 1 59 702 TYR . 19229 1 60 703 CYS . 19229 1 61 704 PRO . 19229 1 62 705 HIS . 19229 1 63 706 CYS . 19229 1 64 707 LEU . 19229 1 65 708 VAL . 19229 1 66 709 ALA . 19229 1 67 710 MET . 19229 1 68 711 GLU . 19229 1 69 712 PRO . 19229 1 70 713 VAL . 19229 1 71 714 SER . 19229 1 72 715 THR . 19229 1 73 716 ARG . 19229 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 19229 1 . SER 2 2 19229 1 . PRO 3 3 19229 1 . ASN 4 4 19229 1 . SER 5 5 19229 1 . ARG 6 6 19229 1 . VAL 7 7 19229 1 . ASP 8 8 19229 1 . PHE 9 9 19229 1 . ASN 10 10 19229 1 . THR 11 11 19229 1 . SER 12 12 19229 1 . ASP 13 13 19229 1 . TYR 14 14 19229 1 . ARG 15 15 19229 1 . PHE 16 16 19229 1 . GLU 17 17 19229 1 . CYS 18 18 19229 1 . ILE 19 19 19229 1 . CYS 20 20 19229 1 . GLY 21 21 19229 1 . GLU 22 22 19229 1 . LEU 23 23 19229 1 . ASP 24 24 19229 1 . GLN 25 25 19229 1 . ILE 26 26 19229 1 . ASP 27 27 19229 1 . ARG 28 28 19229 1 . LYS 29 29 19229 1 . PRO 30 30 19229 1 . ARG 31 31 19229 1 . VAL 32 32 19229 1 . GLN 33 33 19229 1 . CYS 34 34 19229 1 . LEU 35 35 19229 1 . LYS 36 36 19229 1 . CYS 37 37 19229 1 . HIS 38 38 19229 1 . LEU 39 39 19229 1 . TRP 40 40 19229 1 . GLN 41 41 19229 1 . HIS 42 42 19229 1 . ALA 43 43 19229 1 . LYS 44 44 19229 1 . CYS 45 45 19229 1 . VAL 46 46 19229 1 . ASN 47 47 19229 1 . TYR 48 48 19229 1 . ASP 49 49 19229 1 . GLU 50 50 19229 1 . LYS 51 51 19229 1 . ASN 52 52 19229 1 . LEU 53 53 19229 1 . LYS 54 54 19229 1 . ILE 55 55 19229 1 . LYS 56 56 19229 1 . PRO 57 57 19229 1 . PHE 58 58 19229 1 . TYR 59 59 19229 1 . CYS 60 60 19229 1 . PRO 61 61 19229 1 . HIS 62 62 19229 1 . CYS 63 63 19229 1 . LEU 64 64 19229 1 . VAL 65 65 19229 1 . ALA 66 66 19229 1 . MET 67 67 19229 1 . GLU 68 68 19229 1 . PRO 69 69 19229 1 . VAL 70 70 19229 1 . SER 71 71 19229 1 . THR 72 72 19229 1 . ARG 73 73 19229 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 19229 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic 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 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 19229 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 19229 2 ZN 'Three letter code' 19229 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 19229 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 19229 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 19229 _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 $SHPRH . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19229 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 19229 _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 $SHPRH . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PGEX-4T3 . . . . . . 19229 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 19229 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic 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 . _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 19229 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 19229 ZN [Zn++] SMILES CACTVS 3.341 19229 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 19229 ZN [Zn+2] SMILES ACDLabs 10.04 19229 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 19229 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19229 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 19229 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19229 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19229 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19229 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HEPES '[U-100% 13C; U-100% 15N]' . . . . . . 50 . . mM . . . . 19229 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19229 1 3 'ZINC ION' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19229 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19229 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19229 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19229 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19229 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 19229 1 pH 7.0 . pH 19229 1 pressure 1 . atm 19229 1 temperature 293 . K 19229 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19229 _Software.ID 1 _Software.Name CARA _Software.Version 1.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19229 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19229 1 'peak picking' 19229 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19229 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19229 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19229 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19229 _Software.ID 3 _Software.Name TALOS _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19229 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'prediction of backbone torsion angles' 19229 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19229 _Software.ID 4 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19229 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19229 4 stop_ save_ save_ABACUS _Software.Sf_category software _Software.Sf_framecode ABACUS _Software.Entry_ID 19229 _Software.ID 5 _Software.Name ABACUS _Software.Version 2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19229 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19229 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 19229 _Software.ID 6 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 19229 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19229 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19229 _Software.ID 7 _Software.Name CNS _Software.Version 2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19229 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19229 7 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 19229 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19229 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19229 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Avance . 500 . . . 19229 1 2 spectrometer_2 Varian Avance . 800 . . . 19229 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 19229 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19229 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19229 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19229 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19229 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19229 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19229 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19229 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19229 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19229 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19229 1 11 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19229 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 19229 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19229 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19229 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19229 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 19229 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_SHPRH_cshifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode SHPRH_cshifts _Assigned_chem_shift_list.Entry_ID 19229 _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' . . . 19229 1 2 '2D 1H-13C HSQC aliphatic' . . . 19229 1 3 '2D 1H-13C HSQC aromatic' . . . 19229 1 4 '3D HNCACB' . . . 19229 1 5 '3D HNCO' . . . 19229 1 6 '3D HCCH-TOCSY' . . . 19229 1 7 '3D CBCA(CO)NH' . . . 19229 1 8 '3D HBHA(CO)NH' . . . 19229 1 9 '3D 1H-13C NOESY aliphatic' . . . 19229 1 10 '3D 1H-13C NOESY aromatic' . . . 19229 1 11 '3D CCH-TOCSY' . . . 19229 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 9 9 PHE HA H 1 4.460 0.04 . 1 . . . A 652 PHE HA . 19229 1 2 . 1 1 9 9 PHE HB2 H 1 2.983 0.04 . 2 . . . A 652 PHE HB2 . 19229 1 3 . 1 1 9 9 PHE HB3 H 1 2.861 0.04 . 2 . . . A 652 PHE HB3 . 19229 1 4 . 1 1 9 9 PHE HD1 H 1 6.825 0.04 . 3 . . . A 652 PHE HD1 . 19229 1 5 . 1 1 9 9 PHE HD2 H 1 6.825 0.04 . 3 . . . A 652 PHE HD2 . 19229 1 6 . 1 1 9 9 PHE HZ H 1 8.113 0.04 . 1 . . . A 652 PHE HZ . 19229 1 7 . 1 1 9 9 PHE H H 1 7.998 0.04 . 1 . . . A 652 PHE H . 19229 1 8 . 1 1 9 9 PHE C C 13 175.323 0.40 . 1 . . . A 652 PHE C . 19229 1 9 . 1 1 9 9 PHE CA C 13 57.887 0.40 . 1 . . . A 652 PHE CA . 19229 1 10 . 1 1 9 9 PHE CB C 13 39.237 0.40 . 1 . . . A 652 PHE CB . 19229 1 11 . 1 1 9 9 PHE CD2 C 13 132.997 0.40 . 3 . . . A 652 PHE CD2 . 19229 1 12 . 1 1 9 9 PHE CZ C 13 136.760 0.40 . 