data_11380 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11380 _Entry.Title ; Solution structure of the 4th zinc finger domain of Zinc finger protein 278 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-08 _Entry.Accession_date 2010-09-08 _Entry.Last_release_date 2011-09-07 _Entry.Original_release_date 2011-09-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 W. Tanabe . . . 11380 2 S. Suzuki . . . 11380 3 Y. Muto . . . 11380 4 M. Inoue . . . 11380 5 T. Kigawa . . . 11380 6 T. Terada . . . 11380 7 M. Shirouzu . . . 11380 8 S. Yokoyama . . . 11380 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11380 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11380 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 190 11380 '15N chemical shifts' 44 11380 '1H chemical shifts' 287 11380 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-09-07 2010-09-08 original author . 11380 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EPS 'BMRB Entry Tracking System' 11380 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11380 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the 4th zinc finger domain of Zinc finger protein 278' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 W. Tanabe . . . 11380 1 2 S. Suzuki . . . 11380 1 3 Y. Muto . . . 11380 1 4 M. Inoue . . . 11380 1 5 T. Kigawa . . . 11380 1 6 T. Terada . . . 11380 1 7 M. Shirouzu . . . 11380 1 8 S. Yokoyama . . . 11380 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11380 _Assembly.ID 1 _Assembly.Name 'POZ-, AT hook-, and zinc finger-containing protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'zinc finger domain, UNP residues 408-448' 1 $entity_1 A . yes native no no . . . 11380 1 2 'ZINC ION' 2 $ZN B . no native no no . . . 11380 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'zinc finger domain, UNP residues 408-448' 1 CYS 15 15 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 15 CYS SG . . . . ZN 11380 1 2 coordination single . 1 'zinc finger domain, UNP residues 408-448' 1 CYS 18 18 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 11380 1 3 coordination single . 1 'zinc finger domain, UNP residues 408-448' 1 HIS 31 31 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 31 HIS NE2 . . . . ZN 11380 1 4 coordination single . 1 'zinc finger domain, UNP residues 408-448' 1 HIS 36 36 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 36 HIS NE2 . . . . ZN 11380 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 HIS 31 31 HE2 . 31 HIS HE2 11380 1 . . 1 1 HIS 36 36 HE2 . 36 HIS HE2 11380 1 . . 1 1 CYS 15 15 HG . 15 CYS HG 11380 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 11380 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2eps . . . . . . 11380 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11380 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'zinc finger domain, UNP residues 408-448' _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 ; GSSGSSGSVGKPYICQSCGK GFSRPDHLNGHIKQVHTSER PHKCQVWVSGPSSG ; _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 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2EPS . "Solution Structure Of The 4th Zinc Finger Domain Of Zinc Finger Protein 278" . . . . . 100.00 54 100.00 100.00 5.76e-29 . . . . 11380 1 2 no GB AAG09036 . "EWS/ZSG fusion protein long A isoform [Homo sapiens]" . . . . . 74.07 713 97.50 97.50 3.31e-18 . . . . 11380 1 3 no GB AAG09037 . "EWS/ZSG fusion protein long B isoform [Homo sapiens]" . . . . . 74.07 609 97.50 97.50 3.08e-18 . . . . 11380 1 4 no GB KFQ43058 . "POZ-, AT hook-, and zinc finger-containing protein 1, partial [Nestor notabilis]" . . . . . 74.07 94 97.50 97.50 5.78e-19 . . . . 11380 1 5 no REF XP_004934428 . "PREDICTED: POZ-, AT hook-, and zinc finger-containing protein 1 isoform X4 [Gallus gallus]" . . . . . 74.07 714 97.50 97.50 5.78e-18 . . . . 11380 1 6 no REF XP_004934429 . "PREDICTED: POZ-, AT hook-, and zinc finger-containing protein 1 isoform X5 [Gallus gallus]" . . . . . 74.07 713 97.50 97.50 5.83e-18 . . . . 11380 1 7 no REF XP_004934430 . "PREDICTED: POZ-, AT hook-, and zinc finger-containing protein 1 isoform X6 [Gallus gallus]" . . . . . 74.07 713 97.50 97.50 5.83e-18 . . . . 11380 1 8 no REF XP_004934431 . "PREDICTED: POZ-, AT hook-, and zinc finger-containing protein 1 isoform X7 [Gallus gallus]" . . . . . 74.07 712 97.50 97.50 5.82e-18 . . . . 11380 1 9 no REF XP_004934432 . "PREDICTED: POZ-, AT hook-, and zinc finger-containing protein 1 isoform X8 [Gallus gallus]" . . . . . 74.07 564 97.50 97.50 4.98e-18 . . . . 11380 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'zinc finger domain, UNP residues 408-448' . 11380 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 . GLY . 11380 1 2 . SER . 11380 1 3 . SER . 11380 1 4 . GLY . 11380 1 5 . SER . 11380 1 6 . SER . 11380 1 7 . GLY . 11380 1 8 . SER . 11380 1 9 . VAL . 11380 1 10 . GLY . 11380 1 11 . LYS . 11380 1 12 . PRO . 11380 1 13 . TYR . 11380 1 14 . ILE . 11380 1 15 . CYS . 11380 1 16 . GLN . 11380 1 17 . SER . 11380 1 18 . CYS . 11380 1 19 . GLY . 11380 1 20 . LYS . 11380 1 21 . GLY . 11380 1 22 . PHE . 11380 1 23 . SER . 11380 1 24 . ARG . 11380 1 25 . PRO . 11380 1 26 . ASP . 11380 1 27 . HIS . 11380 1 28 . LEU . 11380 1 29 . ASN . 11380 1 30 . GLY . 11380 1 31 . HIS . 11380 1 32 . ILE . 11380 1 33 . LYS . 11380 1 34 . GLN . 11380 1 35 . VAL . 11380 1 36 . HIS . 11380 1 37 . THR . 11380 1 38 . SER . 11380 1 39 . GLU . 11380 1 40 . ARG . 11380 1 41 . PRO . 11380 1 42 . HIS . 11380 1 43 . LYS . 11380 1 44 . CYS . 11380 1 45 . GLN . 11380 1 46 . VAL . 11380 1 47 . TRP . 11380 1 48 . VAL . 11380 1 49 . SER . 11380 1 50 . GLY . 11380 1 51 . PRO . 11380 1 52 . SER . 11380 1 53 . SER . 11380 1 54 . GLY . 