1 . . . A 652 PHE CZ . 19229 1 13 . 1 1 9 9 PHE N N 15 120.577 0.40 . 1 . . . A 652 PHE N . 19229 1 14 . 1 1 10 10 ASN H H 1 8.357 0.04 . 1 . . . A 653 ASN H . 19229 1 15 . 1 1 10 10 ASN HA H 1 4.588 0.04 . 1 . . . A 653 ASN HA . 19229 1 16 . 1 1 10 10 ASN HB2 H 1 2.761 0.04 . 2 . . . A 653 ASN HB2 . 19229 1 17 . 1 1 10 10 ASN HB3 H 1 2.639 0.04 . 2 . . . A 653 ASN HB3 . 19229 1 18 . 1 1 10 10 ASN HD21 H 1 6.829 0.04 . 2 . . . A 653 ASN HD21 . 19229 1 19 . 1 1 10 10 ASN HD22 H 1 7.561 0.04 . 2 . . . A 653 ASN HD22 . 19229 1 20 . 1 1 10 10 ASN C C 13 175.383 0.40 . 1 . . . A 653 ASN C . 19229 1 21 . 1 1 10 10 ASN CA C 13 53.194 0.40 . 1 . . . A 653 ASN CA . 19229 1 22 . 1 1 10 10 ASN CB C 13 38.813 0.40 . 1 . . . A 653 ASN CB . 19229 1 23 . 1 1 10 10 ASN N N 15 120.067 0.40 . 1 . . . A 653 ASN N . 19229 1 24 . 1 1 10 10 ASN ND2 N 15 113.227 0.40 . 1 . . . A 653 ASN ND2 . 19229 1 25 . 1 1 11 11 THR H H 1 8.040 0.04 . 1 . . . A 654 THR H . 19229 1 26 . 1 1 11 11 THR HA H 1 4.260 0.04 . 1 . . . A 654 THR HA . 19229 1 27 . 1 1 11 11 THR HB H 1 4.223 0.04 . 1 . . . A 654 THR HB . 19229 1 28 . 1 1 11 11 THR HG21 H 1 1.098 0.04 . 1 . . . A 654 THR HG21 . 19229 1 29 . 1 1 11 11 THR HG22 H 1 1.098 0.04 . 1 . . . A 654 THR HG22 . 19229 1 30 . 1 1 11 11 THR HG23 H 1 1.098 0.04 . 1 . . . A 654 THR HG23 . 19229 1 31 . 1 1 11 11 THR C C 13 174.825 0.40 . 1 . . . A 654 THR C . 19229 1 32 . 1 1 11 11 THR CA C 13 61.806 0.40 . 1 . . . A 654 THR CA . 19229 1 33 . 1 1 11 11 THR CB C 13 69.645 0.40 . 1 . . . A 654 THR CB . 19229 1 34 . 1 1 11 11 THR CG2 C 13 21.472 0.40 . 1 . . . A 654 THR CG2 . 19229 1 35 . 1 1 11 11 THR N N 15 113.812 0.40 . 1 . . . A 654 THR N . 19229 1 36 . 1 1 12 12 SER H H 1 8.277 0.04 . 1 . . . A 655 SER H . 19229 1 37 . 1 1 12 12 SER HA H 1 4.367 0.04 . 1 . . . A 655 SER HA . 19229 1 38 . 1 1 12 12 SER HB2 H 1 3.822 0.04 . 2 . . . A 655 SER HB2 . 19229 1 39 . 1 1 12 12 SER HB3 H 1 3.757 0.04 . 2 . . . A 655 SER HB3 . 19229 1 40 . 1 1 12 12 SER C C 13 174.218 0.40 . 1 . . . A 655 SER C . 19229 1 41 . 1 1 12 12 SER CA C 13 58.681 0.40 . 1 . . . A 655 SER CA . 19229 1 42 . 1 1 12 12 SER CB C 13 63.586 0.40 . 1 . . . A 655 SER CB . 19229 1 43 . 1 1 12 12 SER N N 15 117.231 0.40 . 1 . . . A 655 SER N . 19229 1 44 . 1 1 13 13 ASP H H 1 8.197 0.04 . 1 . . . A 656 ASP H . 19229 1 45 . 1 1 13 13 ASP HA H 1 4.531 0.04 . 1 . . . A 656 ASP HA . 19229 1 46 . 1 1 13 13 ASP HB2 H 1 2.588 0.04 . 2 . . . A 656 ASP HB2 . 19229 1 47 . 1 1 13 13 ASP HB3 H 1 2.531 0.04 . 2 . . . A 656 ASP HB3 . 19229 1 48 . 1 1 13 13 ASP C C 13 175.250 0.40 . 1 . . . A 656 ASP C . 19229 1 49 . 1 1 13 13 ASP CA C 13 54.385 0.40 . 1 . . . A 656 ASP CA . 19229 1 50 . 1 1 13 13 ASP CB C 13 41.069 0.40 . 1 . . . A 656 ASP CB . 19229 1 51 . 1 1 13 13 ASP N N 15 121.799 0.40 . 1 . . . A 656 ASP N . 19229 1 52 . 1 1 14 14 TYR H H 1 8.023 0.04 . 1 . . . A 657 TYR H . 19229 1 53 . 1 1 14 14 TYR HA H 1 4.446 0.04 . 1 . . . A 657 TYR HA . 19229 1 54 . 1 1 14 14 TYR HB2 H 1 2.870 0.04 . 2 . . . A 657 TYR HB2 . 19229 1 55 . 1 1 14 14 TYR HB3 H 1 2.832 0.04 . 2 . . . A 657 TYR HB3 . 19229 1 56 . 1 1 14 14 TYR HD1 H 1 6.845 0.04 . 3 . . . A 657 TYR HD1 . 19229 1 57 . 1 1 14 14 TYR HD2 H 1 6.845 0.04 . 3 . . . A 657 TYR HD2 . 19229 1 58 . 1 1 14 14 TYR HE1 H 1 6.046 0.04 . 3 . . . A 657 TYR HE1 . 19229 1 59 . 1 1 14 14 TYR HE2 H 1 6.046 0.04 . 3 . . . A 657 TYR HE2 . 19229 1 60 . 1 1 14 14 TYR C C 13 174.607 0.40 . 1 . . . A 657 TYR C . 19229 1 61 . 1 1 14 14 TYR CA C 13 58.688 0.40 . 1 . . . A 657 TYR CA . 19229 1 62 . 1 1 14 14 TYR CB C 13 39.025 0.40 . 1 . . . A 657 TYR CB . 19229 1 63 . 1 1 14 14 TYR CD2 C 13 133.436 0.40 . 3 . . . A 657 TYR CD2 . 19229 1 64 . 1 1 14 14 TYR CE2 C 13 117.521 0.40 . 3 . . . A 657 TYR CE2 . 19229 1 65 . 1 1 14 14 TYR N N 15 122.165 0.40 . 1 . . . A 657 TYR N . 19229 1 66 . 1 1 15 15 ARG H H 1 8.637 0.04 . 1 . . . A 658 ARG H . 19229 1 67 . 1 1 15 15 ARG HA H 1 4.377 0.04 . 1 . . . A 658 ARG HA . 19229 1 68 . 1 1 15 15 ARG HB2 H 1 1.684 0.04 . 2 . . . A 658 ARG HB2 . 19229 1 69 . 1 1 15 15 ARG HB3 H 1 1.661 0.04 . 2 . . . A 658 ARG HB3 . 19229 1 70 . 1 1 15 15 ARG HG2 H 1 1.512 0.04 . 2 . . . A 658 ARG HG2 . 19229 1 71 . 1 1 15 15 ARG HG3 H 1 1.497 0.04 . 2 . . . A 658 ARG HG3 . 19229 1 72 . 1 1 15 15 ARG HD2 H 1 3.134 0.04 . 2 . . . A 658 ARG HD2 . 19229 1 73 . 1 1 15 15 ARG HD3 H 1 3.112 0.04 . 2 . . . A 658 ARG HD3 . 19229 1 74 . 1 1 15 15 ARG C C 13 172.871 0.40 . 1 . . . A 658 ARG C . 19229 1 75 . 1 1 15 15 ARG CA C 13 55.440 0.40 . 1 . . . A 658 ARG CA . 19229 1 76 . 1 1 15 15 ARG CB C 13 32.262 0.40 . 1 . . . A 658 ARG CB . 19229 1 77 . 1 1 15 15 ARG CG C 13 27.520 0.40 . 1 . . . A 658 ARG CG . 19229 1 78 . 1 1 15 15 ARG CD C 13 43.439 0.40 . 1 . . . A 658 ARG CD . 19229 1 79 . 1 1 15 15 ARG N N 15 128.309 0.40 . 1 . . . A 658 ARG N . 19229 1 80 . 1 1 16 16 PHE H H 1 8.551 0.04 . 1 . . . A 659 PHE H . 19229 1 81 . 1 1 16 16 PHE HA H 1 4.925 0.04 . 1 . . . A 659 PHE HA . 19229 1 82 . 1 1 16 16 PHE HB2 H 1 2.893 0.04 . 2 . . . A 659 PHE HB2 . 19229 1 83 . 1 1 16 16 PHE HB3 H 1 2.690 0.04 . 2 . . . A 659 PHE HB3 . 19229 1 84 . 1 1 16 16 PHE HD1 H 1 6.895 0.04 . 3 . . . A 659 PHE HD1 . 19229 1 85 . 1 1 16 16 PHE HD2 H 1 6.895 0.04 . 3 . . . A 659 PHE HD2 . 19229 1 86 . 1 1 16 16 PHE HE1 H 1 6.732 0.04 . 3 . . . A 659 PHE HE1 . 19229 1 87 . 1 1 16 16 PHE HE2 H 1 6.732 0.04 . 3 . . . A 659 PHE HE2 . 19229 1 88 . 1 1 16 16 PHE HZ H 1 7.774 0.04 . 1 . . . A 659 PHE HZ . 19229 1 89 . 1 1 16 16 PHE C C 13 174.558 0.40 . 1 . . . A 659 PHE C . 19229 1 90 . 1 1 16 16 PHE CA C 13 56.471 0.40 . 1 . . . A 659 PHE CA . 19229 1 91 . 1 1 16 16 PHE CB C 13 41.719 0.40 . 1 . . . A 659 PHE CB . 19229 1 92 . 1 1 16 16 PHE CD1 C 13 132.074 0.40 . 3 . . . A 659 PHE CD1 . 19229 1 93 . 1 1 16 16 PHE CE1 C 13 130.276 0.40 . 3 . . . A 659 PHE CE1 . 19229 1 94 . 1 1 16 16 PHE CZ C 13 138.043 0.40 . 1 . . . A 659 PHE CZ . 19229 1 95 . 1 1 16 16 PHE N N 15 125.304 0.40 . 1 . . . A 659 PHE N . 19229 1 96 . 1 1 17 17 GLU H H 1 7.833 0.04 . 1 . . . A 660 GLU H . 19229 1 97 . 1 1 17 17 GLU HA H 1 3.954 0.04 . 1 . . . A 660 GLU HA . 19229 1 98 . 1 1 17 17 GLU HB2 H 1 1.821 0.04 . 2 . . . A 660 GLU HB2 . 19229 1 99 . 1 1 17 17 GLU HB3 H 1 1.813 0.04 . 2 . . . A 660 GLU HB3 . 19229 1 100 . 1 1 17 17 GLU HG2 H 1 1.982 0.04 . 2 . . . A 660 GLU HG2 . 19229 1 101 . 1 1 17 17 GLU HG3 H 1 1.901 0.04 . 2 . . . A 660 GLU HG3 . 19229 1 102 . 1 1 17 17 GLU C C 13 172.361 0.40 . 1 . . . A 660 GLU C . 19229 1 103 . 1 1 17 17 GLU CA C 13 56.471 0.40 . 1 . . . A 660 GLU CA . 19229 1 104 . 1 1 17 17 GLU CB C 13 31.644 0.40 . 1 . . . A 660 GLU CB . 19229 1 105 . 1 1 17 17 GLU CG C 13 36.258 0.40 . 1 . . . A 660 GLU CG . 19229 1 106 . 1 1 17 17 GLU N N 15 128.804 0.40 . 1 . . . A 660 GLU N . 19229 1 107 . 1 1 18 18 CYS H H 1 8.356 0.04 . 1 . . . A 661 CYS H . 19229 1 108 . 1 1 18 18 CYS HA H 1 4.358 0.04 . 1 . . . A 661 CYS HA . 19229 1 109 . 1 1 18 18 CYS HB2 H 1 3.821 0.04 . 2 . . . A 661 CYS HB2 . 19229 1 110 . 1 1 18 18 CYS HB3 H 1 3.759 0.04 . 2 . . . A 661 CYS HB3 . 19229 1 111 . 1 1 18 18 CYS C C 13 176.221 0.40 . 1 . . . A 661 CYS C . 19229 1 112 . 1 1 18 18 CYS CA C 13 59.045 0.40 . 1 . . . A 661 CYS CA . 19229 1 113 . 1 1 18 18 CYS CB C 13 30.839 0.40 . 1 . . . A 661 CYS CB . 19229 1 114 . 1 1 18 18 CYS N N 15 127.001 0.40 . 1 . . . A 661 CYS N . 19229 1 115 . 1 1 19 19 ILE H H 1 8.075 0.04 . 1 . . . A 662 ILE H . 19229 1 116 . 1 1 19 19 ILE HA H 1 4.128 0.04 . 1 . . . A 662 ILE HA . 19229 1 117 . 1 1 19 19 ILE HB H 1 2.001 0.04 . 1 . . . A 662 ILE HB . 19229 1 118 . 1 1 19 19 ILE HG12 H 1 1.188 0.04 . 2 . . . A 662 ILE HG12 . 19229 1 119 . 1 1 19 19 ILE HG13 H 1 1.395 0.04 . 2 . . . A 662 ILE HG13 . 19229 1 120 . 1 1 19 19 ILE HG21 H 1 0.984 0.04 . 1 . . . A 662 ILE HG21 . 19229 1 121 . 1 1 19 19 ILE HG22 H 1 0.984 0.04 . 1 . . . A 662 ILE HG22 . 19229 1 122 . 1 1 19 19 ILE HG23 H 1 0.984 0.04 . 1 . . . A 662 ILE HG23 . 19229 1 123 . 1 1 19 19 ILE HD11 H 1 0.853 0.04 . 1 . . . A 662 ILE HD11 . 19229 1 124 . 1 1 19 19 ILE HD12 H 1 0.853 0.04 . 1 . . . A 662 ILE HD12 . 19229 1 125 . 1 1 19 19 ILE HD13 H 1 0.853 0.04 . 1 . . . A 662 ILE HD13 . 19229 1 126 . 1 1 19 19 ILE C C 13 176.439 0.40 . 1 . . . A 662 ILE C . 19229 1 127 . 1 1 19 19 ILE CA C 13 63.306 0.40 . 1 . . . A 662 ILE CA . 19229 1 128 . 1 1 19 19 ILE CB C 13 38.462 0.40 . 1 . . . A 662 ILE CB . 19229 1 129 . 1 1 19 19 ILE CG1 C 13 27.410 0.40 . 