11380 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 11380 1 . SER 2 2 11380 1 . SER 3 3 11380 1 . GLY 4 4 11380 1 . SER 5 5 11380 1 . SER 6 6 11380 1 . GLY 7 7 11380 1 . SER 8 8 11380 1 . VAL 9 9 11380 1 . GLY 10 10 11380 1 . LYS 11 11 11380 1 . PRO 12 12 11380 1 . TYR 13 13 11380 1 . ILE 14 14 11380 1 . CYS 15 15 11380 1 . GLN 16 16 11380 1 . SER 17 17 11380 1 . CYS 18 18 11380 1 . GLY 19 19 11380 1 . LYS 20 20 11380 1 . GLY 21 21 11380 1 . PHE 22 22 11380 1 . SER 23 23 11380 1 . ARG 24 24 11380 1 . PRO 25 25 11380 1 . ASP 26 26 11380 1 . HIS 27 27 11380 1 . LEU 28 28 11380 1 . ASN 29 29 11380 1 . GLY 30 30 11380 1 . HIS 31 31 11380 1 . ILE 32 32 11380 1 . LYS 33 33 11380 1 . GLN 34 34 11380 1 . VAL 35 35 11380 1 . HIS 36 36 11380 1 . THR 37 37 11380 1 . SER 38 38 11380 1 . GLU 39 39 11380 1 . ARG 40 40 11380 1 . PRO 41 41 11380 1 . HIS 42 42 11380 1 . LYS 43 43 11380 1 . CYS 44 44 11380 1 . GLN 45 45 11380 1 . VAL 46 46 11380 1 . TRP 47 47 11380 1 . VAL 48 48 11380 1 . SER 49 49 11380 1 . GLY 50 50 11380 1 . PRO 51 51 11380 1 . SER 52 52 11380 1 . SER 53 53 11380 1 . GLY 54 54 11380 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11380 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 11380 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 11380 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11380 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 11380 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P061204-08 . . . . . . 11380 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 11380 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 11380 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11380 ZN [Zn++] SMILES CACTVS 3.341 11380 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11380 ZN [Zn+2] SMILES ACDLabs 10.04 11380 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11380 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11380 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 11380 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11380 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11380 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11380 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.08mM 13C-15N {PROTEIN;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM ZnCl2+1mM {IDA;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'zinc finger domain, UNP residues 408-448' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.08 . . mM . . . . 11380 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11380 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11380 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11380 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11380 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11380 1 7 IDA 'natural abundance' . . . . . salt 1 . . mM . . . . 11380 1 8 H2O . . . . . . solvent 90 . . % . . . . 11380 1 9 D2O . . . . . . solvent 10 . . % . . . . 11380 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11380 _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' 120 0.1 mM 11380 1 pH 7.0 0.05 pH 11380 1 pressure 1 0.001 atm 11380 1 temperature 298 0.1 K 11380 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11380 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11380 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11380 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11380 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060702 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11380 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11380 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11380 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11380 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11380 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11380 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11380 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11380 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11380 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11380 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11380 5 'structure solution' 11380 5 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 11380 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _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 11380 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11380 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 11380 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11380 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11380 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11380 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect 0.251449530 . . . . . . . . . 11380 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11380 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11380 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11380 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11380 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11380 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11380 1 2 $NMRPipe . . 11380 1 3 $NMRView . . 11380 1 4 $Kujira . . 11380 1 5 $CYANA . . 11380 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 8 8 SER HA H 1 4.455 0.030 . 1 . . . . 8 SER HA . 11380 1 2 . 1 1 8 8 SER HB2 H 1 3.799 0.030 . 2 . . . . 8 SER HB2 . 11380 1 3 . 1 1 8 8 SER C C 13 174.591 0.300 . 1 . . . . 8 SER C . 11380 1 4 . 1 1 8 8 SER CA C 13 58.058 0.300 . 1 . . . . 8 SER CA . 11380 1 5 . 1 1 8 8 SER CB C 13 63.870 0.300 . 1 . . . . 8 SER CB . 11380 1 6 . 1 1 9 9 VAL H H 1 8.102 0.030 . 1 . . . . 9 VAL H . 11380 1 7 . 1 1 9 9 VAL HA H 1 4.066 0.030 . 1 . . . . 9 VAL HA . 11380 1 8 . 1 1 9 9 VAL HB H 1 2.059 0.030 . 1 . . . . 9 VAL HB . 11380 1 9 . 1 1 9 9 VAL HG11 H 1 0.907 0.030 . 1 . . . . 9 VAL HG1 . 11380 1 10 . 1 1 9 9 VAL HG12 H 1 0.907 0.030 . 1 . . . . 9 VAL HG1 . 11380 1 11 . 1 1 9 9 VAL HG13 H 1 0.907 0.030 . 1 . . . . 9 VAL HG1 . 11380 1 12 . 1 1 9 9 VAL HG21 H 1 0.894 0.030 . 1 . . . . 9 VAL HG2 . 11380 1 13 . 1 1 9 9 VAL HG22 H 1 0.894 0.030 . 1 . . . . 9 VAL HG2 . 11380 1 14 . 1 1 9 9 VAL HG23 H 1 0.894 0.030 . 1 . . . . 9 VAL HG2 . 11380 1 15 . 1 1 9 9 VAL C C 13 176.650 0.300 . 1 . . . . 9 VAL C . 11380 1 16 . 1 1 9 9 VAL CA C 13 62.592 0.300 . 1 . . . . 9 VAL CA . 11380 1 17 . 1 1 9 9 VAL CB C 13 32.550 0.300 . 1 . . . . 9 VAL CB . 11380 1 18 . 1 1 9 9 VAL CG1 C 13 20.457 0.300 . 2 . . . . 9 VAL CG1 . 11380 1 19 . 1 1 9 9 VAL CG2 C 13 21.026 0.300 . 2 . . . . 9 VAL CG2 . 11380 1 20 . 1 1 9 9 VAL N N 15 121.664 0.300 . 1 . . . . 9 VAL N . 11380 1 21 . 1 1 10 10 GLY H H 1 8.425 0.030 . 1 . . . . 10 GLY H . 11380 1 22 . 1 1 10 10 GLY HA2 H 1 3.838 0.030 . 2 . . . . 10 GLY HA2 . 11380 1 23 . 1 1 10 10 GLY HA3 H 1 3.875 0.030 . 2 . . . . 10 GLY HA3 . 11380 1 24 . 1 1 10 10 GLY C C 13 173.832 0.300 . 1 . . . . 10 GLY C . 11380 1 25 . 1 1 10 10 GLY CA C 13 45.223 0.300 . 1 . . . . 10 GLY CA . 11380 1 26 . 1 1 10 10 GLY N N 15 112.178 0.300 . 1 . . . . 10 GLY N . 11380 1 27 . 1 1 11 11 LYS H H 1 7.981 0.030 . 1 . . . . 11 LYS H . 11380 1 28 . 1 1 11 11 LYS HA H 1 4.438 0.030 . 1 . . . . 11 LYS HA . 11380 1 29 . 1 1 11 11 LYS HB2 H 1 1.469 0.030 . 2 . . . . 11 LYS HB2 . 11380 1 30 . 1 1 11 11 LYS HB3 H 1 1.371 0.030 . 2 . . . . 11 LYS HB3 . 11380 1 31 . 1 1 11 11 LYS HD2 H 1 1.358 0.030 . 2 . . . . 11 LYS HD2 . 11380 1 32 . 1 1 11 11 LYS HD3 H 1 1.464 0.030 . 2 . . . . 11 LYS HD3 . 11380 1 33 . 1 1 11 11 LYS HE2 H 1 2.853 0.030 . 1 . . . . 11 LYS HE2 . 11380 1 34 . 1 1 11 11 LYS HE3 H 1 2.853 0.030 . 1 . . . . 11 LYS HE3 . 11380 1 35 . 1 1 11 11 LYS HG2 H 1 1.235 0.030 . 2 . . . . 11 LYS HG2 . 11380 1 36 . 1 1 11 11 LYS HG3 H 1 1.086 0.030 . 2 . . . . 11 LYS HG3 . 11380 1 37 . 1 1 11 11 LYS C C 13 174.108 0.300 . 1 . . . . 11 LYS C . 11380 1 38 . 1 1 11 11 LYS CA C 13 53.549 0.300 . 1 . . . . 11 LYS CA . 11380 1 39 . 1 1 11 11 LYS CB C 13 32.611 0.300 . 1 . . . . 11 LYS CB . 11380 1 40 . 1 1 11 11 LYS CD C 13 29.288 0.300 . 1 . . . . 11 LYS CD . 11380 1 41 . 1 1 11 11 LYS CE C 13 42.129 0.300 . 1 . . . . 11 LYS CE . 11380 1 42 . 1 1 11 11 LYS CG C 13 24.759 0.300 . 1 . . . . 11 LYS CG . 11380 1 43 . 1 1 11 11 LYS N N 15 120.742 0.300 . 1 . . . . 11 LYS N . 11380 1 44 . 1 1 12 12 PRO HA H 1 4.264 0.030 . 1 . . . . 12 PRO HA . 11380 1 45 . 1 1 12 12 PRO HB2 H 1 1.968 0.030 . 2 . . . . 12 PRO HB2 . 11380 1 46 . 1 1 12 12 PRO HB3 H 1 1.317 0.030 . 2 . . . . 12 PRO HB3 . 11380 1 47 . 1 1 12 12 PRO HD2 H 1 3.589 0.030 . 2 . . . . 12 PRO HD2 . 11380 1 48 . 1 1 12 12 PRO HD3 H 1 3.547 0.030 . 2 . . . . 12 PRO HD3 . 11380 1 49 . 1 1 12 12 PRO HG2 H 1 1.566 0.030 . 2 . . . . 12 PRO HG2 . 11380 1 50 . 1 1 12 12 PRO HG3 H 1 1.836 0.030 . 2 . . . . 12 PRO HG3 . 11380 1 51 . 1 1 12 12 PRO C C 13 176.373 0.300 . 1 . . . . 12 PRO C . 11380 1 52 . 1 1 12 12 PRO CA C 13 63.498 0.300 . 1 . . . . 12 PRO CA . 11380 1 53 . 1 1 12 12 PRO CB C 13 32.031 0.300 . 1 . . . . 12 PRO CB . 11380 1 54 . 1 1 12 12 PRO CD C 13 50.089 0.300 . 1 . . . . 12 PRO CD . 11380 1 55 . 1 1 12 12 PRO CG C 13 26.576 0.300 . 1 . . . . 12 PRO CG . 11380 1 56 . 1 1 13 13 TYR H H 1 7.839 0.030 . 1 . . . . 13 TYR H . 11380 1 57 . 1 1 13 13 TYR HA H 1 4.533 0.030 . 1 . . . . 13 TYR HA . 11380 1 58 . 1 1 13 13 TYR HB2 H 1 2.875 0.030 . 2 . . . . 13 TYR HB2 . 11380 1 59 . 1 1 13 13 TYR HB3 H 1 2.756 0.030 . 2 . . . . 13 TYR HB3 . 11380 1 60 . 1 1 13 13 TYR HD1 H 1 6.989 0.030 . 1 . . . . 13 TYR HD1 . 11380 1 61 . 1 1 13 13 TYR HD2 H 1 6.989 0.030 . 1 . . . . 13 TYR HD2 . 11380 1 62 . 1 1 13 13 TYR HE1 H 1 6.811 0.030 . 1 . . . . 13 TYR HE1 . 11380 1 63 . 1 1 13 13 TYR HE2 H 1 6.811 0.030 . 1 . . . . 13 TYR HE2 . 11380 1 64 . 1 1 13 13 TYR C C 13 174.353 0.300 . 1 . . . . 13 TYR C . 11380 1 65 . 1 1 13 13 TYR CA C 13 57.745 0.300 . 1 . . . . 13 TYR CA . 11380 1 66 . 1 1 13 13 TYR CB C 13 37.788 0.300 . 1 . . . . 13 TYR CB . 11380 1 67 . 1 1 13 13 TYR CD1 C 13 133.185 0.300 . 1 . . . . 13 TYR CD1 . 11380 1 68 . 1 1 13 13 TYR CD2 C 13 133.185 0.300 . 1 . . . . 13 TYR CD2 . 11380 1 69 . 1 1 13 13 TYR CE1 C 13 118.213 0.300 . 1 . . . . 13 TYR CE1 . 11380 1 70 . 1 1 13 13 TYR CE2 C 13 118.213 0.300 . 1 . . . . 13 TYR CE2 . 11380 1 71 . 1 1 13 13 TYR N N 15 119.092 0.300 . 1 . . . . 13 TYR N . 11380 1 72 . 1 1 14 14 ILE H H 1 8.350 0.030 . 1 . . . . 14 ILE H . 11380 1 73 . 1 1 14 14 ILE HA H 1 4.565 0.030 . 1 . . . . 14 ILE HA . 11380 1 74 . 1 1 14 14 ILE HB H 1 1.649 0.030 . 1 . . . . 14 ILE HB . 11380 1 75 . 1 1 14 14 ILE HD11 H 1 0.687 0.030 . 1 . . . . 14 ILE HD1 . 11380 1 76 . 1 1 14 14 ILE HD12 H 1 0.687 0.030 . 1 . . . . 14 ILE HD1 . 11380 1 77 . 1 1 14 14 ILE HD13 H 1 0.687 0.030 . 1 . . . . 14 ILE HD1 . 11380 1 78 . 1 1 14 14 ILE HG12 H 1 1.328 0.030 . 2 . . . . 14 ILE HG12 . 11380 1 79 . 1 1 14 14 ILE HG13 H 1 1.031 0.030 . 2 . . . . 14 ILE HG13 . 11380 1 80 . 1 1 14 14 ILE HG21 H 1 0.619 0.030 . 1 . . . . 14 ILE HG2 . 11380 1 81 . 1 1 14 14 ILE HG22 H 1 0.619 0.030 . 1 . . . . 14 ILE HG2 . 11380 1 82 . 1 1 14 14 ILE HG23 H 1 0.619 0.030 . 1 . . . . 14 ILE HG2 . 11380 1 83 . 1 1 14 14 ILE C C 13 175.822 0.300 . 1 . . . . 14 ILE C . 11380 1 84 . 1 1 14 14 ILE CA C 13 59.436 0.300 . 1 . . . . 14 ILE CA . 11380 1 85 . 1 1 14 14 ILE CB C 13 39.789 0.300 . 1 . . . . 14 ILE CB . 11380 1 86 . 1 1 14 14 ILE CD1 C 13 12.116 0.300 . 1 . . . . 14 ILE CD1 . 11380 1 87 . 1 1 14 14 ILE CG1 C 13 27.470 0.300 . 1 . . . . 14 ILE CG1 . 11380 1 88 . 1 1 14 14 ILE CG2 C 13 16.987 0.300 . 1 . . . . 14 ILE CG2 . 11380 1 89 . 1 1 14 14 ILE N N 15 125.308 0.300 . 1 . . . . 14 ILE N . 11380 1 90 . 1 1 15 15 CYS H H 1 9.167 0.030 . 1 . . . . 15 CYS H . 11380 1 91 . 1 1 15 15 CYS HA H 1 4.482 0.030 . 1 . . . . 15 CYS HA . 11380 1 92 . 1 1 15 15 CYS HB2 H 1 3.335 0.030 . 2 . . . . 15 CYS HB2 . 11380 1 93 . 1 1 15 15 CYS HB3 H 1 2.857 0.030 . 2 . . . . 15 CYS HB3 . 11380 1 94 . 1 1 15 15 CYS C C 13 177.416 0.300 . 1 . . . . 15 CYS C . 11380 1 95 . 1 1 15 15 CYS CA C 13 59.996 0.300 . 1 . . . . 15 CYS CA . 11380 1 96 . 1 1 15 15 CYS CB C 13 29.374 0.300 . 1 . . . . 15 CYS CB . 11380 1 97 . 1 1 15 15 CYS N N 15 129.557 0.300 . 1 . . . . 15 CYS N . 11380 1 98 . 1 1 16 16 GLN H H 1 9.619 0.030 . 1 . . . . 16 GLN H . 11380 1 99 . 1 1 16 16 GLN HA H 1 4.114 0.030 . 1 . . . . 16 GLN HA . 11380 1 100 . 1 1 16 16 GLN HB2 H 1 2.197 0.030 . 2 . . . . 16 GLN HB2 . 11380 1 101 . 1 1 16 16 GLN HB3 H 1 2.062 0.030 . 2 . . . . 16 GLN HB3 . 11380 1 102 . 1 1 16 16 GLN HE21 H 1 6.916 0.030 . 2 . . . . 16 GLN HE21 . 11380 1 103 . 1 1 16 16 GLN HE22 H 1 7.426 0.030 . 2 . . . . 16 GLN HE22 . 11380 1 104 . 