1 . . . A 662 ILE CG1 . 19229 1 130 . 1 1 19 19 ILE CG2 C 13 18.375 0.40 . 1 . . . A 662 ILE CG2 . 19229 1 131 . 1 1 19 19 ILE CD1 C 13 14.175 0.40 . 1 . . . A 662 ILE CD1 . 19229 1 132 . 1 1 19 19 ILE N N 15 127.765 0.40 . 1 . . . A 662 ILE N . 19229 1 133 . 1 1 20 20 CYS H H 1 7.661 0.04 . 1 . . . A 663 CYS H . 19229 1 134 . 1 1 20 20 CYS HA H 1 4.538 0.04 . 1 . . . A 663 CYS HA . 19229 1 135 . 1 1 20 20 CYS HB2 H 1 3.376 0.04 . 2 . . . A 663 CYS HB2 . 19229 1 136 . 1 1 20 20 CYS HB3 H 1 3.228 0.04 . 2 . . . A 663 CYS HB3 . 19229 1 137 . 1 1 20 20 CYS C C 13 177.046 0.40 . 1 . . . A 663 CYS C . 19229 1 138 . 1 1 20 20 CYS CA C 13 58.892 0.40 . 1 . . . A 663 CYS CA . 19229 1 139 . 1 1 20 20 CYS CB C 13 30.994 0.40 . 1 . . . A 663 CYS CB . 19229 1 140 . 1 1 20 20 CYS N N 15 120.000 0.40 . 1 . . . A 663 CYS N . 19229 1 141 . 1 1 21 21 GLY H H 1 7.855 0.04 . 1 . . . A 664 GLY H . 19229 1 142 . 1 1 21 21 GLY HA2 H 1 3.842 0.04 . 2 . . . A 664 GLY HA2 . 19229 1 143 . 1 1 21 21 GLY HA3 H 1 4.058 0.04 . 2 . . . A 664 GLY HA3 . 19229 1 144 . 1 1 21 21 GLY C C 13 173.818 0.40 . 1 . . . A 664 GLY C . 19229 1 145 . 1 1 21 21 GLY CA C 13 45.859 0.40 . 1 . . . A 664 GLY CA . 19229 1 146 . 1 1 21 21 GLY N N 15 110.372 0.40 . 1 . . . A 664 GLY N . 19229 1 147 . 1 1 22 22 GLU H H 1 8.276 0.04 . 1 . . . A 665 GLU H . 19229 1 148 . 1 1 22 22 GLU HA H 1 4.353 0.04 . 1 . . . A 665 GLU HA . 19229 1 149 . 1 1 22 22 GLU HB2 H 1 2.207 0.04 . 2 . . . A 665 GLU HB2 . 19229 1 150 . 1 1 22 22 GLU HB3 H 1 2.112 0.04 . 2 . . . A 665 GLU HB3 . 19229 1 151 . 1 1 22 22 GLU HG2 H 1 2.356 0.04 . 2 . . . A 665 GLU HG2 . 19229 1 152 . 1 1 22 22 GLU HG3 H 1 2.212 0.04 . 2 . . . A 665 GLU HG3 . 19229 1 153 . 1 1 22 22 GLU C C 13 175.990 0.40 . 1 . . . A 665 GLU C . 19229 1 154 . 1 1 22 22 GLU CA C 13 56.286 0.40 . 1 . . . A 665 GLU CA . 19229 1 155 . 1 1 22 22 GLU CB C 13 31.276 0.40 . 1 . . . A 665 GLU CB . 19229 1 156 . 1 1 22 22 GLU CG C 13 36.665 0.40 . 1 . . . A 665 GLU CG . 19229 1 157 . 1 1 22 22 GLU N N 15 122.002 0.40 . 1 . . . A 665 GLU N . 19229 1 158 . 1 1 23 23 LEU H H 1 8.341 0.04 . 1 . . . A 666 LEU H . 19229 1 159 . 1 1 23 23 LEU HA H 1 4.349 0.04 . 1 . . . A 666 LEU HA . 19229 1 160 . 1 1 23 23 LEU HB2 H 1 1.534 0.04 . 2 . . . A 666 LEU HB2 . 19229 1 161 . 1 1 23 23 LEU HB3 H 1 1.520 0.04 . 2 . . . A 666 LEU HB3 . 19229 1 162 . 1 1 23 23 LEU HG H 1 1.611 0.04 . 1 . . . A 666 LEU HG . 19229 1 163 . 1 1 23 23 LEU HD11 H 1 0.839 0.04 . 2 . . . A 666 LEU HD11 . 19229 1 164 . 1 1 23 23 LEU HD12 H 1 0.839 0.04 . 2 . . . A 666 LEU HD12 . 19229 1 165 . 1 1 23 23 LEU HD13 H 1 0.839 0.04 . 2 . . . A 666 LEU HD13 . 19229 1 166 . 1 1 23 23 LEU HD21 H 1 0.837 0.04 . 2 . . . A 666 LEU HD21 . 19229 1 167 . 1 1 23 23 LEU HD22 H 1 0.837 0.04 . 2 . . . A 666 LEU HD22 . 19229 1 168 . 1 1 23 23 LEU HD23 H 1 0.837 0.04 . 2 . . . A 666 LEU HD23 . 19229 1 169 . 1 1 23 23 LEU C C 13 176.816 0.40 . 1 . . . A 666 LEU C . 19229 1 170 . 1 1 23 23 LEU CA C 13 54.595 0.40 . 1 . . . A 666 LEU CA . 19229 1 171 . 1 1 23 23 LEU CB C 13 42.549 0.40 . 1 . . . A 666 LEU CB . 19229 1 172 . 1 1 23 23 LEU CG C 13 27.181 0.40 . 1 . . . A 666 LEU CG . 19229 1 173 . 1 1 23 23 LEU CD1 C 13 24.851 0.40 . 2 . . . A 666 LEU CD1 . 19229 1 174 . 1 1 23 23 LEU CD2 C 13 23.388 0.40 . 2 . . . A 666 LEU CD2 . 19229 1 175 . 1 1 23 23 LEU N N 15 122.355 0.40 . 1 . . . A 666 LEU N . 19229 1 176 . 1 1 24 24 ASP H H 1 8.325 0.04 . 1 . . . A 667 ASP H . 19229 1 177 . 1 1 24 24 ASP HA H 1 4.046 0.04 . 1 . . . A 667 ASP HA . 19229 1 178 . 1 1 24 24 ASP HB2 H 1 2.552 0.04 . 2 . . . A 667 ASP HB2 . 19229 1 179 . 1 1 24 24 ASP HB3 H 1 2.343 0.04 . 2 . . . A 667 ASP HB3 . 19229 1 180 . 1 1 24 24 ASP C C 13 175.432 0.40 . 1 . . . A 667 ASP C . 19229 1 181 . 1 1 24 24 ASP CA C 13 54.172 0.40 . 1 . . . A 667 ASP CA . 19229 1 182 . 1 1 24 24 ASP CB C 13 41.069 0.40 . 1 . . . A 667 ASP CB . 19229 1 183 . 1 1 24 24 ASP N N 15 121.075 0.40 . 1 . . . A 667 ASP N . 19229 1 184 . 1 1 25 25 GLN H H 1 8.083 0.04 . 1 . . . A 668 GLN H . 19229 1 185 . 1 1 25 25 GLN HA H 1 4.197 0.04 . 1 . . . A 668 GLN HA . 19229 1 186 . 1 1 25 25 GLN HB2 H 1 1.939 0.04 . 2 . . . A 668 GLN HB2 . 19229 1 187 . 1 1 25 25 GLN HB3 H 1 1.871 0.04 . 2 . . . A 668 GLN HB3 . 19229 1 188 . 1 1 25 25 GLN HG2 H 1 2.173 0.04 . 2 . . . A 668 GLN HG2 . 19229 1 189 . 1 1 25 25 GLN HG3 H 1 2.093 0.04 . 2 . . . A 668 GLN HG3 . 19229 1 190 . 1 1 25 25 GLN HE21 H 1 7.506 0.04 . 2 . . . A 668 GLN HE21 . 19229 1 191 . 1 1 25 25 GLN HE22 H 1 6.776 0.04 . 2 . . . A 668 GLN HE22 . 19229 1 192 . 1 1 25 25 GLN C C 13 175.420 0.40 . 1 . . . A 668 GLN C . 19229 1 193 . 1 1 25 25 GLN CA C 13 55.225 0.40 . 1 . . . A 668 GLN CA . 19229 1 194 . 1 1 25 25 GLN CB C 13 30.149 0.40 . 1 . . . A 668 GLN CB . 19229 1 195 . 1 1 25 25 GLN CG C 13 33.345 0.40 . 1 . . . A 668 GLN CG . 19229 1 196 . 1 1 25 25 GLN N N 15 121.978 0.40 . 1 . . . A 668 GLN N . 19229 1 197 . 1 1 25 25 GLN NE2 N 15 112.651 0.40 . 1 . . . A 668 GLN NE2 . 19229 1 198 . 1 1 26 26 ILE H H 1 8.155 0.04 . 1 . . . A 669 ILE H . 19229 1 199 . 1 1 26 26 ILE HA H 1 3.878 0.04 . 1 . . . A 669 ILE HA . 19229 1 200 . 1 1 26 26 ILE HB H 1 1.704 0.04 . 1 . . . A 669 ILE HB . 19229 1 201 . 1 1 26 26 ILE HG12 H 1 1.293 0.04 . 2 . . . A 669 ILE HG12 . 19229 1 202 . 1 1 26 26 ILE HG13 H 1 1.285 0.04 . 2 . . . A 669 ILE HG13 . 19229 1 203 . 1 1 26 26 ILE HG21 H 1 0.702 0.04 . 1 . . . A 669 ILE HG21 . 19229 1 204 . 1 1 26 26 ILE HG22 H 1 0.702 0.04 . 1 . . . A 669 ILE HG22 . 19229 1 205 . 1 1 26 26 ILE HG23 H 1 0.702 0.04 . 1 . . . A 669 ILE HG23 . 19229 1 206 . 1 1 26 26 ILE HD11 H 1 0.641 0.04 . 1 . . . A 669 ILE HD11 . 19229 1 207 . 1 1 26 26 ILE HD12 H 1 0.641 0.04 . 1 . . . A 669 ILE HD12 . 19229 1 208 . 1 1 26 26 ILE HD13 H 1 0.641 0.04 . 1 . . . A 669 ILE HD13 . 19229 1 209 . 1 1 26 26 ILE C C 13 175.347 0.40 . 1 . . . A 669 ILE C . 19229 1 210 . 1 1 26 26 ILE CA C 13 61.499 0.40 . 1 . . . A 669 ILE CA . 19229 1 211 . 1 1 26 26 ILE CB C 13 37.123 0.40 . 1 . . . A 669 ILE CB . 19229 1 212 . 1 1 26 26 ILE CG1 C 13 27.317 0.40 . 1 . . . A 669 ILE CG1 . 19229 1 213 . 1 1 26 26 ILE CG2 C 13 17.296 0.40 . 1 . . . A 669 ILE CG2 . 19229 1 214 . 1 1 26 26 ILE CD1 C 13 12.638 0.40 . 1 . . . A 669 ILE CD1 . 19229 1 215 . 1 1 26 26 ILE N N 15 120.079 0.40 . 1 . . . A 669 ILE N . 19229 1 216 . 1 1 27 27 ASP H H 1 7.992 0.04 . 1 . . . A 670 ASP H . 19229 1 217 . 1 1 27 27 ASP HA H 1 4.426 0.04 . 1 . . . A 670 ASP HA . 19229 1 218 . 1 1 27 27 ASP HB2 H 1 2.700 0.04 . 2 . . . A 670 ASP HB2 . 19229 1 219 . 1 1 27 27 ASP HB3 H 1 2.511 0.04 . 2 . . . A 670 ASP HB3 . 19229 1 220 . 1 1 27 27 ASP C C 13 176.124 0.40 . 1 . . . A 670 ASP C . 19229 1 221 . 1 1 27 27 ASP CA C 13 53.609 0.40 . 1 . . . A 670 ASP CA . 19229 1 222 . 1 1 27 27 ASP CB C 13 41.139 0.40 . 1 . . . A 670 ASP CB . 19229 1 223 . 1 1 27 27 ASP N N 15 123.410 0.40 . 1 . . . A 670 ASP N . 19229 1 224 . 1 1 28 28 ARG H H 1 8.274 0.04 . 1 . . . A 671 ARG H . 19229 1 225 . 1 1 28 28 ARG HA H 1 4.169 0.04 . 1 . . . A 671 ARG HA . 19229 1 226 . 1 1 28 28 ARG HB2 H 1 1.898 0.04 . 2 . . . A 671 ARG HB2 . 19229 1 227 . 1 1 28 28 ARG HB3 H 1 1.648 0.04 . 2 . . . A 671 ARG HB3 . 19229 1 228 . 1 1 28 28 ARG HG2 H 1 1.742 0.04 . 2 . . . A 671 ARG HG2 . 19229 1 229 . 1 1 28 28 ARG HG3 H 1 1.431 0.04 . 2 . . . A 671 ARG HG3 . 19229 1 230 . 1 1 28 28 ARG HD2 H 1 3.040 0.04 . 2 . . . A 671 ARG HD2 . 19229 1 231 . 1 1 28 28 ARG HD3 H 1 2.931 0.04 . 2 . . . A 671 ARG HD3 . 19229 1 232 . 1 1 28 28 ARG C C 13 176.476 0.40 . 1 . . . A 671 ARG C . 19229 1 233 . 1 1 28 28 ARG CA C 13 56.038 0.40 . 1 . . . A 671 ARG CA . 19229 1 234 . 1 1 28 28 ARG CB C 13 29.552 0.40 . 1 . . . A 671 ARG CB . 19229 1 235 . 1 1 28 28 ARG CG C 13 27.113 0.40 . 1 . . . A 671 ARG CG . 19229 1 236 . 1 1 28 28 ARG CD C 13 43.032 0.40 . 1 . . . A 671 ARG CD . 19229 1 237 . 1 1 28 28 ARG N N 15 118.285 0.40 . 1 . . . A 671 ARG N . 19229 1 238 . 1 1 29 29 LYS H H 1 8.060 0.04 . 1 . . . A 672 LYS H . 19229 1 239 . 1 1 29 29 LYS HA H 1 4.486 0.04 . 1 . . . A 672 LYS HA . 19229 1 240 . 1 1 29 29 LYS HB2 H 1 1.702 0.04 . 2 . . . A 672 LYS HB2 . 19229 1 241 . 1 1 29 29 LYS HB3 H 1 1.683 0.04 . 2 . . . A 672 LYS HB3 . 19229 1 242 . 1 1 29 29 LYS HG2 H 1 1.264 0.04 . 2 . . . A 672 LYS HG2 . 19229 1 243 . 1 1 29 29 LYS HG3 H 1 1.224 0.04 . 2 . . . A 672 LYS HG3 . 19229 1 244 . 1 1 29 29 LYS HD2 H 1 1.633 0.04 . 2 . . . A 672 LYS HD2 . 