1 1 16 16 GLN HG2 H 1 2.488 0.030 . 1 . . . . 16 GLN HG2 . 11380 1 105 . 1 1 16 16 GLN HG3 H 1 2.488 0.030 . 1 . . . . 16 GLN HG3 . 11380 1 106 . 1 1 16 16 GLN C C 13 176.472 0.300 . 1 . . . . 16 GLN C . 11380 1 107 . 1 1 16 16 GLN CA C 13 57.727 0.300 . 1 . . . . 16 GLN CA . 11380 1 108 . 1 1 16 16 GLN CB C 13 28.533 0.300 . 1 . . . . 16 GLN CB . 11380 1 109 . 1 1 16 16 GLN CG C 13 34.083 0.300 . 1 . . . . 16 GLN CG . 11380 1 110 . 1 1 16 16 GLN N N 15 131.731 0.300 . 1 . . . . 16 GLN N . 11380 1 111 . 1 1 16 16 GLN NE2 N 15 112.852 0.300 . 1 . . . . 16 GLN NE2 . 11380 1 112 . 1 1 17 17 SER H H 1 8.734 0.030 . 1 . . . . 17 SER H . 11380 1 113 . 1 1 17 17 SER HA H 1 4.371 0.030 . 1 . . . . 17 SER HA . 11380 1 114 . 1 1 17 17 SER HB2 H 1 3.100 0.030 . 2 . . . . 17 SER HB2 . 11380 1 115 . 1 1 17 17 SER HB3 H 1 2.757 0.030 . 2 . . . . 17 SER HB3 . 11380 1 116 . 1 1 17 17 SER C C 13 174.756 0.300 . 1 . . . . 17 SER C . 11380 1 117 . 1 1 17 17 SER CA C 13 61.274 0.300 . 1 . . . . 17 SER CA . 11380 1 118 . 1 1 17 17 SER CB C 13 62.046 0.300 . 1 . . . . 17 SER CB . 11380 1 119 . 1 1 17 17 SER N N 15 116.303 0.300 . 1 . . . . 17 SER N . 11380 1 120 . 1 1 18 18 CYS H H 1 8.083 0.030 . 1 . . . . 18 CYS H . 11380 1 121 . 1 1 18 18 CYS HA H 1 5.178 0.030 . 1 . . . . 18 CYS HA . 11380 1 122 . 1 1 18 18 CYS HB2 H 1 3.410 0.030 . 2 . . . . 18 CYS HB2 . 11380 1 123 . 1 1 18 18 CYS HB3 H 1 2.914 0.030 . 2 . . . . 18 CYS HB3 . 11380 1 124 . 1 1 18 18 CYS C C 13 175.965 0.300 . 1 . . . . 18 CYS C . 11380 1 125 . 1 1 18 18 CYS CA C 13 58.708 0.300 . 1 . . . . 18 CYS CA . 11380 1 126 . 1 1 18 18 CYS CB C 13 32.658 0.300 . 1 . . . . 18 CYS CB . 11380 1 127 . 1 1 18 18 CYS N N 15 117.056 0.300 . 1 . . . . 18 CYS N . 11380 1 128 . 1 1 19 19 GLY H H 1 8.243 0.030 . 1 . . . . 19 GLY H . 11380 1 129 . 1 1 19 19 GLY HA2 H 1 4.149 0.030 . 2 . . . . 19 GLY HA2 . 11380 1 130 . 1 1 19 19 GLY HA3 H 1 3.664 0.030 . 2 . . . . 19 GLY HA3 . 11380 1 131 . 1 1 19 19 GLY C C 13 173.441 0.300 . 1 . . . . 19 GLY C . 11380 1 132 . 1 1 19 19 GLY CA C 13 46.088 0.300 . 1 . . . . 19 GLY CA . 11380 1 133 . 1 1 19 19 GLY N N 15 113.725 0.300 . 1 . . . . 19 GLY N . 11380 1 134 . 1 1 20 20 LYS H H 1 7.918 0.030 . 1 . . . . 20 LYS H . 11380 1 135 . 1 1 20 20 LYS HA H 1 3.933 0.030 . 1 . . . . 20 LYS HA . 11380 1 136 . 1 1 20 20 LYS HB2 H 1 1.463 0.030 . 2 . . . . 20 LYS HB2 . 11380 1 137 . 1 1 20 20 LYS HB3 H 1 1.229 0.030 . 2 . . . . 20 LYS HB3 . 11380 1 138 . 1 1 20 20 LYS HD2 H 1 1.503 0.030 . 2 . . . . 20 LYS HD2 . 11380 1 139 . 1 1 20 20 LYS HD3 H 1 1.403 0.030 . 2 . . . . 20 LYS HD3 . 11380 1 140 . 1 1 20 20 LYS HE2 H 1 2.917 0.030 . 2 . . . . 20 LYS HE2 . 11380 1 141 . 1 1 20 20 LYS HE3 H 1 2.858 0.030 . 2 . . . . 20 LYS HE3 . 11380 1 142 . 1 1 20 20 LYS HG2 H 1 1.001 0.030 . 2 . . . . 20 LYS HG2 . 11380 1 143 . 1 1 20 20 LYS HG3 H 1 1.365 0.030 . 2 . . . . 20 LYS HG3 . 11380 1 144 . 1 1 20 20 LYS C C 13 174.588 0.300 . 1 . . . . 20 LYS C . 11380 1 145 . 1 1 20 20 LYS CA C 13 58.058 0.300 . 1 . . . . 20 LYS CA . 11380 1 146 . 1 1 20 20 LYS CB C 13 33.801 0.300 . 1 . . . . 20 LYS CB . 11380 1 147 . 1 1 20 20 LYS CD C 13 29.369 0.300 . 1 . . . . 20 LYS CD . 11380 1 148 . 1 1 20 20 LYS CE C 13 42.253 0.300 . 1 . . . . 20 LYS CE . 11380 1 149 . 1 1 20 20 LYS CG C 13 26.116 0.300 . 1 . . . . 20 LYS CG . 11380 1 150 . 1 1 20 20 LYS N N 15 123.036 0.300 . 1 . . . . 20 LYS N . 11380 1 151 . 1 1 21 21 GLY H H 1 7.932 0.030 . 1 . . . . 21 GLY H . 11380 1 152 . 1 1 21 21 GLY HA2 H 1 4.915 0.030 . 2 . . . . 21 GLY HA2 . 11380 1 153 . 1 1 21 21 GLY HA3 H 1 3.249 0.030 . 2 . . . . 21 GLY HA3 . 11380 1 154 . 1 1 21 21 GLY C C 13 172.562 0.300 . 1 . . . . 21 GLY C . 11380 1 155 . 1 1 21 21 GLY CA C 13 44.174 0.300 . 1 . . . . 21 GLY CA . 11380 1 156 . 1 1 21 21 GLY N N 15 108.569 0.300 . 1 . . . . 21 GLY N . 11380 1 157 . 1 1 22 22 PHE H H 1 8.788 0.030 . 1 . . . . 22 PHE H . 11380 1 158 . 1 1 22 22 PHE HA H 1 4.768 0.030 . 1 . . . . 22 PHE HA . 11380 1 159 . 1 1 22 22 PHE HB2 H 1 3.447 0.030 . 2 . . . . 22 PHE HB2 . 11380 1 160 . 1 1 22 22 PHE HB3 H 1 2.825 0.030 . 2 . . . . 22 PHE HB3 . 11380 1 161 . 1 1 22 22 PHE HD1 H 1 7.320 0.030 . 1 . . . . 22 PHE HD1 . 11380 1 162 . 1 1 22 22 PHE HD2 H 1 7.320 0.030 . 1 . . . . 22 PHE HD2 . 11380 1 163 . 1 1 22 22 PHE HE1 H 1 6.797 0.030 . 1 . . . . 22 PHE HE1 . 11380 1 164 . 1 1 22 22 PHE HE2 H 1 6.797 0.030 . 1 . . . . 22 PHE HE2 . 11380 1 165 . 1 1 22 22 PHE HZ H 1 6.165 0.030 . 1 . . . . 22 PHE HZ . 11380 1 166 . 1 1 22 22 PHE C C 13 175.578 0.300 . 1 . . . . 22 PHE C . 11380 1 167 . 1 1 22 22 PHE CA C 13 57.246 0.300 . 1 . . . . 22 PHE CA . 11380 1 168 . 1 1 22 22 PHE CB C 13 43.805 0.300 . 1 . . . . 22 PHE CB . 11380 1 169 . 1 1 22 22 PHE CD1 C 13 132.480 0.300 . 1 . . . . 22 PHE CD1 . 11380 1 170 . 1 1 22 22 PHE CD2 C 13 132.480 0.300 . 1 . . . . 22 PHE CD2 . 11380 1 171 . 1 1 22 22 PHE CE1 C 13 130.772 0.300 . 1 . . . . 22 PHE CE1 . 11380 1 172 . 1 1 22 22 PHE CE2 C 13 130.772 0.300 . 1 . . . . 22 PHE CE2 . 11380 1 173 . 1 1 22 22 PHE CZ C 13 128.615 0.300 . 1 . . . . 22 PHE CZ . 11380 1 174 . 1 1 22 22 PHE N N 15 117.851 0.300 . 1 . . . . 22 PHE N . 11380 1 175 . 1 1 23 23 SER H H 1 9.774 0.030 . 1 . . . . 23 SER H . 11380 1 176 . 1 1 23 23 SER HA H 1 4.711 0.030 . 1 . . . . 23 SER HA . 11380 1 177 . 1 1 23 23 SER HB2 H 1 4.114 0.030 . 2 . . . . 23 SER HB2 . 11380 1 178 . 1 1 23 23 SER HB3 H 1 4.058 0.030 . 2 . . . . 23 SER HB3 . 11380 1 179 . 1 1 23 23 SER C C 13 173.960 0.300 . 1 . . . . 23 SER C . 11380 1 180 . 1 1 23 23 SER CA C 13 60.148 0.300 . 1 . . . . 23 SER CA . 11380 1 181 . 1 1 23 23 SER CB C 13 64.490 0.300 . 1 . . . . 23 SER CB . 11380 1 182 . 1 1 23 23 SER N N 15 116.001 0.300 . 1 . . . . 23 SER N . 11380 1 183 . 1 1 24 24 ARG H H 1 7.192 0.030 . 1 . . . . 24 ARG H . 11380 1 184 . 1 1 24 24 ARG HA H 1 4.738 0.030 . 1 . . . . 24 ARG HA . 11380 1 185 . 1 1 24 24 ARG HB2 H 1 1.873 0.030 . 2 . . . . 24 ARG HB2 . 11380 1 186 . 1 1 24 24 ARG HB3 H 1 0.877 0.030 . 2 . . . . 24 ARG HB3 . 11380 1 187 . 1 1 24 24 ARG HD2 H 1 2.780 0.030 . 2 . . . . 24 ARG HD2 . 11380 1 188 . 