19229 1 245 . 1 1 29 29 LYS HD3 H 1 1.552 0.04 . 2 . . . A 672 LYS HD3 . 19229 1 246 . 1 1 29 29 LYS HE2 H 1 2.585 0.04 . 2 . . . A 672 LYS HE2 . 19229 1 247 . 1 1 29 29 LYS HE3 H 1 2.529 0.04 . 2 . . . A 672 LYS HE3 . 19229 1 248 . 1 1 29 29 LYS CA C 13 54.947 0.40 . 1 . . . A 672 LYS CA . 19229 1 249 . 1 1 29 29 LYS CB C 13 32.262 0.40 . 1 . . . A 672 LYS CB . 19229 1 250 . 1 1 29 29 LYS CG C 13 25.284 0.40 . 1 . . . A 672 LYS CG . 19229 1 251 . 1 1 29 29 LYS CD C 13 29.213 0.40 . 1 . . . A 672 LYS CD . 19229 1 252 . 1 1 29 29 LYS CE C 13 41.302 0.40 . 1 . . . A 672 LYS CE . 19229 1 253 . 1 1 29 29 LYS N N 15 122.196 0.40 . 1 . . . A 672 LYS N . 19229 1 254 . 1 1 30 30 PRO HA H 1 4.398 0.04 . 1 . . . A 673 PRO HA . 19229 1 255 . 1 1 30 30 PRO HB2 H 1 1.818 0.04 . 2 . . . A 673 PRO HB2 . 19229 1 256 . 1 1 30 30 PRO HB3 H 1 2.407 0.04 . 2 . . . A 673 PRO HB3 . 19229 1 257 . 1 1 30 30 PRO HG2 H 1 1.999 0.04 . 2 . . . A 673 PRO HG2 . 19229 1 258 . 1 1 30 30 PRO HG3 H 1 2.120 0.04 . 2 . . . A 673 PRO HG3 . 19229 1 259 . 1 1 30 30 PRO HD2 H 1 3.961 0.04 . 2 . . . A 673 PRO HD2 . 19229 1 260 . 1 1 30 30 PRO HD3 H 1 3.706 0.04 . 2 . . . A 673 PRO HD3 . 19229 1 261 . 1 1 30 30 PRO C C 13 177.204 0.40 . 1 . . . A 673 PRO C . 19229 1 262 . 1 1 30 30 PRO CA C 13 63.964 0.40 . 1 . . . A 673 PRO CA . 19229 1 263 . 1 1 30 30 PRO CB C 13 32.538 0.40 . 1 . . . A 673 PRO CB . 19229 1 264 . 1 1 30 30 PRO CG C 13 27.723 0.40 . 1 . . . A 673 PRO CG . 19229 1 265 . 1 1 30 30 PRO CD C 13 50.972 0.40 . 1 . . . A 673 PRO CD . 19229 1 266 . 1 1 31 31 ARG H H 1 8.982 0.04 . 1 . . . A 674 ARG H . 19229 1 267 . 1 1 31 31 ARG HA H 1 5.488 0.04 . 1 . . . A 674 ARG HA . 19229 1 268 . 1 1 31 31 ARG HB2 H 1 2.207 0.04 . 2 . . . A 674 ARG HB2 . 19229 1 269 . 1 1 31 31 ARG HB3 H 1 1.860 0.04 . 2 . . . A 674 ARG HB3 . 19229 1 270 . 1 1 31 31 ARG HG2 H 1 1.979 0.04 . 2 . . . A 674 ARG HG2 . 19229 1 271 . 1 1 31 31 ARG HG3 H 1 1.490 0.04 . 2 . . . A 674 ARG HG3 . 19229 1 272 . 1 1 31 31 ARG HD2 H 1 2.796 0.04 . 2 . . . A 674 ARG HD2 . 19229 1 273 . 1 1 31 31 ARG HD3 H 1 2.774 0.04 . 2 . . . A 674 ARG HD3 . 19229 1 274 . 1 1 31 31 ARG C C 13 174.473 0.40 . 1 . . . A 674 ARG C . 19229 1 275 . 1 1 31 31 ARG CA C 13 54.984 0.40 . 1 . . . A 674 ARG CA . 19229 1 276 . 1 1 31 31 ARG CB C 13 35.552 0.40 . 1 . . . A 674 ARG CB . 19229 1 277 . 1 1 31 31 ARG CG C 13 27.587 0.40 . 1 . . . A 674 ARG CG . 19229 1 278 . 1 1 31 31 ARG CD C 13 43.981 0.40 . 1 . . . A 674 ARG CD . 19229 1 279 . 1 1 31 31 ARG N N 15 123.076 0.40 . 1 . . . A 674 ARG N . 19229 1 280 . 1 1 32 32 VAL H H 1 9.109 0.04 . 1 . . . A 675 VAL H . 19229 1 281 . 1 1 32 32 VAL HA H 1 4.450 0.04 . 1 . . . A 675 VAL HA . 19229 1 282 . 1 1 32 32 VAL HB H 1 1.250 0.04 . 1 . . . A 675 VAL HB . 19229 1 283 . 1 1 32 32 VAL HG11 H 1 -0.264 0.04 . 2 . . . A 675 VAL HG11 . 19229 1 284 . 1 1 32 32 VAL HG12 H 1 -0.264 0.04 . 2 . . . A 675 VAL HG12 . 19229 1 285 . 1 1 32 32 VAL HG13 H 1 -0.264 0.04 . 2 . . . A 675 VAL HG13 . 19229 1 286 . 1 1 32 32 VAL HG21 H 1 -0.050 0.04 . 2 . . . A 675 VAL HG21 . 19229 1 287 . 1 1 32 32 VAL HG22 H 1 -0.050 0.04 . 2 . . . A 675 VAL HG22 . 19229 1 288 . 1 1 32 32 VAL HG23 H 1 -0.050 0.04 . 2 . . . A 675 VAL HG23 . 19229 1 289 . 1 1 32 32 VAL C C 13 171.342 0.40 . 1 . . . A 675 VAL C . 19229 1 290 . 1 1 32 32 VAL CA C 13 59.526 0.40 . 1 . . . A 675 VAL CA . 19229 1 291 . 1 1 32 32 VAL CB C 13 35.310 0.40 . 1 . . . A 675 VAL CB . 19229 1 292 . 1 1 32 32 VAL CG1 C 13 19.286 0.40 . 2 . . . A 675 VAL CG1 . 19229 1 293 . 1 1 32 32 VAL CG2 C 13 19.519 0.40 . 2 . . . A 675 VAL CG2 . 19229 1 294 . 1 1 32 32 VAL N N 15 116.941 0.40 . 1 . . . A 675 VAL N . 19229 1 295 . 1 1 33 33 GLN H H 1 7.755 0.04 . 1 . . . A 676 GLN H . 19229 1 296 . 1 1 33 33 GLN HA H 1 4.053 0.04 . 1 . . . A 676 GLN HA . 19229 1 297 . 1 1 33 33 GLN HB2 H 1 2.544 0.04 . 2 . . . A 676 GLN HB2 . 19229 1 298 . 1 1 33 33 GLN HB3 H 1 0.833 0.04 . 2 . . . A 676 GLN HB3 . 19229 1 299 . 1 1 33 33 GLN HG2 H 1 2.750 0.04 . 2 . . . A 676 GLN HG2 . 19229 1 300 . 1 1 33 33 GLN HG3 H 1 1.311 0.04 . 2 . . . A 676 GLN HG3 . 19229 1 301 . 1 1 33 33 GLN HE21 H 1 7.312 0.04 . 2 . . . A 676 GLN HE21 . 19229 1 302 . 1 1 33 33 GLN HE22 H 1 7.157 0.04 . 2 . . . A 676 GLN HE22 . 19229 1 303 . 1 1 33 33 GLN C C 13 174.910 0.40 . 1 . . . A 676 GLN C . 19229 1 304 . 1 1 33 33 GLN CA C 13 53.209 0.40 . 1 . . . A 676 GLN CA . 19229 1 305 . 1 1 33 33 GLN CB C 13 29.100 0.40 . 1 . . . A 676 GLN CB . 19229 1 306 . 1 1 33 33 GLN CG C 13 32.599 0.40 . 1 . . . A 676 GLN CG . 19229 1 307 . 1 1 33 33 GLN N N 15 126.293 0.40 . 1 . . . A 676 GLN N . 19229 1 308 . 1 1 33 33 GLN NE2 N 15 112.417 0.40 . 1 . . . A 676 GLN NE2 . 19229 1 309 . 1 1 34 34 CYS H H 1 8.366 0.04 . 1 . . . A 677 CYS H . 19229 1 310 . 1 1 34 34 CYS HA H 1 4.073 0.04 . 1 . . . A 677 CYS HA . 19229 1 311 . 1 1 34 34 CYS HB2 H 1 3.092 0.04 . 2 . . . A 677 CYS HB2 . 19229 1 312 . 1 1 34 34 CYS HB3 H 1 2.559 0.04 . 2 . . . A 677 CYS HB3 . 19229 1 313 . 1 1 34 34 CYS C C 13 177.471 0.40 . 1 . . . A 677 CYS C . 19229 1 314 . 1 1 34 34 CYS CA C 13 59.449 0.40 . 1 . . . A 677 CYS CA . 19229 1 315 . 1 1 34 34 CYS CB C 13 30.727 0.40 . 1 . . . A 677 CYS CB . 19229 1 316 . 1 1 34 34 CYS N N 15 128.217 0.40 . 1 . . . A 677 CYS N . 19229 1 317 . 1 1 35 35 LEU H H 1 8.304 0.04 . 1 . . . A 678 LEU H . 19229 1 318 . 1 1 35 35 LEU HA H 1 3.838 0.04 . 1 . . . A 678 LEU HA . 19229 1 319 . 1 1 35 35 LEU HB2 H 1 1.199 0.04 . 2 . . . A 678 LEU HB2 . 19229 1 320 . 1 1 35 35 LEU HB3 H 1 1.270 0.04 . 2 . . . A 678 LEU HB3 . 19229 1 321 . 1 1 35 35 LEU HG H 1 1.180 0.04 . 1 . . . A 678 LEU HG . 19229 1 322 . 1 1 35 35 LEU HD11 H 1 0.701 0.04 . 2 . . . A 678 LEU HD11 . 19229 1 323 . 1 1 35 35 LEU HD12 H 1 0.701 0.04 . 2 . . . A 678 LEU HD12 . 19229 1 324 . 1 1 35 35 LEU HD13 H 1 0.701 0.04 . 2 . . . A 678 LEU HD13 . 19229 1 325 . 1 1 35 35 LEU HD21 H 1 0.730 0.04 . 2 . . . A 678 LEU HD21 . 19229 1 326 . 1 1 35 35 LEU HD22 H 1 0.730 0.04 . 2 . . . A 678 LEU HD22 . 19229 1 327 . 1 1 35 35 LEU HD23 H 1 0.730 0.04 . 2 . . . A 678 LEU HD23 . 19229 1 328 . 1 1 35 35 LEU C C 13 176.718 0.40 . 1 . . . A 678 LEU C . 19229 1 329 . 1 1 35 35 LEU CA C 13 56.849 0.40 . 1 . . . A 678 LEU CA . 19229 1 330 . 1 1 35 35 LEU CB C 13 42.054 0.40 . 1 . . . A 678 LEU CB . 19229 1 331 . 1 1 35 35 LEU CG C 13 29.149 0.40 . 1 . . . A 678 LEU CG . 19229 1 332 . 1 1 35 35 LEU CD1 C 13 23.604 0.40 . 2 . . . A 678 LEU CD1 . 19229 1 333 . 1 1 35 35 LEU CD2 C 13 25.177 0.40 . 2 . . . A 678 LEU CD2 . 19229 1 334 . 1 1 35 35 LEU N N 15 131.279 0.40 . 1 . . . A 678 LEU N . 19229 1 335 . 1 1 36 36 LYS H H 1 8.752 0.04 . 1 . . . A 679 LYS H . 19229 1 336 . 1 1 36 36 LYS HA H 1 4.335 0.04 . 1 . . . A 679 LYS HA . 19229 1 337 . 1 1 36 36 LYS HB2 H 1 1.637 0.04 . 2 . . . A 679 LYS HB2 . 19229 1 338 . 1 1 36 36 LYS HB3 H 1 1.630 0.04 . 2 . . . A 679 LYS HB3 . 19229 1 339 . 1 1 36 36 LYS HG2 H 1 1.268 0.04 . 2 . . . A 679 LYS HG2 . 19229 1 340 . 1 1 36 36 LYS HG3 H 1 1.212 0.04 . 2 . . . A 679 LYS HG3 . 19229 1 341 . 1 1 36 36 LYS HD2 H 1 1.556 0.04 . 2 . . . A 679 LYS HD2 . 19229 1 342 . 1 1 36 36 LYS HD3 H 1 1.549 0.04 . 2 . . . A 679 LYS HD3 . 19229 1 343 . 1 1 36 36 LYS HE2 H 1 2.893 0.04 . 2 . . . A 679 LYS HE2 . 19229 1 344 . 1 1 36 36 LYS HE3 H 1 2.770 0.04 . 2 . . . A 679 LYS HE3 . 19229 1 345 . 1 1 36 36 LYS C C 13 176.160 0.40 . 1 . . . A 679 LYS C . 19229 1 346 . 1 1 36 36 LYS CA C 13 57.986 0.40 . 1 . . . A 679 LYS CA . 19229 1 347 . 1 1 36 36 LYS CB C 13 33.037 0.40 . 1 . . . A 679 LYS CB . 19229 1 348 . 1 1 36 36 LYS CG C 13 25.352 0.40 . 1 . . . A 679 LYS CG . 19229 1 349 . 1 1 36 36 LYS CD C 13 28.536 0.40 . 1 . . . A 679 LYS CD . 19229 1 350 . 1 1 36 36 LYS CE C 13 41.948 0.40 . 1 . . . A 679 LYS CE . 19229 1 351 . 1 1 36 36 LYS N N 15 120.707 0.40 . 1 . . . A 679 LYS N . 19229 1 352 . 1 1 37 37 CYS H H 1 8.230 0.04 . 1 . . . A 680 CYS H . 19229 1 353 . 1 1 37 37 CYS HA H 1 4.466 0.04 . 1 . . . A 680 CYS HA . 19229 1 354 . 1 1 37 37 CYS HB2 H 1 2.979 0.04 . 2 . . . A 680 CYS HB2 . 19229 1 355 . 1 1 37 37 CYS HB3 H 1 2.408 0.04 . 2 . . . A 680 CYS HB3 . 19229 1 356 . 1 1 37 37 CYS C C 13 176.306 0.40 . 1 . . . A 680 CYS C . 19229 1 357 . 1 1 37 37 CYS CA C 13 59.174 0.40 . 1 . . . A 680 CYS CA . 19229 1 358 . 1 1 37 37 CYS CB C 13 31.346 0.40 . 1 . . . A 680 CYS CB . 19229 1 359 . 1 1 37 37 CYS N N 15 118.211 0.40 . 1 . . . A 680 CYS N . 19229 1 360 . 1 1 38 38 HIS H H 1 7.149 0.04 . 1 . . . A 681 HIS H . 19229 1 361 . 1 1 38 38 HIS HA H 1 4.204 0.04 . 1 . . . A 681 HIS HA . 19229 1 362 . 1 1 38 38 HIS HB2 H 1 3.088 0.04 . 2 . . . A 681 HIS HB2 . 19229 1 363 . 1 1 38 38 HIS HB3 H 1 3.471 0.04 . 2 . . . A 681 HIS HB3 . 19229 1 364 . 1 1 38 38 HIS C C 13 173.478 0.40 . 1 . . . A 681 HIS C . 19229 1 365 . 1 1 38 38 HIS CA C 13 56.990 0.40 . 1 . . . A 681 HIS CA . 19229 1 366 . 1 1 38 38 HIS CB C 13 26.556 0.40 . 1 . . . A 681 HIS CB . 19229 1 367 . 1 1 38 38 HIS N N 15 113.392 0.40 . 1 . . . A 681 HIS N . 19229 1 368 . 1 1 39 39 LEU H H 1 8.172 0.04 . 1 . . . A 682 LEU H . 19229 1 369 . 1 1 39 39 LEU HA H 1 4.295 0.04 . 1 . . . A 682 LEU HA . 19229 1 370 . 1 1 39 39 LEU HB2 H 1 1.798 0.04 . 2 . . . A 682 LEU HB2 . 19229 1 371 . 1 1 39 39 LEU HB3 H 1 1.359 0.04 . 2 . . . A 682 LEU HB3 . 19229 1 372 . 1 1 39 39 LEU HG H 1 1.591 0.04 . 1 . . . A 682 LEU HG . 19229 1 373 . 1 1 39 39 LEU HD11 H 1 0.799 0.04 . 2 . . . A 682 LEU HD11 . 19229 1 374 . 1 1 39 39 LEU HD12 H 1 0.799 0.04 . 2 . . . A 682 LEU HD12 . 19229 1 375 . 1 1 39 39 LEU HD13 H 1 0.799 0.04 . 2 . . . A 682 LEU HD13 . 19229 1 376 . 1 1 39 39 LEU HD21 H 1 0.764 0.04 . 2 . . . A 682 LEU HD21 . 19229 1 377 . 1 1 39 39 LEU HD22 H 1 0.764 0.04 . 2 . . . A 682 LEU HD22 . 19229 1 378 . 1 1 39 39 LEU HD23 H 1 0.764 0.04 . 2 . . . A 682 LEU HD23 . 19229 1 379 . 1 1 39 39 LEU C C 13 176.670 0.40 . 1 . . . A 682 LEU C . 19229 1 380 . 1 1 39 39 LEU CA C 13 56.227 0.40 . 1 . . . A 682 LEU CA . 19229 1 381 . 1 1 39 39 LEU CB C 13 44.035 0.40 . 1 . . . A 682 LEU CB . 19229 1 382 . 1 1 39 39 LEU CG C 13 27.005 0.40 . 1 . . . A 682 LEU CG . 19229 1 383 . 1 1 39 39 LEU CD1 C 13 25.224 0.40 . 2 . . . A 682 LEU CD1 . 19229 1 384 . 1 1 39 39 LEU CD2 C 13 24.501 0.40 . 2 . . . A 682 LEU CD2 . 19229 1 385 . 1 1 39 39 LEU N N 15 124.066 0.40 . 1 . . . A 682 LEU N . 19229 1 386 . 1 1 40 40 TRP H H 1 8.666 0.04 . 1 . . . A 683 TRP H . 19229 1 387 . 1 1 40 40 TRP HA H 1 5.091 0.04 . 1 . . . A 683 TRP HA . 19229 1 388 . 1 1 40 40 TRP HB2 H 1 3.066 0.04 . 2 . . . A 683 TRP HB2 . 19229 1 389 . 1 1 40 40 TRP HB3 H 1 2.991 0.04 . 2 . . . A 683 TRP HB3 . 19229 1 390 . 1 1 40 40 TRP HD1 H 1 7.022 0.04 . 1 . . . A 683 TRP HD1 . 19229 1 391 . 1 1 40 40 TRP HE1 H 1 10.143 0.04 . 1 . . . A 683 TRP HE1 . 19229 1 392 . 1 1 40 40 TRP HE3 H 1 7.130 0.04 . 1 . . . A 683 TRP HE3 . 19229 1 393 . 1 1 40 40 TRP HZ2 H 1 7.321 0.04 . 1 . . . A 683 TRP HZ2 . 19229 1 394 . 1 1 40 40 TRP HZ3 H 1 6.827 0.04 . 1 . . . A 683 TRP HZ3 . 19229 1 395 . 1 1 40 40 TRP HH2 H 1 7.073 0.04 . 1 . . . A 683 TRP HH2 . 19229 1 396 . 1 1 40 40 TRP C C 13 174.133 0.40 . 1 . . . A 683 TRP C . 19229 1 397 . 1 1 40 40 TRP CA C 13 56.723 0.40 . 1 . . . A 683 TRP CA . 19229 1 398 . 1 1 40 40 TRP CB C 13 31.814 0.40 . 1 . . . A 683 TRP CB . 19229 1 399 . 1 1 40 40 TRP CD1 C 13 129.235 0.40 . 1 . . . A 683 TRP CD1 . 19229 1 400 . 1 1 40 40 TRP CE3 C 13 120.012 0.40 . 1 . . . A 683 TRP CE3 . 19229 1 401 . 1 1 40 40 TRP CZ2 C 13 115.306 0.40 . 1 . . . A 683 TRP CZ2 . 19229 1 402 . 1 1 40 40 TRP CZ3 C 13 121.592 0.40 . 1 . . . A 683 TRP CZ3 . 19229 1 403 . 1 1 40 40 TRP CH2 C 13 124.434 0.40 . 1 . . . A 683 TRP CH2 . 19229 1 404 . 1 1 40 40 TRP N N 15 124.208 0.40 . 1 . . . A 683 TRP N . 19229 1 405 . 1 1 40 40 TRP NE1 N 15 131.386 0.40 . 1 . . . A 683 TRP NE1 . 19229 1 406 . 1 1 41 41 GLN H H 1 8.655 0.04 . 1 . . . A 684 GLN H . 19229 1 407 . 1 1 41 41 GLN HA H 1 3.965 0.04 . 1 . . . A 684 GLN HA . 19229 1 408 . 1 1 41 41 GLN HB2 H 1 1.934 0.04 . 2 . . . A 684 GLN HB2 . 19229 1 409 . 1 1 41 41 GLN HB3 H 1 1.711 0.04 . 2 . . . A 684 GLN HB3 . 19229 1 410 . 1 1 41 41 GLN HG2 H 1 1.937 0.04 . 2 . . . A 684 GLN HG2 . 19229 1 411 . 1 1 41 41 GLN HG3 H 1 2.178 0.04 . 2 . . . A 684 GLN HG3 . 19229 1 412 . 1 1 41 41 GLN HE21 H 1 6.749 0.04 . 2 . . . A 684 GLN HE21 . 19229 1 413 . 1 1 41 41 GLN HE22 H 1 7.522 0.04 . 2 . . . A 684 GLN HE22 . 19229 1 414 . 1 1 41 41 GLN C C 13 176.002 0.40 . 1 . . . A 684 GLN C . 19229 1 415 . 1 1 41 41 GLN CA C 13 54.595 0.40 . 1 . . . A 684 GLN CA . 19229 1 416 . 1 1 41 41 GLN CB C 13 32.755 0.40 . 1 . . . A 684 GLN CB . 19229 1 417 . 1 1 41 41 GLN CG C 13 33.884 0.40 . 1 . . . A 684 GLN CG . 19229 1 418 . 1 1 41 41 GLN N N 15 114.943 0.40 . 1 . . . A 684 GLN N . 19229 1 419 . 1 1 41 41 GLN NE2 N 15 112.346 0.40 . 1 . . . A 684 GLN NE2 . 19229 1 420 . 1 1 42 42 HIS H H 1 9.487 0.04 . 1 . . . A 685 HIS H . 19229 1 421 . 1 1 42 42 HIS HA H 1 5.011 0.04 . 1 . . . A 685 HIS HA . 19229 1 422 . 1 1 42 42 HIS HB2 H 1 4.112 0.04 . 2 . . . A 685 HIS HB2 . 19229 1 423 . 1 1 42 42 HIS HB3 H 1 3.417 0.04 . 2 . . . A 685 HIS HB3 . 19229 1 424 . 1 1 42 42 HIS C C 13 175.990 0.40 . 1 . . . A 685 HIS C . 19229 1 425 . 1 1 42 42 HIS CA C 13 58.024 0.40 . 1 . . . A 685 HIS CA . 19229 1 426 . 1 1 42 42 HIS CB C 13 31.454 0.40 . 1 . . . A 685 HIS CB . 19229 1 427 . 1 1 42 42 HIS N N 15 121.485 0.40 . 1 . . . A 685 HIS N . 19229 1 428 . 1 1 43 43 ALA H H 1 8.436 0.04 . 1 . . . A 686 ALA H . 19229 1 429 . 1 1 43 43 ALA HA H 1 3.702 0.04 . 1 . . . A 686 ALA HA . 19229 1 430 . 1 1 43 43 ALA HB1 H 1 1.353 0.04 . 1 . . . A 686 ALA HB1 . 19229 1 431 . 1 1 43 43 ALA HB2 H 1 1.353 0.04 . 1 . . . A 686 ALA HB2 . 19229 1 432 . 1 1 43 43 ALA HB3 H 1 1.353 0.04 . 1 . . . A 686 ALA HB3 . 19229 1 433 . 1 1 43 43 ALA C C 13 179.000 0.40 . 1 . . . A 686 ALA C . 19229 1 434 . 1 1 43 43 ALA CA C 13 55.158 0.40 . 1 . . . A 686 ALA CA . 19229 1 435 . 1 1 43 43 ALA CB C 13 17.858 0.40 . 1 . . . A 686 ALA CB . 19229 1 436 . 1 1 43 43 ALA N N 15 125.728 0.40 . 1 . . . A 686 ALA N . 19229 1 437 . 1 1 44 44 LYS H H 1 9.407 0.04 . 1 . . . A 687 LYS H . 19229 1 438 . 1 1 44 44 LYS HA H 1 4.124 0.04 . 1 . . . A 687 LYS HA . 19229 1 439 . 1 1 44 44 LYS HB2 H 1 1.871 0.04 . 2 . . . A 687 LYS HB2 . 19229 1 440 . 1 1 44 44 LYS HB3 H 1 1.713 0.04 . 2 . . . A 687 LYS HB3 . 19229 1 441 . 1 1 44 44 LYS HG2 H 1 1.410 0.04 . 2 . . . A 687 LYS HG2 . 19229 1 442 . 1 1 44 44 LYS HG3 H 1 1.387 0.04 . 2 . . . A 687 LYS HG3 . 19229 1 443 . 1 1 44 44 LYS HD2 H 1 1.653 0.04 . 2 . . . A 687 LYS HD2 . 19229 1 444 . 1 1 44 44 LYS HD3 H 1 1.583 0.04 . 2 . . . A 687 LYS HD3 . 19229 1 445 . 1 1 44 44 LYS HE2 H 1 2.888 0.04 . 2 . . . A 687 LYS HE2 . 19229 1 446 . 1 1 44 44 LYS HE3 H 1 2.775 0.04 . 2 . . . A 687 LYS HE3 . 19229 1 447 . 1 1 44 44 LYS C C 13 180.129 0.40 . 1 . . . A 687 LYS C . 19229 1 448 . 1 1 44 44 LYS CA C 13 58.681 0.40 . 1 . . . A 687 LYS CA . 19229 1 449 . 1 1 44 44 LYS CB C 13 32.262 0.40 . 1 . . . A 687 LYS CB . 19229 1 450 . 1 1 44 44 LYS CG C 13 24.810 0.40 . 1 . . . A 687 LYS CG . 19229 1 451 . 1 1 44 44 LYS CD C 13 28.807 0.40 . 1 . . . A 687 LYS CD . 19229 1 452 . 1 1 44 44 LYS CE C 13 42.206 0.40 . 1 . . . A 687 LYS CE . 19229 1 453 . 1 1 44 44 LYS N N 15 116.216 0.40 . 1 . . . A 687 LYS N . 19229 1 454 . 1 1 45 45 CYS H H 1 6.702 0.04 . 1 . . . A 688 CYS H . 19229 1 455 . 1 1 45 45 CYS HA H 1 3.929 0.04 . 1 . . . A 688 CYS HA . 19229 1 456 . 1 1 45 45 CYS HB2 H 1 2.998 0.04 . 2 . . . A 688 CYS HB2 . 19229 1 457 . 1 1 45 45 CYS HB3 H 1 2.827 0.04 . 2 . . . A 688 CYS HB3 . 19229 1 458 . 1 1 45 45 CYS C C 13 176.439 0.40 . 1 . . . A 688 CYS C . 19229 1 459 . 1 1 45 45 CYS CA C 13 62.584 0.40 . 1 . . . A 688 CYS CA . 19229 1 460 . 1 1 45 45 CYS CB C 13 30.149 0.40 . 1 . . . A 688 CYS CB . 19229 1 461 . 1 1 45 45 CYS N N 15 117.136 0.40 . 1 . . . A 688 CYS N . 19229 1 462 . 1 1 46 46 VAL H H 1 6.932 0.04 . 1 . . . A 689 VAL H . 19229 1 463 . 1 1 46 46 VAL HA H 1 4.414 0.04 . 1 . . . A 689 VAL HA . 19229 1 464 . 1 1 46 46 VAL HB H 1 2.552 0.04 . 1 . . . A 689 VAL HB . 19229 1 465 . 1 1 46 46 VAL HG11 H 1 0.868 0.04 . 2 . . . A 689 VAL HG11 . 19229 1 466 . 1 1 46 46 VAL HG12 H 1 0.868 0.04 . 2 . . . A 689 VAL HG12 . 19229 1 467 . 1 1 46 46 VAL HG13 H 1 0.868 0.04 . 2 . . . A 689 VAL HG13 . 19229 1 468 . 1 1 46 46 VAL HG21 H 1 0.612 0.04 . 2 . . . A 689 VAL HG21 . 19229 1 469 . 1 1 46 46 VAL HG22 H 1 0.612 0.04 . 2 . . . A 689 VAL HG22 . 19229 1 470 . 1 1 46 46 VAL HG23 H 1 0.612 0.04 . 2 . . . A 689 VAL HG23 . 19229 1 471 . 1 1 46 46 VAL C C 13 175.007 0.40 . 1 . . . A 689 VAL C . 19229 1 472 . 1 1 46 46 VAL CA C 13 60.160 0.40 . 1 . . . A 689 VAL CA . 19229 1 473 . 1 1 46 46 VAL CB C 13 30.924 0.40 . 1 . . . A 689 VAL CB . 19229 1 474 . 1 1 46 46 VAL CG1 C 13 21.620 0.40 . 2 . . . A 689 VAL CG1 . 19229 1 475 . 