1 1 24 24 ARG HD3 H 1 3.079 0.030 . 2 . . . . 24 ARG HD3 . 11380 1 189 . 1 1 24 24 ARG HG2 H 1 1.344 0.030 . 2 . . . . 24 ARG HG2 . 11380 1 190 . 1 1 24 24 ARG HG3 H 1 1.525 0.030 . 2 . . . . 24 ARG HG3 . 11380 1 191 . 1 1 24 24 ARG C C 13 174.855 0.300 . 1 . . . . 24 ARG C . 11380 1 192 . 1 1 24 24 ARG CA C 13 52.650 0.300 . 1 . . . . 24 ARG CA . 11380 1 193 . 1 1 24 24 ARG CB C 13 33.486 0.300 . 1 . . . . 24 ARG CB . 11380 1 194 . 1 1 24 24 ARG CD C 13 43.439 0.300 . 1 . . . . 24 ARG CD . 11380 1 195 . 1 1 24 24 ARG CG C 13 26.275 0.300 . 1 . . . . 24 ARG CG . 11380 1 196 . 1 1 24 24 ARG N N 15 117.224 0.300 . 1 . . . . 24 ARG N . 11380 1 197 . 1 1 25 25 PRO HA H 1 3.470 0.030 . 1 . . . . 25 PRO HA . 11380 1 198 . 1 1 25 25 PRO HB2 H 1 1.752 0.030 . 1 . . . . 25 PRO HB2 . 11380 1 199 . 1 1 25 25 PRO HB3 H 1 1.752 0.030 . 1 . . . . 25 PRO HB3 . 11380 1 200 . 1 1 25 25 PRO HD2 H 1 3.032 0.030 . 2 . . . . 25 PRO HD2 . 11380 1 201 . 1 1 25 25 PRO HD3 H 1 3.533 0.030 . 2 . . . . 25 PRO HD3 . 11380 1 202 . 1 1 25 25 PRO HG2 H 1 1.876 0.030 . 2 . . . . 25 PRO HG2 . 11380 1 203 . 1 1 25 25 PRO HG3 H 1 1.514 0.030 . 2 . . . . 25 PRO HG3 . 11380 1 204 . 1 1 25 25 PRO C C 13 178.102 0.300 . 1 . . . . 25 PRO C . 11380 1 205 . 1 1 25 25 PRO CA C 13 64.466 0.300 . 1 . . . . 25 PRO CA . 11380 1 206 . 1 1 25 25 PRO CB C 13 31.083 0.300 . 1 . . . . 25 PRO CB . 11380 1 207 . 1 1 25 25 PRO CD C 13 50.083 0.300 . 1 . . . . 25 PRO CD . 11380 1 208 . 1 1 25 25 PRO CG C 13 26.538 0.300 . 1 . . . . 25 PRO CG . 11380 1 209 . 1 1 26 26 ASP H H 1 8.618 0.030 . 1 . . . . 26 ASP H . 11380 1 210 . 1 1 26 26 ASP HA H 1 4.287 0.030 . 1 . . . . 26 ASP HA . 11380 1 211 . 1 1 26 26 ASP HB2 H 1 2.500 0.030 . 2 . . . . 26 ASP HB2 . 11380 1 212 . 1 1 26 26 ASP HB3 H 1 2.666 0.030 . 2 . . . . 26 ASP HB3 . 11380 1 213 . 1 1 26 26 ASP C C 13 179.416 0.300 . 1 . . . . 26 ASP C . 11380 1 214 . 1 1 26 26 ASP CA C 13 56.125 0.300 . 1 . . . . 26 ASP CA . 11380 1 215 . 1 1 26 26 ASP CB C 13 38.236 0.300 . 1 . . . . 26 ASP CB . 11380 1 216 . 1 1 26 26 ASP N N 15 116.090 0.300 . 1 . . . . 26 ASP N . 11380 1 217 . 1 1 27 27 HIS H H 1 7.029 0.030 . 1 . . . . 27 HIS H . 11380 1 218 . 1 1 27 27 HIS HA H 1 4.498 0.030 . 1 . . . . 27 HIS HA . 11380 1 219 . 1 1 27 27 HIS HB2 H 1 3.282 0.030 . 1 . . . . 27 HIS HB2 . 11380 1 220 . 1 1 27 27 HIS HB3 H 1 3.282 0.030 . 1 . . . . 27 HIS HB3 . 11380 1 221 . 1 1 27 27 HIS HD2 H 1 6.855 0.030 . 1 . . . . 27 HIS HD2 . 11380 1 222 . 1 1 27 27 HIS HE1 H 1 7.773 0.030 . 1 . . . . 27 HIS HE1 . 11380 1 223 . 1 1 27 27 HIS C C 13 178.172 0.300 . 1 . . . . 27 HIS C . 11380 1 224 . 1 1 27 27 HIS CA C 13 56.808 0.300 . 1 . . . . 27 HIS CA . 11380 1 225 . 1 1 27 27 HIS CB C 13 31.689 0.300 . 1 . . . . 27 HIS CB . 11380 1 226 . 1 1 27 27 HIS CD2 C 13 116.577 0.300 . 1 . . . . 27 HIS CD2 . 11380 1 227 . 1 1 27 27 HIS CE1 C 13 139.024 0.300 . 1 . . . . 27 HIS CE1 . 11380 1 228 . 1 1 27 27 HIS N N 15 121.052 0.300 . 1 . . . . 27 HIS N . 11380 1 229 . 1 1 28 28 LEU H H 1 6.877 0.030 . 1 . . . . 28 LEU H . 11380 1 230 . 1 1 28 28 LEU HA H 1 3.169 0.030 . 1 . . . . 28 LEU HA . 11380 1 231 . 1 1 28 28 LEU HB2 H 1 1.892 0.030 . 2 . . . . 28 LEU HB2 . 11380 1 232 . 1 1 28 28 LEU HB3 H 1 1.257 0.030 . 2 . . . . 28 LEU HB3 . 11380 1 233 . 1 1 28 28 LEU HD11 H 1 0.993 0.030 . 1 . . . . 28 LEU HD1 . 11380 1 234 . 1 1 28 28 LEU HD12 H 1 0.993 0.030 . 1 . . . . 28 LEU HD1 . 11380 1 235 . 1 1 28 28 LEU HD13 H 1 0.993 0.030 . 1 . . . . 28 LEU HD1 . 11380 1 236 . 1 1 28 28 LEU HD21 H 1 1.037 0.030 . 1 . . . . 28 LEU HD2 . 11380 1 237 . 1 1 28 28 LEU HD22 H 1 1.037 0.030 . 1 . . . . 28 LEU HD2 . 11380 1 238 . 1 1 28 28 LEU HD23 H 1 1.037 0.030 . 1 . . . . 28 LEU HD2 . 11380 1 239 . 1 1 28 28 LEU HG H 1 1.572 0.030 . 1 . . . . 28 LEU HG . 11380 1 240 . 1 1 28 28 LEU C C 13 177.189 0.300 . 1 . . . . 28 LEU C . 11380 1 241 . 1 1 28 28 LEU CA C 13 57.896 0.300 . 1 . . . . 28 LEU CA . 11380 1 242 . 1 1 28 28 LEU CB C 13 39.999 0.300 . 1 . . . . 28 LEU CB . 11380 1 243 . 1 1 28 28 LEU CD1 C 13 26.373 0.300 . 2 . . . . 28 LEU CD1 . 11380 1 244 . 1 1 28 28 LEU CD2 C 13 22.519 0.300 . 2 . . . . 28 LEU CD2 . 11380 1 245 . 1 1 28 28 LEU CG C 13 27.538 0.300 . 1 . . . . 28 LEU CG . 11380 1 246 . 1 1 28 28 LEU N N 15 121.115 0.300 . 1 . . . . 28 LEU N . 11380 1 247 . 1 1 29 29 ASN H H 1 8.203 0.030 . 1 . . . . 29 ASN H . 11380 1 248 . 1 1 29 29 ASN HA H 1 4.339 0.030 . 1 . . . . 29 ASN HA . 11380 1 249 . 1 1 29 29 ASN HB2 H 1 2.710 0.030 . 1 . . . . 29 ASN HB2 . 11380 1 250 . 1 1 29 29 ASN HB3 H 1 2.710 0.030 . 1 . . . . 29 ASN HB3 . 11380 1 251 . 1 1 29 29 ASN HD21 H 1 7.576 0.030 . 2 . . . . 29 ASN HD21 . 11380 1 252 . 1 1 29 29 ASN HD22 H 1 6.863 0.030 . 2 . . . . 29 ASN HD22 . 11380 1 253 . 1 1 29 29 ASN C C 13 178.239 0.300 . 1 . . . . 29 ASN C . 11380 1 254 . 1 1 29 29 ASN CA C 13 56.678 0.300 . 1 . . . . 29 ASN CA . 11380 1 255 . 1 1 29 29 ASN CB C 13 37.934 0.300 . 1 . . . . 29 ASN CB . 11380 1 256 . 1 1 29 29 ASN N N 15 117.764 0.300 . 1 . . . . 29 ASN N . 11380 1 257 . 1 1 29 29 ASN ND2 N 15 112.209 0.300 . 1 . . . . 29 ASN ND2 . 11380 1 258 . 1 1 30 30 GLY H H 1 8.137 0.030 . 1 . . . . 30 GLY H . 11380 1 259 . 1 1 30 30 GLY HA2 H 1 3.856 0.030 . 2 . . . . 30 GLY HA2 . 11380 1 260 . 1 1 30 30 GLY HA3 H 1 3.764 0.030 . 2 . . . . 30 GLY HA3 . 11380 1 261 . 1 1 30 30 GLY C C 13 175.359 0.300 . 1 . . . . 30 GLY C . 11380 1 262 . 1 1 30 30 GLY CA C 13 47.072 0.300 . 1 . . . . 30 GLY CA . 11380 1 263 . 1 1 30 30 GLY N N 15 106.979 0.300 . 1 . . . . 30 GLY N . 11380 1 264 . 1 1 31 31 HIS H H 1 7.483 0.030 . 1 . . . . 31 HIS H . 11380 1 265 . 1 1 31 31 HIS HA H 1 4.294 0.030 . 1 . . . . 31 HIS HA . 11380 1 266 . 1 1 31 31 HIS HB2 H 1 3.237 0.030 . 2 . . . . 31 HIS HB2 . 11380 1 267 . 1 1 31 31 HIS HB3 H 1 2.817 0.030 . 2 . . . . 31 HIS HB3 . 11380 1 268 . 1 1 31 31 HIS HD2 H 1 7.127 0.030 . 1 . . . . 31 HIS HD2 . 11380 1 269 . 1 1 31 31 HIS HE1 H 1 8.038 0.030 . 1 . . . . 31 HIS HE1 . 11380 1 270 . 1 1 31 31 HIS C C 13 176.286 0.300 . 1 . . . . 31 HIS C . 11380 1 271 . 1 1 31 31 HIS CA C 13 59.285 0.300 . 