1 1 46 46 VAL CG2 C 13 18.646 0.40 . 2 . . . A 689 VAL CG2 . 19229 1 476 . 1 1 46 46 VAL N N 15 106.705 0.40 . 1 . . . A 689 VAL N . 19229 1 477 . 1 1 47 47 ASN H H 1 7.770 0.04 . 1 . . . A 690 ASN H . 19229 1 478 . 1 1 47 47 ASN HA H 1 4.266 0.04 . 1 . . . A 690 ASN HA . 19229 1 479 . 1 1 47 47 ASN HB2 H 1 2.701 0.04 . 2 . . . A 690 ASN HB2 . 19229 1 480 . 1 1 47 47 ASN HB3 H 1 3.036 0.04 . 2 . . . A 690 ASN HB3 . 19229 1 481 . 1 1 47 47 ASN HD21 H 1 6.916 0.04 . 2 . . . A 690 ASN HD21 . 19229 1 482 . 1 1 47 47 ASN HD22 H 1 6.759 0.04 . 2 . . . A 690 ASN HD22 . 19229 1 483 . 1 1 47 47 ASN C C 13 173.405 0.40 . 1 . . . A 690 ASN C . 19229 1 484 . 1 1 47 47 ASN CA C 13 54.147 0.40 . 1 . . . A 690 ASN CA . 19229 1 485 . 1 1 47 47 ASN CB C 13 37.094 0.40 . 1 . . . A 690 ASN CB . 19229 1 486 . 1 1 47 47 ASN N N 15 117.807 0.40 . 1 . . . A 690 ASN N . 19229 1 487 . 1 1 47 47 ASN ND2 N 15 111.373 0.40 . 1 . . . A 690 ASN ND2 . 19229 1 488 . 1 1 48 48 TYR H H 1 8.271 0.04 . 1 . . . A 691 TYR H . 19229 1 489 . 1 1 48 48 TYR HA H 1 4.440 0.04 . 1 . . . A 691 TYR HA . 19229 1 490 . 1 1 48 48 TYR HB2 H 1 2.565 0.04 . 2 . . . A 691 TYR HB2 . 19229 1 491 . 1 1 48 48 TYR HB3 H 1 2.421 0.04 . 2 . . . A 691 TYR HB3 . 19229 1 492 . 1 1 48 48 TYR HD1 H 1 6.844 0.04 . 3 . . . A 691 TYR HD1 . 19229 1 493 . 1 1 48 48 TYR HD2 H 1 6.844 0.04 . 3 . . . A 691 TYR HD2 . 19229 1 494 . 1 1 48 48 TYR HE1 H 1 6.643 0.04 . 3 . . . A 691 TYR HE1 . 19229 1 495 . 1 1 48 48 TYR HE2 H 1 6.643 0.04 . 3 . . . A 691 TYR HE2 . 19229 1 496 . 1 1 48 48 TYR C C 13 174.073 0.40 . 1 . . . A 691 TYR C . 19229 1 497 . 1 1 48 48 TYR CA C 13 57.695 0.40 . 1 . . . A 691 TYR CA . 19229 1 498 . 1 1 48 48 TYR CB C 13 40.575 0.40 . 1 . . . A 691 TYR CB . 19229 1 499 . 1 1 48 48 TYR CD1 C 13 132.920 0.40 . 3 . . . A 691 TYR CD1 . 19229 1 500 . 1 1 48 48 TYR CE1 C 13 118.473 0.40 . 3 . . . A 691 TYR CE1 . 19229 1 501 . 1 1 48 48 TYR N N 15 120.010 0.40 . 1 . . . A 691 TYR N . 19229 1 502 . 1 1 49 49 ASP H H 1 7.799 0.04 . 1 . . . A 692 ASP H . 19229 1 503 . 1 1 49 49 ASP HA H 1 4.365 0.04 . 1 . . . A 692 ASP HA . 19229 1 504 . 1 1 49 49 ASP HB2 H 1 2.517 0.04 . 2 . . . A 692 ASP HB2 . 19229 1 505 . 1 1 49 49 ASP HB3 H 1 2.303 0.04 . 2 . . . A 692 ASP HB3 . 19229 1 506 . 1 1 49 49 ASP C C 13 175.663 0.40 . 1 . . . A 692 ASP C . 19229 1 507 . 1 1 49 49 ASP CA C 13 52.834 0.40 . 1 . . . A 692 ASP CA . 19229 1 508 . 1 1 49 49 ASP CB C 13 41.374 0.40 . 1 . . . A 692 ASP CB . 19229 1 509 . 1 1 49 49 ASP N N 15 126.612 0.40 . 1 . . . A 692 ASP N . 19229 1 510 . 1 1 50 50 GLU H H 1 8.792 0.04 . 1 . . . A 693 GLU H . 19229 1 511 . 1 1 50 50 GLU HA H 1 3.924 0.04 . 1 . . . A 693 GLU HA . 19229 1 512 . 1 1 50 50 GLU HB2 H 1 2.015 0.04 . 2 . . . A 693 GLU HB2 . 19229 1 513 . 1 1 50 50 GLU HB3 H 1 1.971 0.04 . 2 . . . A 693 GLU HB3 . 19229 1 514 . 1 1 50 50 GLU HG2 H 1 2.235 0.04 . 2 . . . A 693 GLU HG2 . 19229 1 515 . 1 1 50 50 GLU HG3 H 1 2.127 0.04 . 2 . . . A 693 GLU HG3 . 19229 1 516 . 1 1 50 50 GLU C C 13 177.119 0.40 . 1 . . . A 693 GLU C . 19229 1 517 . 1 1 50 50 GLU CA C 13 58.188 0.40 . 1 . . . A 693 GLU CA . 19229 1 518 . 1 1 50 50 GLU CB C 13 29.097 0.40 . 1 . . . A 693 GLU CB . 19229 1 519 . 1 1 50 50 GLU CG C 13 36.055 0.40 . 1 . . . A 693 GLU CG . 19229 1 520 . 1 1 50 50 GLU N N 15 125.198 0.40 . 1 . . . A 693 GLU N . 19229 1 521 . 1 1 51 51 LYS H H 1 8.294 0.04 . 1 . . . A 694 LYS H . 19229 1 522 . 1 1 51 51 LYS HA H 1 4.070 0.04 . 1 . . . A 694 LYS HA . 19229 1 523 . 1 1 51 51 LYS HB2 H 1 1.733 0.04 . 2 . . . A 694 LYS HB2 . 19229 1 524 . 1 1 51 51 LYS HB3 H 1 1.696 0.04 . 2 . . . A 694 LYS HB3 . 19229 1 525 . 1 1 51 51 LYS HG2 H 1 1.426 0.04 . 2 . . . A 694 LYS HG2 . 19229 1 526 . 1 1 51 51 LYS HG3 H 1 1.482 0.04 . 2 . . . A 694 LYS HG3 . 19229 1 527 . 1 1 51 51 LYS HD2 H 1 1.601 0.04 . 2 . . . A 694 LYS HD2 . 19229 1 528 . 1 1 51 51 LYS HD3 H 1 1.699 0.04 . 2 . . . A 694 LYS HD3 . 19229 1 529 . 1 1 51 51 LYS HE2 H 1 3.074 0.04 . 2 . . . A 694 LYS HE2 . 19229 1 530 . 1 1 51 51 LYS HE3 H 1 2.890 0.04 . 2 . . . A 694 LYS HE3 . 19229 1 531 . 1 1 51 51 LYS C C 13 177.168 0.40 . 1 . . . A 694 LYS C . 19229 1 532 . 1 1 51 51 LYS CA C 13 57.554 0.40 . 1 . . . A 694 LYS CA . 19229 1 533 . 1 1 51 51 LYS CB C 13 31.487 0.40 . 1 . . . A 694 LYS CB . 19229 1 534 . 1 1 51 51 LYS CG C 13 24.810 0.40 . 1 . . . A 694 LYS CG . 19229 1 535 . 1 1 51 51 LYS CD C 13 27.044 0.40 . 1 . . . A 694 LYS CD . 19229 1 536 . 1 1 51 51 LYS CE C 13 43.303 0.40 . 1 . . . A 694 LYS CE . 19229 1 537 . 1 1 51 51 LYS N N 15 120.048 0.40 . 1 . . . A 694 LYS N . 19229 1 538 . 1 1 52 52 ASN H H 1 7.809 0.04 . 1 . . . A 695 ASN H . 19229 1 539 . 1 1 52 52 ASN HA H 1 4.610 0.04 . 1 . . . A 695 ASN HA . 19229 1 540 . 1 1 52 52 ASN HB2 H 1 2.760 0.04 . 2 . . . A 695 ASN HB2 . 19229 1 541 . 1 1 52 52 ASN HB3 H 1 2.500 0.04 . 2 . . . A 695 ASN HB3 . 19229 1 542 . 1 1 52 52 ASN HD21 H 1 6.852 0.04 . 2 . . . A 695 ASN HD21 . 19229 1 543 . 1 1 52 52 ASN HD22 H 1 7.521 0.04 . 2 . . . A 695 ASN HD22 . 19229 1 544 . 1 1 52 52 ASN C C 13 175.517 0.40 . 1 . . . A 695 ASN C . 19229 1 545 . 1 1 52 52 ASN CA C 13 52.975 0.40 . 1 . . . A 695 ASN CA . 19229 1 546 . 1 1 52 52 ASN CB C 13 38.673 0.40 . 1 . . . A 695 ASN CB . 19229 1 547 . 1 1 52 52 ASN N N 15 117.271 0.40 . 1 . . . A 695 ASN N . 19229 1 548 . 1 1 52 52 ASN ND2 N 15 112.914 0.40 . 1 . . . A 695 ASN ND2 . 19229 1 549 . 1 1 53 53 LEU H H 1 7.764 0.04 . 1 . . . A 696 LEU H . 19229 1 550 . 1 1 53 53 LEU HA H 1 4.208 0.04 . 1 . . . A 696 LEU HA . 19229 1 551 . 1 1 53 53 LEU HB2 H 1 1.703 0.04 . 2 . . . A 696 LEU HB2 . 19229 1 552 . 1 1 53 53 LEU HB3 H 1 1.543 0.04 . 2 . . . A 696 LEU HB3 . 19229 1 553 . 1 1 53 53 LEU HG H 1 1.518 0.04 . 1 . . . A 696 LEU HG . 19229 1 554 . 1 1 53 53 LEU HD11 H 1 0.942 0.04 . 2 . . . A 696 LEU HD11 . 19229 1 555 . 1 1 53 53 LEU HD12 H 1 0.942 0.04 . 2 . . . A 696 LEU HD12 . 19229 1 556 . 1 1 53 53 LEU HD13 H 1 0.942 0.04 . 2 . . . A 696 LEU HD13 . 19229 1 557 . 1 1 53 53 LEU HD21 H 1 0.897 0.04 . 2 . . . A 696 LEU HD21 . 19229 1 558 . 1 1 53 53 LEU HD22 H 1 0.897 0.04 . 2 . . . A 696 LEU HD22 . 19229 1 559 . 1 1 53 53 LEU HD23 H 1 0.897 0.04 . 2 . . . A 696 LEU HD23 . 19229 1 560 . 1 1 53 53 LEU C C 13 177.823 0.40 . 1 . . . A 696 LEU C . 19229 1 561 . 1 1 53 53 LEU CA C 13 57.202 0.40 . 1 . . . A 696 LEU CA . 19229 1 562 . 1 1 53 53 LEU CB C 13 42.125 0.40 . 1 . . . A 696 LEU CB . 19229 1 563 . 1 1 53 53 LEU CG C 13 27.046 0.40 . 1 . . . A 696 LEU CG . 19229 1 564 . 1 1 53 53 LEU CD1 C 13 25.081 0.40 . 2 . . . A 696 LEU CD1 . 19229 1 565 . 1 1 53 53 LEU CD2 C 13 23.794 0.40 . 2 . . . A 696 LEU CD2 . 19229 1 566 . 1 1 53 53 LEU N N 15 122.015 0.40 . 1 . . . A 696 LEU N . 19229 1 567 . 1 1 54 54 LYS H H 1 8.277 0.04 . 1 . . . A 697 LYS H . 19229 1 568 . 1 1 54 54 LYS HA H 1 4.137 0.04 . 1 . . . A 697 LYS HA . 19229 1 569 . 1 1 54 54 LYS HB2 H 1 1.730 0.04 . 2 . . . A 697 LYS HB2 . 19229 1 570 . 1 1 54 54 LYS HB3 H 1 1.806 0.04 . 2 . . . A 697 LYS HB3 . 19229 1 571 . 1 1 54 54 LYS HG2 H 1 1.387 0.04 . 2 . . . A 697 LYS HG2 . 19229 1 572 . 1 1 54 54 LYS HG3 H 1 1.297 0.04 . 2 . . . A 697 LYS HG3 . 19229 1 573 . 1 1 54 54 LYS HD2 H 1 1.591 0.04 . 2 . . . A 697 LYS HD2 . 19229 1 574 . 1 1 54 54 LYS HD3 H 1 1.615 0.04 . 2 . . . A 697 LYS HD3 . 19229 1 575 . 1 1 54 54 LYS HE2 H 1 2.929 0.04 . 2 . . . A 697 LYS HE2 . 19229 1 576 . 1 1 54 54 LYS HE3 H 1 2.899 0.04 . 2 . . . A 697 LYS HE3 . 19229 1 577 . 1 1 54 54 LYS C C 13 176.536 0.40 . 1 . . . A 697 LYS C . 19229 1 578 . 1 1 54 54 LYS CA C 13 56.957 0.40 . 1 . . . A 697 LYS CA . 19229 1 579 . 1 1 54 54 LYS CB C 13 32.051 0.40 . 1 . . . A 697 LYS CB . 19229 1 580 . 1 1 54 54 LYS CG C 13 25.013 0.40 . 1 . . . A 697 LYS CG . 19229 1 581 . 1 1 54 54 LYS CD C 13 28.875 0.40 . 1 . . . A 697 LYS CD . 19229 1 582 . 1 1 54 54 LYS CE C 13 42.084 0.40 . 1 . . . A 697 LYS CE . 19229 1 583 . 1 1 54 54 LYS N N 15 116.437 0.40 . 1 . . . A 697 LYS N . 19229 1 584 . 1 1 55 55 ILE H H 1 7.650 0.04 . 1 . . . A 698 ILE H . 19229 1 585 . 1 1 55 55 ILE HA H 1 4.067 0.04 . 1 . . . A 698 ILE HA . 19229 1 586 . 1 1 55 55 ILE HB H 1 1.793 0.04 . 1 . . . A 698 ILE HB . 19229 1 587 . 1 1 55 55 ILE HG12 H 1 1.064 0.04 . 2 . . . A 698 ILE HG12 . 19229 1 588 . 1 1 55 55 ILE HG13 H 1 1.366 0.04 . 2 . . . A 698 ILE HG13 . 19229 1 589 . 1 1 55 55 ILE HG21 H 1 0.815 0.04 . 1 . . . A 698 ILE HG21 . 19229 1 590 . 1 1 55 55 ILE HG22 H 1 0.815 0.04 . 