1 . . . . 31 HIS CA . 11380 1 272 . 1 1 31 31 HIS CB C 13 28.316 0.300 . 1 . . . . 31 HIS CB . 11380 1 273 . 1 1 31 31 HIS CD2 C 13 127.949 0.300 . 1 . . . . 31 HIS CD2 . 11380 1 274 . 1 1 31 31 HIS CE1 C 13 139.387 0.300 . 1 . . . . 31 HIS CE1 . 11380 1 275 . 1 1 31 31 HIS N N 15 121.817 0.300 . 1 . . . . 31 HIS N . 11380 1 276 . 1 1 32 32 ILE H H 1 8.468 0.030 . 1 . . . . 32 ILE H . 11380 1 277 . 1 1 32 32 ILE HA H 1 3.371 0.030 . 1 . . . . 32 ILE HA . 11380 1 278 . 1 1 32 32 ILE HB H 1 1.898 0.030 . 1 . . . . 32 ILE HB . 11380 1 279 . 1 1 32 32 ILE HD11 H 1 1.051 0.030 . 1 . . . . 32 ILE HD1 . 11380 1 280 . 1 1 32 32 ILE HD12 H 1 1.051 0.030 . 1 . . . . 32 ILE HD1 . 11380 1 281 . 1 1 32 32 ILE HD13 H 1 1.051 0.030 . 1 . . . . 32 ILE HD1 . 11380 1 282 . 1 1 32 32 ILE HG12 H 1 1.393 0.030 . 2 . . . . 32 ILE HG12 . 11380 1 283 . 1 1 32 32 ILE HG13 H 1 2.111 0.030 . 2 . . . . 32 ILE HG13 . 11380 1 284 . 1 1 32 32 ILE HG21 H 1 0.949 0.030 . 1 . . . . 32 ILE HG2 . 11380 1 285 . 1 1 32 32 ILE HG22 H 1 0.949 0.030 . 1 . . . . 32 ILE HG2 . 11380 1 286 . 1 1 32 32 ILE HG23 H 1 0.949 0.030 . 1 . . . . 32 ILE HG2 . 11380 1 287 . 1 1 32 32 ILE C C 13 178.635 0.300 . 1 . . . . 32 ILE C . 11380 1 288 . 1 1 32 32 ILE CA C 13 66.696 0.300 . 1 . . . . 32 ILE CA . 11380 1 289 . 1 1 32 32 ILE CB C 13 38.528 0.300 . 1 . . . . 32 ILE CB . 11380 1 290 . 1 1 32 32 ILE CD1 C 13 14.251 0.300 . 1 . . . . 32 ILE CD1 . 11380 1 291 . 1 1 32 32 ILE CG1 C 13 30.504 0.300 . 1 . . . . 32 ILE CG1 . 11380 1 292 . 1 1 32 32 ILE CG2 C 13 17.415 0.300 . 1 . . . . 32 ILE CG2 . 11380 1 293 . 1 1 32 32 ILE N N 15 120.253 0.300 . 1 . . . . 32 ILE N . 11380 1 294 . 1 1 33 33 LYS H H 1 7.594 0.030 . 1 . . . . 33 LYS H . 11380 1 295 . 1 1 33 33 LYS HA H 1 3.975 0.030 . 1 . . . . 33 LYS HA . 11380 1 296 . 1 1 33 33 LYS HB2 H 1 1.825 0.030 . 1 . . . . 33 LYS HB2 . 11380 1 297 . 1 1 33 33 LYS HB3 H 1 1.825 0.030 . 1 . . . . 33 LYS HB3 . 11380 1 298 . 1 1 33 33 LYS HD2 H 1 1.606 0.030 . 1 . . . . 33 LYS HD2 . 11380 1 299 . 1 1 33 33 LYS HD3 H 1 1.606 0.030 . 1 . . . . 33 LYS HD3 . 11380 1 300 . 1 1 33 33 LYS HE2 H 1 2.905 0.030 . 1 . . . . 33 LYS HE2 . 11380 1 301 . 1 1 33 33 LYS HE3 H 1 2.905 0.030 . 1 . . . . 33 LYS HE3 . 11380 1 302 . 1 1 33 33 LYS HG2 H 1 1.459 0.030 . 2 . . . . 33 LYS HG2 . 11380 1 303 . 1 1 33 33 LYS HG3 H 1 1.376 0.030 . 2 . . . . 33 LYS HG3 . 11380 1 304 . 1 1 33 33 LYS C C 13 177.827 0.300 . 1 . . . . 33 LYS C . 11380 1 305 . 1 1 33 33 LYS CA C 13 58.576 0.300 . 1 . . . . 33 LYS CA . 11380 1 306 . 1 1 33 33 LYS CB C 13 32.530 0.300 . 1 . . . . 33 LYS CB . 11380 1 307 . 1 1 33 33 LYS CD C 13 29.089 0.300 . 1 . . . . 33 LYS CD . 11380 1 308 . 1 1 33 33 LYS CE C 13 42.051 0.300 . 1 . . . . 33 LYS CE . 11380 1 309 . 1 1 33 33 LYS CG C 13 24.986 0.300 . 1 . . . . 33 LYS CG . 11380 1 310 . 1 1 33 33 LYS N N 15 117.438 0.300 . 1 . . . . 33 LYS N . 11380 1 311 . 1 1 34 34 GLN H H 1 7.781 0.030 . 1 . . . . 34 GLN H . 11380 1 312 . 1 1 34 34 GLN HA H 1 4.052 0.030 . 1 . . . . 34 GLN HA . 11380 1 313 . 1 1 34 34 GLN HB2 H 1 2.040 0.030 . 2 . . . . 34 GLN HB2 . 11380 1 314 . 1 1 34 34 GLN HB3 H 1 2.006 0.030 . 2 . . . . 34 GLN HB3 . 11380 1 315 . 1 1 34 34 GLN HE21 H 1 7.346 0.030 . 2 . . . . 34 GLN HE21 . 11380 1 316 . 1 1 34 34 GLN HE22 H 1 6.780 0.030 . 2 . . . . 34 GLN HE22 . 11380 1 317 . 1 1 34 34 GLN HG2 H 1 2.397 0.030 . 2 . . . . 34 GLN HG2 . 11380 1 318 . 1 1 34 34 GLN HG3 H 1 2.263 0.030 . 2 . . . . 34 GLN HG3 . 11380 1 319 . 1 1 34 34 GLN C C 13 177.633 0.300 . 1 . . . . 34 GLN C . 11380 1 320 . 1 1 34 34 GLN CA C 13 58.102 0.300 . 1 . . . . 34 GLN CA . 11380 1 321 . 1 1 34 34 GLN CB C 13 29.767 0.300 . 1 . . . . 34 GLN CB . 11380 1 322 . 1 1 34 34 GLN CG C 13 33.918 0.300 . 1 . . . . 34 GLN CG . 11380 1 323 . 1 1 34 34 GLN N N 15 115.939 0.300 . 1 . . . . 34 GLN N . 11380 1 324 . 1 1 34 34 GLN NE2 N 15 111.654 0.300 . 1 . . . . 34 GLN NE2 . 11380 1 325 . 1 1 35 35 VAL H H 1 8.109 0.030 . 1 . . . . 35 VAL H . 11380 1 326 . 1 1 35 35 VAL HA H 1 3.923 0.030 . 1 . . . . 35 VAL HA . 11380 1 327 . 1 1 35 35 VAL HB H 1 0.900 0.030 . 1 . . . . 35 VAL HB . 11380 1 328 . 1 1 35 35 VAL HG11 H 1 0.517 0.030 . 1 . . . . 35 VAL HG1 . 11380 1 329 . 1 1 35 35 VAL HG12 H 1 0.517 0.030 . 1 . . . . 35 VAL HG1 . 11380 1 330 . 1 1 35 35 VAL HG13 H 1 0.517 0.030 . 1 . . . . 35 VAL HG1 . 11380 1 331 . 1 1 35 35 VAL HG21 H 1 0.371 0.030 . 1 . . . . 35 VAL HG2 . 11380 1 332 . 1 1 35 35 VAL HG22 H 1 0.371 0.030 . 1 . . . . 35 VAL HG2 . 11380 1 333 . 1 1 35 35 VAL HG23 H 1 0.371 0.030 . 1 . . . . 35 VAL HG2 . 11380 1 334 . 1 1 35 35 VAL C C 13 176.343 0.300 . 1 . . . . 35 VAL C . 11380 1 335 . 1 1 35 35 VAL CA C 13 63.693 0.300 . 1 . . . . 35 VAL CA . 11380 1 336 . 1 1 35 35 VAL CB C 13 33.241 0.300 . 1 . . . . 35 VAL CB . 11380 1 337 . 1 1 35 35 VAL CG1 C 13 21.746 0.300 . 2 . . . . 35 VAL CG1 . 11380 1 338 . 1 1 35 35 VAL CG2 C 13 21.184 0.300 . 2 . . . . 35 VAL CG2 . 11380 1 339 . 1 1 35 35 VAL N N 15 114.240 0.300 . 1 . . . . 35 VAL N . 11380 1 340 . 1 1 36 36 HIS H H 1 7.584 0.030 . 1 . . . . 36 HIS H . 11380 1 341 . 1 1 36 36 HIS HA H 1 5.185 0.030 . 1 . . . . 36 HIS HA . 11380 1 342 . 1 1 36 36 HIS HB2 H 1 3.165 0.030 . 2 . . . . 36 HIS HB2 . 11380 1 343 . 1 1 36 36 HIS HB3 H 1 3.347 0.030 . 2 . . . . 36 HIS HB3 . 11380 1 344 . 1 1 36 36 HIS HD2 H 1 6.608 0.030 . 1 . . . . 36 HIS HD2 . 11380 1 345 . 1 1 36 36 HIS HE1 H 1 7.978 0.030 . 1 . . . . 36 HIS HE1 . 11380 1 346 . 1 1 36 36 HIS C C 13 175.233 0.300 . 1 . . . . 36 HIS C . 11380 1 347 . 1 1 36 36 HIS CA C 13 54.276 0.300 . 1 . . . . 36 HIS CA . 11380 1 348 . 1 1 36 36 HIS CB C 13 28.843 0.300 . 1 . . . . 36 HIS CB . 11380 1 349 . 1 1 36 36 HIS CD2 C 13 127.725 0.300 . 1 . . . . 36 HIS CD2 . 11380 1 350 . 1 1 36 36 HIS CE1 C 13 139.769 0.300 . 1 . . . . 36 HIS CE1 . 11380 1 351 . 1 1 36 36 HIS N N 15 116.690 0.300 . 1 . . . . 36 HIS N . 11380 1 352 . 1 1 37 37 THR H H 1 7.642 0.030 . 1 . . . . 37 THR H . 11380 1 353 . 1 1 37 37 THR HA H 1 4.341 0.030 . 1 . . . . 37 THR HA . 11380 1 354 . 1 1 37 37 THR HB H 1 4.263 0.030 . 1 . . . . 37 THR HB . 11380 1 355 . 1 1 37 37 THR HG21 H 1 1.170 0.030 . 1 . . . . 37 THR HG2 . 11380 1 356 . 1 1 37 37 THR HG22 H 1 1.170 0.030 . 1 . . . . 37 THR HG2 . 11380 1 357 . 1 1 37 37 THR HG23 H 1 1.170 0.030 . 1 . . . . 37 THR HG2 . 11380 1 358 . 1 1 37 37 THR C C 13 174.555 0.300 . 1 . . . . 37 THR C . 11380 1 359 . 1 1 37 37 THR CA C 13 62.746 0.300 . 1 . . . . 37 THR CA . 11380 1 360 . 1 1 37 37 THR CB C 13 69.655 0.300 . 1 . . . . 37 THR CB . 11380 1 361 . 1 1 37 37 THR CG2 C 13 21.663 0.300 . 1 . . . . 37 THR CG2 . 11380 1 362 . 1 1 37 37 THR N N 15 113.465 0.300 . 1 . . . . 37 THR N . 11380 1 363 . 1 1 38 38 SER H H 1 8.360 0.030 . 1 . . . . 38 SER H . 11380 1 364 . 1 1 38 38 SER HA H 1 4.441 0.030 . 1 . . . . 38 SER HA . 11380 1 365 . 1 1 38 38 SER HB2 H 1 3.870 0.030 . 2 . . . . 38 SER HB2 . 11380 1 366 . 1 1 38 38 SER HB3 H 1 3.815 0.030 . 2 . . . . 38 SER HB3 . 11380 1 367 . 1 1 38 38 SER C C 13 174.311 0.300 . 1 . . . . 38 SER C . 11380 1 368 . 1 1 38 38 SER CA C 13 58.398 0.300 . 1 . . . . 38 SER CA . 11380 1 369 . 1 1 38 38 SER CB C 13 63.817 0.300 . 1 . . . . 38 SER CB . 11380 1 370 . 1 1 38 38 SER N N 15 117.878 0.300 . 1 . . . . 38 SER N . 11380 1 371 . 1 1 39 39 GLU H H 1 8.287 0.030 . 1 . . . . 39 GLU H . 11380 1 372 . 1 1 39 39 GLU HA H 1 4.248 0.030 . 1 . . . . 39 GLU HA . 11380 1 373 . 1 1 39 39 GLU HB2 H 1 2.001 0.030 . 2 . . . . 39 GLU HB2 . 11380 1 374 . 1 1 39 39 GLU HB3 H 1 1.909 0.030 . 2 . . . . 39 GLU HB3 . 11380 1 375 . 1 1 39 39 GLU HG2 H 1 2.240 0.030 . 2 . . . . 39 GLU HG2 . 11380 1 376 . 1 1 39 39 GLU HG3 H 1 2.197 0.030 . 2 . . . . 39 GLU HG3 . 11380 1 377 . 1 1 39 39 GLU C C 13 176.118 0.300 . 1 . . . . 39 GLU C . 11380 1 378 . 1 1 39 39 GLU CA C 13 56.464 0.300 . 1 . . . . 39 GLU CA . 11380 1 379 . 1 1 39 39 GLU CB C 13 30.282 0.300 . 1 . . . . 39 GLU CB . 11380 1 380 . 1 1 39 39 GLU CG C 13 36.244 0.300 . 1 . . . . 39 GLU CG . 11380 1 381 . 1 1 39 39 GLU N N 15 122.619 0.300 . 1 . . . . 39 GLU N . 11380 1 382 . 1 1 40 40 ARG H H 1 8.309 0.030 . 1 . . . . 40 ARG H . 11380 1 383 . 1 1 40 40 ARG HA H 1 4.573 0.030 . 1 . . . . 40 ARG HA . 11380 1 384 . 1 1 40 40 ARG HB2 H 1 1.678 0.030 . 2 . . . . 40 ARG HB2 . 11380 1 385 . 1 1 40 40 ARG HB3 H 1 1.789 0.030 . 2 . . . . 40 ARG HB3 . 11380 1 386 . 1 1 40 40 ARG HD2 H 1 3.160 0.030 . 1 . . . . 40 ARG HD2 . 11380 1 387 . 1 1 40 40 ARG HD3 H 1 3.160 0.030 . 1 . . . . 40 ARG HD3 . 11380 1 388 . 1 1 40 40 ARG HG2 H 1 1.611 0.030 . 1 . . . . 40 ARG HG2 . 11380 1 389 . 1 1 40 40 ARG HG3 H 1 1.611 0.030 . 1 . . . . 40 ARG HG3 . 11380 1 390 . 1 1 40 40 ARG C C 13 174.012 0.300 . 1 . . . . 40 ARG C . 11380 1 391 . 1 1 40 40 ARG CA C 13 53.787 0.300 . 1 . . . . 40 ARG CA . 11380 1 392 . 1 1 40 40 ARG CB C 13 30.106 0.300 . 1 . . . . 40 ARG CB . 11380 1 393 . 1 1 40 40 ARG CD C 13 43.378 0.300 . 1 . . . . 40 ARG CD . 11380 1 394 . 1 1 40 40 ARG CG C 13 26.767 0.300 . 1 . . . . 40 ARG CG . 11380 1 395 . 1 1 40 40 ARG N N 15 122.964 0.300 . 1 . . . . 40 ARG N . 11380 1 396 . 1 1 41 41 PRO HA H 1 4.365 0.030 . 1 . . . . 41 PRO HA . 11380 1 397 . 1 1 41 41 PRO HB2 H 1 2.229 0.030 . 2 . . . . 41 PRO HB2 . 11380 1 398 . 1 1 41 41 PRO HB3 H 1 1.800 0.030 . 2 . . . . 41 PRO HB3 . 11380 1 399 . 1 1 41 41 PRO HD2 H 1 3.565 0.030 . 2 . . . . 41 PRO HD2 . 11380 1 400 . 1 1 41 41 PRO HD3 H 1 3.740 0.030 . 2 . . . . 41 PRO HD3 . 11380 1 401 . 1 1 41 41 PRO HG2 H 1 1.954 0.030 . 1 . . . . 41 PRO HG2 . 11380 1 402 . 1 1 41 41 PRO HG3 H 1 1.954 0.030 . 1 . . . . 41 PRO HG3 . 11380 1 403 . 1 1 41 41 PRO C C 13 176.405 0.300 . 1 . . . . 41 PRO C . 11380 1 404 . 1 1 41 41 PRO CA C 13 63.143 0.300 . 1 . . . . 41 PRO CA . 11380 1 405 . 1 1 41 41 PRO CB C 13 32.116 0.300 . 1 . . . . 41 PRO CB . 11380 1 406 . 1 1 41 41 PRO CD C 13 50.568 0.300 . 1 . . . . 41 PRO CD . 11380 1 407 . 1 1 41 41 PRO CG C 13 27.397 0.300 . 1 . . . . 41 PRO CG . 11380 1 408 . 1 1 42 42 HIS H H 1 8.501 0.030 . 1 . . . . 42 HIS H . 11380 1 409 . 1 1 42 42 HIS HA H 1 4.538 0.030 . 1 . . . . 42 HIS HA . 11380 1 410 . 1 1 42 42 HIS HB2 H 1 3.063 0.030 . 1 . . . . 42 HIS HB2 . 11380 1 411 . 1 1 42 42 HIS HB3 H 1 3.063 0.030 . 1 . . . . 42 HIS HB3 . 11380 1 412 . 1 1 42 42 HIS CA C 13 56.290 0.300 . 1 . . . . 42 HIS CA . 11380 1 413 . 1 1 42 42 HIS CB C 13 30.792 0.300 . 1 . . . . 42 HIS CB . 11380 1 414 . 1 1 42 42 HIS N N 15 120.736 0.300 . 1 . . . . 42 HIS N . 11380 1 415 . 1 1 43 43 LYS H H 1 8.057 0.030 . 1 . . . . 43 LYS H . 11380 1 416 . 1 1 43 43 LYS HA H 1 4.335 0.030 . 1 . . . . 43 LYS HA . 11380 1 417 . 1 1 43 43 LYS HB2 H 1 1.626 0.030 . 2 . . . . 43 LYS HB2 . 11380 1 418 . 1 1 43 43 LYS HB3 H 1 1.534 0.030 . 2 . . . . 43 LYS HB3 . 11380 1 419 . 1 1 43 43 LYS HD2 H 1 1.595 0.030 . 1 . . . . 43 LYS HD2 . 11380 1 420 . 1 1 43 43 LYS HD3 H 1 1.595 0.030 . 1 . . . . 43 LYS HD3 . 11380 1 421 . 1 1 43 43 LYS HE2 H 1 2.888 0.030 . 1 . . . . 43 LYS HE2 . 11380 1 422 . 1 1 43 43 LYS HE3 H 1 2.888 0.030 . 1 . . . . 43 LYS HE3 . 11380 1 423 . 1 1 43 43 LYS HG2 H 1 1.294 0.030 . 2 . . . . 43 LYS HG2 . 11380 1 424 . 1 1 43 43 LYS HG3 H 1 1.209 0.030 . 2 . . . . 43 LYS HG3 . 11380 1 425 . 1 1 43 43 LYS CA C 13 54.931 0.300 . 1 . . . . 43 LYS CA . 11380 1 426 . 1 1 43 43 LYS CB C 13 33.780 0.300 . 1 . . . . 43 LYS CB . 11380 1 427 . 1 1 43 43 LYS CD C 13 29.051 0.300 . 1 . . . . 43 LYS CD . 11380 1 428 . 1 1 43 43 LYS CE C 13 42.064 0.300 . 1 . . . . 43 LYS CE . 11380 1 429 . 1 1 43 43 LYS CG C 13 24.538 0.300 . 1 . . . . 43 LYS CG . 11380 1 430 . 1 1 43 43 LYS N N 15 121.316 0.300 . 1 . . . . 43 LYS N . 11380 1 431 . 1 1 45 45 GLN H H 1 8.369 0.030 . 1 . . . . 45 GLN H . 11380 1 432 . 1 1 45 45 GLN HA H 1 4.229 0.030 . 1 . . . . 45 GLN HA . 11380 1 433 . 1 1 45 45 GLN HB2 H 1 1.873 0.030 . 1 . . . . 45 GLN HB2 . 11380 1 434 . 1 1 45 45 GLN HB3 H 1 1.873 0.030 . 1 . . . . 45 GLN HB3 . 11380 1 435 . 1 1 45 45 GLN HE21 H 1 7.376 0.030 . 2 . . . . 45 GLN HE21 . 11380 1 436 . 1 1 45 45 GLN HE22 H 1 6.818 0.030 . 2 . . . . 45 GLN HE22 . 11380 1 437 . 1 1 45 45 GLN HG2 H 1 2.178 0.030 . 1 . . . . 45 GLN HG2 . 11380 1 438 . 1 1 45 45 GLN HG3 H 1 2.178 0.030 . 1 . . . . 