1 . . . A 698 ILE HG22 . 19229 1 591 . 1 1 55 55 ILE HG23 H 1 0.815 0.04 . 1 . . . A 698 ILE HG23 . 19229 1 592 . 1 1 55 55 ILE HD11 H 1 0.769 0.04 . 1 . . . A 698 ILE HD11 . 19229 1 593 . 1 1 55 55 ILE HD12 H 1 0.769 0.04 . 1 . . . A 698 ILE HD12 . 19229 1 594 . 1 1 55 55 ILE HD13 H 1 0.769 0.04 . 1 . . . A 698 ILE HD13 . 19229 1 595 . 1 1 55 55 ILE C C 13 175.700 0.40 . 1 . . . A 698 ILE C . 19229 1 596 . 1 1 55 55 ILE CA C 13 61.827 0.40 . 1 . . . A 698 ILE CA . 19229 1 597 . 1 1 55 55 ILE CB C 13 39.166 0.40 . 1 . . . A 698 ILE CB . 19229 1 598 . 1 1 55 55 ILE CG1 C 13 27.321 0.40 . 1 . . . A 698 ILE CG1 . 19229 1 599 . 1 1 55 55 ILE CG2 C 13 17.587 0.40 . 1 . . . A 698 ILE CG2 . 19229 1 600 . 1 1 55 55 ILE CD1 C 13 12.956 0.40 . 1 . . . A 698 ILE CD1 . 19229 1 601 . 1 1 55 55 ILE N N 15 117.807 0.40 . 1 . . . A 698 ILE N . 19229 1 602 . 1 1 56 56 LYS H H 1 8.121 0.04 . 1 . . . A 699 LYS H . 19229 1 603 . 1 1 56 56 LYS HA H 1 4.755 0.04 . 1 . . . A 699 LYS HA . 19229 1 604 . 1 1 56 56 LYS HB2 H 1 1.828 0.04 . 2 . . . A 699 LYS HB2 . 19229 1 605 . 1 1 56 56 LYS HB3 H 1 1.723 0.04 . 2 . . . A 699 LYS HB3 . 19229 1 606 . 1 1 56 56 LYS HG2 H 1 1.297 0.04 . 2 . . . A 699 LYS HG2 . 19229 1 607 . 1 1 56 56 LYS HG3 H 1 1.388 0.04 . 2 . . . A 699 LYS HG3 . 19229 1 608 . 1 1 56 56 LYS HD2 H 1 1.591 0.04 . 2 . . . A 699 LYS HD2 . 19229 1 609 . 1 1 56 56 LYS HD3 H 1 1.639 0.04 . 2 . . . A 699 LYS HD3 . 19229 1 610 . 1 1 56 56 LYS HE2 H 1 2.890 0.04 . 2 . . . A 699 LYS HE2 . 19229 1 611 . 1 1 56 56 LYS HE3 H 1 2.929 0.04 . 2 . . . A 699 LYS HE3 . 19229 1 612 . 1 1 56 56 LYS CA C 13 53.397 0.40 . 1 . . . A 699 LYS CA . 19229 1 613 . 1 1 56 56 LYS CB C 13 33.601 0.40 . 1 . . . A 699 LYS CB . 19229 1 614 . 1 1 56 56 LYS CG C 13 24.607 0.40 . 1 . . . A 699 LYS CG . 19229 1 615 . 1 1 56 56 LYS CD C 13 29.281 0.40 . 1 . . . A 699 LYS CD . 19229 1 616 . 1 1 56 56 LYS CE C 13 42.228 0.40 . 1 . . . A 699 LYS CE . 19229 1 617 . 1 1 56 56 LYS N N 15 123.286 0.40 . 1 . . . A 699 LYS N . 19229 1 618 . 1 1 57 57 PRO HA H 1 4.250 0.04 . 1 . . . A 700 PRO HA . 19229 1 619 . 1 1 57 57 PRO HB2 H 1 1.502 0.04 . 2 . . . A 700 PRO HB2 . 19229 1 620 . 1 1 57 57 PRO HB3 H 1 2.084 0.04 . 2 . . . A 700 PRO HB3 . 19229 1 621 . 1 1 57 57 PRO HG2 H 1 0.703 0.04 . 2 . . . A 700 PRO HG2 . 19229 1 622 . 1 1 57 57 PRO HG3 H 1 1.920 0.04 . 2 . . . A 700 PRO HG3 . 19229 1 623 . 1 1 57 57 PRO HD2 H 1 3.649 0.04 . 2 . . . A 700 PRO HD2 . 19229 1 624 . 1 1 57 57 PRO HD3 H 1 3.753 0.04 . 2 . . . A 700 PRO HD3 . 19229 1 625 . 1 1 57 57 PRO C C 13 175.213 0.40 . 1 . . . A 700 PRO C . 19229 1 626 . 1 1 57 57 PRO CA C 13 62.800 0.40 . 1 . . . A 700 PRO CA . 19229 1 627 . 1 1 57 57 PRO CB C 13 32.722 0.40 . 1 . . . A 700 PRO CB . 19229 1 628 . 1 1 57 57 PRO CG C 13 27.250 0.40 . 1 . . . A 700 PRO CG . 19229 1 629 . 1 1 57 57 PRO CD C 13 50.699 0.40 . 1 . . . A 700 PRO CD . 19229 1 630 . 1 1 58 58 PHE H H 1 8.042 0.04 . 1 . . . A 701 PHE H . 19229 1 631 . 1 1 58 58 PHE HA H 1 4.247 0.04 . 1 . . . A 701 PHE HA . 19229 1 632 . 1 1 58 58 PHE HB2 H 1 2.314 0.04 . 2 . . . A 701 PHE HB2 . 19229 1 633 . 1 1 58 58 PHE HB3 H 1 2.164 0.04 . 2 . . . A 701 PHE HB3 . 19229 1 634 . 1 1 58 58 PHE HD1 H 1 6.627 0.04 . 3 . . . A 701 PHE HD1 . 19229 1 635 . 1 1 58 58 PHE HD2 H 1 6.627 0.04 . 3 . . . A 701 PHE HD2 . 19229 1 636 . 1 1 58 58 PHE HE1 H 1 7.227 0.04 . 3 . . . A 701 PHE HE1 . 19229 1 637 . 1 1 58 58 PHE HE2 H 1 7.227 0.04 . 3 . . . A 701 PHE HE2 . 19229 1 638 . 1 1 58 58 PHE HZ H 1 7.997 0.04 . 1 . . . A 701 PHE HZ . 19229 1 639 . 1 1 58 58 PHE C C 13 171.657 0.40 . 1 . . . A 701 PHE C . 19229 1 640 . 1 1 58 58 PHE CA C 13 58.140 0.40 . 1 . . . A 701 PHE CA . 19229 1 641 . 1 1 58 58 PHE CB C 13 39.448 0.40 . 1 . . . A 701 PHE CB . 19229 1 642 . 1 1 58 58 PHE CD1 C 13 131.538 0.40 . 3 . . . A 701 PHE CD1 . 19229 1 643 . 1 1 58 58 PHE CE1 C 13 131.787 0.40 . 3 . . . A 701 PHE CE1 . 19229 1 644 . 1 1 58 58 PHE CZ C 13 137.536 0.40 . 1 . . . A 701 PHE CZ . 19229 1 645 . 1 1 58 58 PHE N N 15 122.959 0.40 . 1 . . . A 701 PHE N . 19229 1 646 . 1 1 59 59 TYR H H 1 6.754 0.04 . 1 . . . A 702 TYR H . 19229 1 647 . 1 1 59 59 TYR HA H 1 5.030 0.04 . 1 . . . A 702 TYR HA . 19229 1 648 . 1 1 59 59 TYR HB2 H 1 2.395 0.04 . 2 . . . A 702 TYR HB2 . 19229 1 649 . 1 1 59 59 TYR HB3 H 1 2.227 0.04 . 2 . . . A 702 TYR HB3 . 19229 1 650 . 1 1 59 59 TYR HD1 H 1 6.817 0.04 . 3 . . . A 702 TYR HD1 . 19229 1 651 . 1 1 59 59 TYR HD2 H 1 6.817 0.04 . 3 . . . A 702 TYR HD2 . 19229 1 652 . 1 1 59 59 TYR HE1 H 1 6.458 0.04 . 3 . . . A 702 TYR HE1 . 19229 1 653 . 1 1 59 59 TYR HE2 H 1 6.458 0.04 . 3 . . . A 702 TYR HE2 . 19229 1 654 . 1 1 59 59 TYR C C 13 173.915 0.40 . 1 . . . A 702 TYR C . 19229 1 655 . 1 1 59 59 TYR CA C 13 54.806 0.40 . 1 . . . A 702 TYR CA . 19229 1 656 . 1 1 59 59 TYR CB C 13 41.069 0.40 . 1 . . . A 702 TYR CB . 19229 1 657 . 1 1 59 59 TYR CD2 C 13 133.182 0.40 . 3 . . . A 702 TYR CD2 . 19229 1 658 . 1 1 59 59 TYR CE2 C 13 117.549 0.40 . 3 . . . A 702 TYR CE2 . 19229 1 659 . 1 1 59 59 TYR N N 15 123.854 0.40 . 1 . . . A 702 TYR N . 19229 1 660 . 1 1 60 60 CYS H H 1 9.298 0.04 . 1 . . . A 703 CYS H . 19229 1 661 . 1 1 60 60 CYS HA H 1 4.253 0.04 . 1 . . . A 703 CYS HA . 19229 1 662 . 1 1 60 60 CYS HB2 H 1 3.368 0.04 . 2 . . . A 703 CYS HB2 . 19229 1 663 . 1 1 60 60 CYS HB3 H 1 2.544 0.04 . 2 . . . A 703 CYS HB3 . 19229 1 664 . 1 1 60 60 CYS CA C 13 57.300 0.40 . 1 . . . A 703 CYS CA . 19229 1 665 . 1 1 60 60 CYS CB C 13 28.951 0.40 . 1 . . . A 703 CYS CB . 19229 1 666 . 1 1 60 60 CYS N N 15 124.963 0.40 . 1 . . . A 703 CYS N . 19229 1 667 . 1 1 61 61 PRO HA H 1 4.047 0.04 . 1 . . . A 704 PRO HA . 19229 1 668 . 1 1 61 61 PRO HB2 H 1 1.615 0.04 . 2 . . . A 704 PRO HB2 . 19229 1 669 . 1 1 61 61 PRO HB3 H 1 2.273 0.04 . 2 . . . A 704 PRO HB3 . 19229 1 670 . 1 1 61 61 PRO HG2 H 1 1.995 0.04 . 2 . . . A 704 PRO HG2 . 19229 1 671 . 1 1 61 61 PRO HG3 H 1 1.335 0.04 . 2 . . . A 704 PRO HG3 . 19229 1 672 . 1 1 61 61 PRO HD2 H 1 3.835 0.04 . 2 . . . A 704 PRO HD2 . 19229 1 673 . 1 1 61 61 PRO HD3 H 1 3.712 0.04 . 2 . . . A 704 PRO HD3 . 19229 1 674 . 1 1 61 61 PRO C C 13 178.818 0.40 . 1 . . . A 704 PRO C . 19229 1 675 . 1 1 61 61 PRO CA C 13 65.651 0.40 . 1 . . . A 704 PRO CA . 19229 1 676 . 1 1 61 61 PRO CB C 13 31.991 0.40 . 1 . . . A 704 PRO CB . 19229 1 677 . 1 1 61 61 PRO CG C 13 27.835 0.40 . 1 . . . A 704 PRO CG . 19229 1 678 . 1 1 61 61 PRO CD C 13 50.361 0.40 . 1 . . . A 704 PRO CD . 19229 1 679 . 1 1 62 62 HIS H H 1 7.843 0.04 . 1 . . . A 705 HIS H . 19229 1 680 . 1 1 62 62 HIS HA H 1 4.282 0.04 . 1 . . . A 705 HIS HA . 19229 1 681 . 1 1 62 62 HIS HB2 H 1 3.163 0.04 . 2 . . . A 705 HIS HB2 . 19229 1 682 . 1 1 62 62 HIS HB3 H 1 3.128 0.04 . 2 . . . A 705 HIS HB3 . 19229 1 683 . 1 1 62 62 HIS C C 13 177.689 0.40 . 1 . . . A 705 HIS C . 19229 1 684 . 1 1 62 62 HIS CA C 13 58.646 0.40 . 1 . . . A 705 HIS CA . 19229 1 685 . 1 1 62 62 HIS CB C 13 29.726 0.40 . 1 . . . A 705 HIS CB . 19229 1 686 . 1 1 62 62 HIS N N 15 115.532 0.40 . 1 . . . A 705 HIS N . 19229 1 687 . 1 1 63 63 CYS H H 1 8.442 0.04 . 1 . . . A 706 CYS H . 19229 1 688 . 1 1 63 63 CYS HA H 1 3.771 0.04 . 1 . . . A 706 CYS HA . 19229 1 689 . 1 1 63 63 CYS HB2 H 1 2.841 0.04 . 2 . . . A 706 CYS HB2 . 19229 1 690 . 1 1 63 63 CYS HB3 H 1 2.565 0.04 . 2 . . . A 706 CYS HB3 . 19229 1 691 . 1 1 63 63 CYS C C 13 177.204 0.40 . 1 . . . A 706 CYS C . 19229 1 692 . 1 1 63 63 CYS CA C 13 64.247 0.40 . 1 . . . A 706 CYS CA . 19229 1 693 . 1 1 63 63 CYS CB C 13 29.443 0.40 . 1 . . . A 706 CYS CB . 19229 1 694 . 1 1 63 63 CYS N N 15 124.314 0.40 . 1 . . . A 706 CYS N . 19229 1 695 . 1 1 64 64 LEU H H 1 8.162 0.04 . 1 . . . A 707 LEU H . 19229 1 696 . 1 1 64 64 LEU HA H 1 3.750 0.04 . 1 . . . A 707 LEU HA . 19229 1 697 . 1 1 64 64 LEU HB2 H 1 1.351 0.04 . 2 . . . A 707 LEU HB2 . 19229 1 698 . 1 1 64 64 LEU HB3 H 1 1.517 0.04 . 2 . . . A 707 LEU HB3 . 19229 1 699 . 1 1 64 64 LEU HG H 1 1.337 0.04 . 1 . . . A 707 LEU HG . 19229 1 700 . 1 1 64 64 LEU HD11 H 1 0.705 0.04 . 2 . . . A 707 LEU HD11 . 19229 1 701 . 1 1 64 64 LEU HD12 H 1 0.705 0.04 . 2 . . . A 707 LEU HD12 . 19229 1 702 . 1 1 64 64 LEU HD13 H 1 0.705 0.04 . 2 . . . A 707 LEU HD13 . 19229 1 703 . 1 1 64 64 LEU HD21 H 1 0.680 0.04 . 2 . . . A 707 LEU HD21 . 19229 1 704 . 1 1 64 64 LEU HD22 H 1 0.680 0.04 . 2 . . . A 707 LEU HD22 . 19229 1 705 . 1 1 64 64 LEU HD23 H 1 0.680 0.04 . 2 . . . A 707 LEU HD23 . 19229 1 706 . 1 1 64 64 LEU C C 13 178.903 0.40 . 1 . . . A 707 LEU C . 19229 1 707 . 1 1 64 64 LEU CA C 13 57.202 0.40 . 1 . . . A 707 LEU CA . 19229 1 708 . 1 1 64 64 LEU CB C 13 41.983 0.40 . 1 . . . A 707 LEU CB . 19229 1 709 . 1 1 64 64 LEU CG C 13 26.639 0.40 . 1 . . . A 707 LEU CG . 19229 1 710 . 1 1 64 64 LEU CD1 C 13 25.149 0.40 . 2 . . . A 707 LEU CD1 . 19229 1 711 . 1 1 64 64 LEU CD2 C 13 24.019 0.40 . 2 . . . A 707 LEU CD2 . 19229 1 712 . 1 1 64 64 LEU N N 15 119.208 0.40 . 1 . . . A 707 LEU N . 19229 1 713 . 1 1 65 65 VAL H H 1 7.161 0.04 . 1 . . . A 708 VAL H . 19229 1 714 . 1 1 65 65 VAL HA H 1 3.749 0.04 . 1 . . . A 708 VAL HA . 19229 1 715 . 1 1 65 65 VAL HB H 1 1.945 0.04 . 1 . . . A 708 VAL HB . 19229 1 716 . 1 1 65 65 VAL HG11 H 1 0.891 0.04 . 2 . . . A 708 VAL HG11 . 19229 1 717 . 1 1 65 65 VAL HG12 H 1 0.891 0.04 . 2 . . . A 708 VAL HG12 . 19229 1 718 . 1 1 65 65 VAL HG13 H 1 0.891 0.04 . 2 . . . A 708 VAL HG13 . 19229 1 719 . 1 1 65 65 VAL HG21 H 1 0.801 0.04 . 2 . . . A 708 VAL HG21 . 19229 1 720 . 1 1 65 65 VAL HG22 H 1 0.801 0.04 . 2 . . . A 708 VAL HG22 . 19229 1 721 . 1 1 65 65 VAL HG23 H 1 0.801 0.04 . 2 . . . A 708 VAL HG23 . 19229 1 722 . 1 1 65 65 VAL C C 13 176.876 0.40 . 1 . . . A 708 VAL C . 19229 1 723 . 1 1 65 65 VAL CA C 13 64.077 0.40 . 1 . . . A 708 VAL CA . 19229 1 724 . 1 1 65 65 VAL CB C 13 31.984 0.40 . 1 . . . A 708 VAL CB . 19229 1 725 . 1 1 65 65 VAL CG1 C 13 21.465 0.40 . 2 . . . A 708 VAL CG1 . 19229 1 726 . 1 1 65 65 VAL CG2 C 13 20.966 0.40 . 2 . . . A 708 VAL CG2 . 19229 1 727 . 1 1 65 65 VAL N N 15 116.959 0.40 . 1 . . . A 708 VAL N . 19229 1 728 . 1 1 66 66 ALA H H 1 7.408 0.04 . 1 . . . A 709 ALA H . 19229 1 729 . 1 1 66 66 ALA HA H 1 4.113 0.04 . 1 . . . A 709 ALA HA . 19229 1 730 . 1 1 66 66 ALA HB1 H 1 1.233 0.04 . 1 . . . A 709 ALA HB1 . 19229 1 731 . 1 1 66 66 ALA HB2 H 1 1.233 0.04 . 1 . . . A 709 ALA HB2 . 19229 1 732 . 1 1 66 66 ALA HB3 H 1 1.233 0.04 . 1 . . . A 709 ALA HB3 . 19229 1 733 . 1 1 66 66 ALA C C 13 177.859 0.40 . 1 . . . A 709 ALA C . 19229 1 734 . 1 1 66 66 ALA CA C 13 52.693 0.40 . 1 . . . A 709 ALA CA . 19229 1 735 . 1 1 66 66 ALA CB C 13 18.736 0.40 . 1 . . . A 709 ALA CB . 19229 1 736 . 1 1 66 66 ALA N N 15 122.758 0.40 . 1 . . . A 709 ALA N . 19229 1 737 . 1 1 67 67 MET H H 1 7.586 0.04 . 1 . . . A 710 MET H . 19229 1 738 . 1 1 67 67 MET HA H 1 4.197 0.04 . 1 . . . A 710 MET HA . 19229 1 739 . 1 1 67 67 MET HB2 H 1 1.871 0.04 . 2 . . . A 710 MET HB2 . 19229 1 740 . 1 1 67 67 MET HB3 H 1 1.749 0.04 . 2 . . . A 710 MET HB3 . 19229 1 741 . 1 1 67 67 MET HG2 H 1 2.266 0.04 . 2 . . . A 710 MET HG2 . 19229 1 742 . 1 1 67 67 MET HG3 H 1 2.256 0.04 . 2 . . . A 710 MET HG3 . 19229 1 743 . 1 1 67 67 MET HE1 H 1 1.496 0.04 . 1 . . . A 710 MET HE1 . 19229 1 744 . 1 1 67 67 MET HE2 H 1 1.496 0.04 . 1 . . . A 710 MET HE2 . 19229 1 745 . 1 1 67 67 MET HE3 H 1 1.496 0.04 . 1 . . . A 710 MET HE3 . 19229 1 746 . 1 1 67 67 MET C C 13 175.832 0.40 . 1 . . . A 710 MET C . 19229 1 747 . 1 1 67 67 MET CA C 13 55.557 0.40 . 1 . . . A 710 MET CA . 19229 1 748 . 1 1 67 67 MET CB C 13 33.440 0.40 . 1 . . . A 710 MET CB . 19229 1 749 . 1 1 67 67 MET CG C 13 31.601 0.40 . 1 . . . A 710 MET CG . 19229 1 750 . 1 1 67 67 MET CE C 13 16.010 0.40 . 1 . . . A 710 MET CE . 19229 1 751 . 1 1 67 67 MET N N 15 117.242 0.40 . 1 . . . A 710 MET N . 19229 1 752 . 1 1 68 68 GLU H H 1 7.828 0.04 . 1 . . . A 711 GLU H . 19229 1 753 . 1 1 68 68 GLU HA H 1 4.387 0.04 . 1 . . . A 711 GLU HA . 19229 1 754 . 1 1 68 68 GLU HB2 H 1 1.888 0.04 . 2 . . . A 711 GLU HB2 . 19229 1 755 . 1 1 68 68 GLU HB3 H 1 1.802 0.04 . 2 . . . A 711 GLU HB3 . 19229 1 756 . 1 1 68 68 GLU HG2 H 1 2.217 0.04 . 2 . . . A 711 GLU HG2 . 19229 1 757 . 1 1 68 68 GLU HG3 H 1 2.152 0.04 . 2 . . . A 711 GLU HG3 . 19229 1 758 . 1 1 68 68 GLU CA C 13 54.384 0.40 . 1 . . . A 711 GLU CA . 19229 1 759 . 1 1 68 68 GLU CB C 13 29.444 0.40 . 1 . . . A 711 GLU CB . 19229 1 760 . 1 1 68 68 GLU CG C 13 35.784 0.40 . 1 . . . A 711 GLU CG . 19229 1 761 . 1 1 68 68 GLU N N 15 122.546 0.40 . 1 . . . A 711 GLU N . 19229 1 762 . 1 1 69 69 PRO HA H 1 4.332 0.04 . 1 . . . A 712 PRO HA . 19229 1 763 . 1 1 69 69 PRO HB2 H 1 1.772 0.04 . 2 . . . A 712 PRO HB2 . 19229 1 764 . 1 1 69 69 PRO HB3 H 1 2.157 0.04 . 2 . . . A 712 PRO HB3 . 19229 1 765 . 1 1 69 69 PRO HG2 H 1 1.884 0.04 . 2 . . . A 712 PRO HG2 . 19229 1 766 . 1 1 69 69 PRO HG3 H 1 1.930 0.04 . 2 . . . A 712 PRO HG3 . 19229 1 767 . 1 1 69 69 PRO HD2 H 1 3.543 0.04 . 2 . . . A 712 PRO HD2 . 19229 1 768 . 1 1 69 69 PRO HD3 H 1 3.653 0.04 . 2 . . . A 712 PRO HD3 . 19229 1 769 . 1 1 69 69 PRO C C 13 176.876 0.40 . 1 . . . A 712 PRO C . 19229 1 770 . 1 1 69 69 PRO CA C 13 62.994 0.40 . 1 . . . A 712 PRO CA . 19229 1 771 . 1 1 69 69 PRO CB C 13 31.922 0.40 . 1 . . . A 712 PRO CB . 19229 1 772 . 1 1 69 69 PRO CG C 13 27.317 0.40 . 1 . . . A 712 PRO CG . 19229 1 773 . 1 1 69 69 PRO CD C 13 50.492 0.40 . 1 . . . A 712 PRO CD . 19229 1 774 . 1 1 70 70 VAL H H 1 8.157 0.04 . 1 . . . A 713 VAL H . 19229 1 775 . 1 1 70 70 VAL HA H 1 3.993 0.04 . 1 . . . A 713 VAL HA . 19229 1 776 . 1 1 70 70 VAL HB H 1 1.962 0.04 . 1 . . . A 713 VAL HB . 19229 1 777 . 1 1 70 70 VAL HG11 H 1 0.847 0.04 . 2 . . . A 713 VAL HG11 . 19229 1 778 . 1 1 70 70 VAL HG12 H 1 0.847 0.04 . 2 . . . A 713 VAL HG12 . 19229 1 779 . 1 1 70 70 VAL HG13 H 1 0.847 0.04 . 2 . . . A 713 VAL HG13 . 19229 1 780 . 1 1 70 70 VAL HG21 H 1 0.842 0.04 . 2 . . . A 713 VAL HG21 . 19229 1 781 . 1 1 70 70 VAL HG22 H 1 0.842 0.04 . 2 . . . A 713 VAL HG22 . 19229 1 782 . 1 1 70 70 VAL HG23 H 1 0.842 0.04 . 2 . . . A 713 VAL HG23 . 19229 1 783 . 1 1 70 70 VAL C C 13 176.257 0.40 . 1 . . . A 713 VAL C . 19229 1 784 . 1 1 70 70 VAL CA C 13 62.133 0.40 . 1 . . . A 713 VAL CA . 19229 1 785 . 1 1 70 70 VAL CB C 13 32.615 0.40 . 1 . . . A 713 VAL CB . 19229 1 786 . 1 1 70 70 VAL CG1 C 13 20.694 0.40 . 2 . . . A 713 VAL CG1 . 19229 1 787 . 1 1 70 70 VAL CG2 C 13 21.224 0.40 . 2 . . . A 713 VAL CG2 . 19229 1 788 . 1 1 70 70 VAL N N 15 120.328 0.40 . 1 . . . A 713 VAL N . 19229 1 789 . 1 1 71 71 SER H H 1 8.368 0.04 . 1 . . . A 714 SER H . 19229 1 790 . 1 1 71 71 SER HA H 1 4.440 0.04 . 1 . . . A 714 SER HA . 19229 1 791 . 1 1 71 71 SER HB2 H 1 3.776 0.04 . 2 . . . A 714 SER HB2 . 19229 1 792 . 1 1 71 71 SER HB3 H 1 3.760 0.04 . 2 . . . A 714 SER HB3 . 19229 1 793 . 1 1 71 71 SER C C 13 174.619 0.40 . 1 . . . A 714 SER C . 19229 1 794 . 1 1 71 71 SER CA C 13 57.976 0.40 . 1 . . . A 714 SER CA . 19229 1 795 . 1 1 71 71 SER CB C 13 63.816 0.40 . 1 . . . A 714 SER CB . 19229 1 796 . 1 1 71 71 SER N N 15 119.503 0.40 . 1 . . . A 714 SER N . 19229 1 797 . 1 1 72 72 THR H H 1 8.141 0.04 . 1 . . . A 715 THR H . 19229 1 798 . 1 1 72 72 THR HA H 1 4.261 0.04 . 1 . . . A 715 THR HA . 19229 1 799 . 1 1 72 72 THR HB H 1 4.181 0.04 . 1 . . . A 715 THR HB . 19229 1 800 . 1 1 72 72 THR HG21 H 1 1.127 0.04 . 1 . . . A 715 THR HG21 . 19229 1 801 . 1 1 72 72 THR HG22 H 1 1.127 0.04 . 1 . . . A 715 THR HG22 . 19229 1 802 . 1 1 72 72 THR HG23 H 1 1.127 0.04 . 1 . . . A 715 THR HG23 . 19229 1 803 . 1 1 72 72 THR C C 13 173.559 0.40 . 1 . . . A 715 THR C . 19229 1 804 . 1 1 72 72 THR CA C 13 61.499 0.40 . 1 . . . A 715 THR CA . 19229 1 805 . 1 1 72 72 THR CB C 13 69.476 0.40 . 1 . . . A 715 THR CB . 19229 1 806 . 1 1 72 72 THR CG2 C 13 21.597 0.40 . 1 . . . A 715 THR CG2 . 19229 1 807 . 1 1 72 72 THR N N 15 116.281 0.40 . 1 . . . A 715 THR N . 19229 1 808 . 1 1 73 73 ARG H H 1 7.866 0.04 . 1 . . . A 716 ARG H . 19229 1 809 . 1 1 73 73 ARG HA H 1 4.017 0.04 . 1 . . . A 716 ARG HA . 19229 1 810 . 1 1 73 73 ARG HB2 H 1 1.698 0.04 . 2 . . . A 716 ARG HB2 . 19229 1 811 . 1 1 73 73 ARG HB3 H 1 1.732 0.04 . 2 . . . A 716 ARG HB3 . 19229 1 812 . 1 1 73 73 ARG HG2 H 1 1.602 0.04 . 2 . . . A 716 ARG HG2 . 19229 1 813 . 1 1 73 73 ARG HG3 H 1 1.483 0.04 . 2 . . . A 716 ARG HG3 . 19229 1 814 . 1 1 73 73 ARG HD2 H 1 3.044 0.04 . 2 . . . A 716 ARG HD2 . 19229 1 815 . 1 1 73 73 ARG HD3 H 1 3.038 0.04 . 2 . . . A 716 ARG HD3 . 19229 1 816 . 1 1 73 73 ARG CA C 13 57.442 0.40 . 1 . . . A 716 ARG CA . 19229 1 817 . 1 1 73 73 ARG CB C 13 31.227 0.40 . 1 . . . A 716 ARG CB . 19229 1 818 . 1 1 73 73 ARG CG C 13 27.026 0.40 . 1 . . . A 716 ARG CG . 19229 1 819 . 1 1 73 73 ARG CD C 13 43.390 0.40 . 1 . . . A 716 ARG CD . 19229 1 820 . 1 1 73 73 ARG N N 15 127.984 0.40 . 1 . . . A 716 ARG N . 19229 1 stop_ save_