45 GLN HG3 . 11380 1 439 . 1 1 45 45 GLN C C 13 175.314 0.300 . 1 . . . . 45 GLN C . 11380 1 440 . 1 1 45 45 GLN CA C 13 55.868 0.300 . 1 . . . . 45 GLN CA . 11380 1 441 . 1 1 45 45 GLN CB C 13 29.671 0.300 . 1 . . . . 45 GLN CB . 11380 1 442 . 1 1 45 45 GLN CG C 13 33.712 0.300 . 1 . . . . 45 GLN CG . 11380 1 443 . 1 1 45 45 GLN N N 15 121.279 0.300 . 1 . . . . 45 GLN N . 11380 1 444 . 1 1 45 45 GLN NE2 N 15 112.327 0.300 . 1 . . . . 45 GLN NE2 . 11380 1 445 . 1 1 46 46 VAL H H 1 8.051 0.030 . 1 . . . . 46 VAL H . 11380 1 446 . 1 1 46 46 VAL HA H 1 4.032 0.030 . 1 . . . . 46 VAL HA . 11380 1 447 . 1 1 46 46 VAL HB H 1 1.915 0.030 . 1 . . . . 46 VAL HB . 11380 1 448 . 1 1 46 46 VAL HG11 H 1 0.788 0.030 . 1 . . . . 46 VAL HG1 . 11380 1 449 . 1 1 46 46 VAL HG12 H 1 0.788 0.030 . 1 . . . . 46 VAL HG1 . 11380 1 450 . 1 1 46 46 VAL HG13 H 1 0.788 0.030 . 1 . . . . 46 VAL HG1 . 11380 1 451 . 1 1 46 46 VAL C C 13 175.442 0.300 . 1 . . . . 46 VAL C . 11380 1 452 . 1 1 46 46 VAL CA C 13 62.172 0.300 . 1 . . . . 46 VAL CA . 11380 1 453 . 1 1 46 46 VAL CB C 13 32.861 0.300 . 1 . . . . 46 VAL CB . 11380 1 454 . 1 1 46 46 VAL CG1 C 13 20.565 0.300 . 1 . . . . 46 VAL CG1 . 11380 1 455 . 1 1 46 46 VAL N N 15 120.954 0.300 . 1 . . . . 46 VAL N . 11380 1 456 . 1 1 47 47 TRP H H 1 8.179 0.030 . 1 . . . . 47 TRP H . 11380 1 457 . 1 1 47 47 TRP HA H 1 4.659 0.030 . 1 . . . . 47 TRP HA . 11380 1 458 . 1 1 47 47 TRP HB2 H 1 3.176 0.030 . 2 . . . . 47 TRP HB2 . 11380 1 459 . 1 1 47 47 TRP HB3 H 1 3.068 0.030 . 2 . . . . 47 TRP HB3 . 11380 1 460 . 1 1 47 47 TRP HD1 H 1 7.120 0.030 . 1 . . . . 47 TRP HD1 . 11380 1 461 . 1 1 47 47 TRP HE1 H 1 10.008 0.030 . 1 . . . . 47 TRP HE1 . 11380 1 462 . 1 1 47 47 TRP HE3 H 1 7.508 0.030 . 1 . . . . 47 TRP HE3 . 11380 1 463 . 1 1 47 47 TRP HH2 H 1 7.149 0.030 . 1 . . . . 47 TRP HH2 . 11380 1 464 . 1 1 47 47 TRP HZ2 H 1 7.402 0.030 . 1 . . . . 47 TRP HZ2 . 11380 1 465 . 1 1 47 47 TRP HZ3 H 1 7.075 0.030 . 1 . . . . 47 TRP HZ3 . 11380 1 466 . 1 1 47 47 TRP C C 13 175.723 0.300 . 1 . . . . 47 TRP C . 11380 1 467 . 1 1 47 47 TRP CA C 13 57.106 0.300 . 1 . . . . 47 TRP CA . 11380 1 468 . 1 1 47 47 TRP CB C 13 29.822 0.300 . 1 . . . . 47 TRP CB . 11380 1 469 . 1 1 47 47 TRP CD1 C 13 126.996 0.300 . 1 . . . . 47 TRP CD1 . 11380 1 470 . 1 1 47 47 TRP CE3 C 13 120.870 0.300 . 1 . . . . 47 TRP CE3 . 11380 1 471 . 1 1 47 47 TRP CH2 C 13 124.469 0.300 . 1 . . . . 47 TRP CH2 . 11380 1 472 . 1 1 47 47 TRP CZ2 C 13 114.472 0.300 . 1 . . . . 47 TRP CZ2 . 11380 1 473 . 1 1 47 47 TRP CZ3 C 13 121.934 0.300 . 1 . . . . 47 TRP CZ3 . 11380 1 474 . 1 1 47 47 TRP N N 15 125.087 0.300 . 1 . . . . 47 TRP N . 11380 1 475 . 1 1 47 47 TRP NE1 N 15 129.279 0.300 . 1 . . . . 47 TRP NE1 . 11380 1 476 . 1 1 48 48 VAL H H 1 7.896 0.030 . 1 . . . . 48 VAL H . 11380 1 477 . 1 1 48 48 VAL HA H 1 4.032 0.030 . 1 . . . . 48 VAL HA . 11380 1 478 . 1 1 48 48 VAL HB H 1 1.921 0.030 . 1 . . . . 48 VAL HB . 11380 1 479 . 1 1 48 48 VAL HG11 H 1 0.811 0.030 . 1 . . . . 48 VAL HG1 . 11380 1 480 . 1 1 48 48 VAL HG12 H 1 0.811 0.030 . 1 . . . . 48 VAL HG1 . 11380 1 481 . 1 1 48 48 VAL HG13 H 1 0.811 0.030 . 1 . . . . 48 VAL HG1 . 11380 1 482 . 1 1 48 48 VAL HG21 H 1 0.753 0.030 . 1 . . . . 48 VAL HG2 . 11380 1 483 . 1 1 48 48 VAL HG22 H 1 0.753 0.030 . 1 . . . . 48 VAL HG2 . 11380 1 484 . 1 1 48 48 VAL HG23 H 1 0.753 0.030 . 1 . . . . 48 VAL HG2 . 11380 1 485 . 1 1 48 48 VAL C C 13 175.477 0.300 . 1 . . . . 48 VAL C . 11380 1 486 . 1 1 48 48 VAL CA C 13 62.305 0.300 . 1 . . . . 48 VAL CA . 11380 1 487 . 1 1 48 48 VAL CB C 13 33.103 0.300 . 1 . . . . 48 VAL CB . 11380 1 488 . 1 1 48 48 VAL CG1 C 13 20.976 0.300 . 2 . . . . 48 VAL CG1 . 11380 1 489 . 1 1 48 48 VAL CG2 C 13 20.996 0.300 . 2 . . . . 48 VAL CG2 . 11380 1 490 . 1 1 48 48 VAL N N 15 122.528 0.300 . 1 . . . . 48 VAL N . 11380 1 491 . 1 1 49 49 SER H H 1 8.133 0.030 . 1 . . . . 49 SER H . 11380 1 492 . 1 1 49 49 SER HA H 1 4.283 0.030 . 1 . . . . 49 SER HA . 11380 1 493 . 1 1 49 49 SER HB2 H 1 3.765 0.030 . 1 . . . . 49 SER HB2 . 11380 1 494 . 1 1 49 49 SER HB3 H 1 3.765 0.030 . 1 . . . . 49 SER HB3 . 11380 1 495 . 1 1 49 49 SER C C 13 174.406 0.300 . 1 . . . . 49 SER C . 11380 1 496 . 1 1 49 49 SER CA C 13 58.153 0.300 . 1 . . . . 49 SER CA . 11380 1 497 . 1 1 49 49 SER CB C 13 64.013 0.300 . 1 . . . . 49 SER CB . 11380 1 498 . 1 1 49 49 SER N N 15 118.775 0.300 . 1 . . . . 49 SER N . 11380 1 499 . 1 1 50 50 GLY H H 1 8.115 0.030 . 1 . . . . 50 GLY H . 11380 1 500 . 1 1 50 50 GLY HA2 H 1 4.061 0.030 . 2 . . . . 50 GLY HA2 . 11380 1 501 . 1 1 50 50 GLY HA3 H 1 4.010 0.030 . 2 . . . . 50 GLY HA3 . 11380 1 502 . 1 1 50 50 GLY C C 13 171.651 0.300 . 1 . . . . 50 GLY C . 11380 1 503 . 1 1 50 50 GLY CA C 13 44.643 0.300 . 1 . . . . 50 GLY CA . 11380 1 504 . 1 1 50 50 GLY N N 15 110.717 0.300 . 1 . . . . 50 GLY N . 11380 1 505 . 1 1 51 51 PRO HA H 1 4.377 0.030 . 1 . . . . 51 PRO HA . 11380 1 506 . 1 1 51 51 PRO HB2 H 1 2.225 0.030 . 2 . . . . 51 PRO HB2 . 11380 1 507 . 1 1 51 51 PRO HB3 H 1 1.919 0.030 . 2 . . . . 51 PRO HB3 . 11380 1 508 . 1 1 51 51 PRO HD2 H 1 3.542 0.030 . 1 . . . . 51 PRO HD2 . 11380 1 509 . 1 1 51 51 PRO HD3 H 1 3.542 0.030 . 1 . . . . 51 PRO HD3 . 11380 1 510 . 1 1 51 51 PRO HG2 H 1 1.951 0.030 . 1 . . . . 51 PRO HG2 . 11380 1 511 . 1 1 51 51 PRO HG3 H 1 1.951 0.030 . 1 . . . . 51 PRO HG3 . 11380 1 512 . 1 1 51 51 PRO C C 13 177.290 0.300 . 1 . . . . 51 PRO C . 11380 1 513 . 1 1 51 51 PRO CA C 13 63.150 0.300 . 1 . . . . 51 PRO CA . 11380 1 514 . 1 1 51 51 PRO CB C 13 32.144 0.300 . 1 . . . . 51 PRO CB . 11380 1 515 . 1 1 51 51 PRO CD C 13 49.755 0.300 . 1 . . . . 51 PRO CD . 11380 1 516 . 1 1 51 51 PRO CG C 13 27.268 0.300 . 1 . . . . 51 PRO CG . 11380 1 517 . 1 1 52 52 SER H H 1 8.452 0.030 . 1 . . . . 52 SER H . 11380 1 518 . 1 1 52 52 SER C C 13 174.614 0.300 . 1 . . . . 52 SER C . 11380 1 519 . 1 1 52 52 SER CA C 13 58.391 0.300 . 1 . . . . 52 SER CA . 11380 1 520 . 1 1 52 52 SER CB C 13 64.042 0.300 . 1 . . . . 52 SER CB . 11380 1 521 . 1 1 52 52 SER N N 15 116.292 0.300 . 1 . . . . 52 SER N . 11380 1 stop_ save_