data_17396 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17396 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for FCS domain from human polyhomeotic homolog 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-06 _Entry.Accession_date 2011-01-06 _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 Udayar Ilangovan . . . 17396 2 Chongwoo Kim . . . 17396 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17396 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 198 17396 '15N chemical shifts' 46 17396 '1H chemical shifts' 306 17396 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-06-01 2011-01-06 update BMRB 'update entry citation' 17396 1 . . 2011-05-19 2011-01-06 original author 'original release' 17396 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L8E 'BMRB Entry Tracking System' 17396 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17396 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21351738 _Citation.Full_citation . _Citation.Title 'Identification of Nucleic Acid Binding Residues in the FCS Domain of the Polycomb Group Protein Polyhomeotic.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 50 _Citation.Journal_issue 22 _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 4998 _Citation.Page_last 5007 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Renjing Wang . . . 17396 1 2 Udayar Ilangovan . . . 17396 1 3 Belinda Leal . Z. . 17396 1 4 Angela Robinson . K. . 17396 1 5 Barbara Amann . T. . 17396 1 6 Corey Tong . V. . 17396 1 7 Jeremy Berg . M. . 17396 1 8 Andrew Hinck . P. . 17396 1 9 Chongwoo Kim . A. . 17396 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17396 _Assembly.ID 1 _Assembly.Name 'Zn bound FCS domain of hPh1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 5480 _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 'Zn bound FCS domain of hPh1' 1 $Zn_bound_FCS_domain_of_hPh1 A . yes native no no . . . 17396 1 2 'zinc ion' 2 $ZN A . no native no no . . . 17396 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Zn_bound_FCS_domain_of_hPh1 _Entity.Sf_category entity _Entity.Sf_framecode Zn_bound_FCS_domain_of_hPh1 _Entity.Entry_ID 17396 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FCS_domain_of_hPh1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GTRGVDSPSAELDKKANLLK CEYCGKYAPAEQFRGSKRFC SMTCAKRYN ; _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 49 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-11-25 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 2L8E . "Solution Nmr Structure Of Fcs Domain Of Human Polyhomeotic Homolog 1 (Hph1)" . . . . . 100.00 49 100.00 100.00 1.19e-26 . . . . 17396 1 2 no REF XP_004717481 . "PREDICTED: polyhomeotic-like protein 1 [Echinops telfairi]" . . . . . 93.88 995 97.83 97.83 3.91e-22 . . . . 17396 1 3 no REF XP_004717482 . "PREDICTED: polyhomeotic-like protein 1 [Echinops telfairi]" . . . . . 93.88 995 97.83 97.83 3.91e-22 . . . . 17396 1 4 no REF XP_006069838 . "PREDICTED: polyhomeotic-like protein 1 isoform X1 [Bubalus bubalis]" . . . . . 89.80 1018 100.00 100.00 6.86e-22 . . . . 17396 1 5 no REF XP_006069839 . "PREDICTED: polyhomeotic-like protein 1 isoform X2 [Bubalus bubalis]" . . . . . 89.80 1015 100.00 100.00 5.69e-22 . . . . 17396 1 6 no REF XP_006069840 . "PREDICTED: polyhomeotic-like protein 1 isoform X3 [Bubalus bubalis]" . . . . . 89.80 1010 100.00 100.00 7.58e-22 . . . . 17396 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 1 780 GLY . 17396 1 2 781 THR . 17396 1 3 782 ARG . 17396 1 4 783 GLY . 17396 1 5 784 VAL . 17396 1 6 785 ASP . 17396 1 7 786 SER . 17396 1 8 787 PRO . 17396 1 9 788 SER . 17396 1 10 789 ALA . 17396 1 11 790 GLU . 17396 1 12 791 LEU . 17396 1 13 792 ASP . 17396 1 14 793 LYS . 17396 1 15 794 LYS . 17396 1 16 795 ALA . 17396 1 17 796 ASN . 17396 1 18 797 LEU . 17396 1 19 798 LEU . 17396 1 20 799 LYS . 17396 1 21 800 CYS . 17396 1 22 801 GLU . 17396 1 23 802 TYR . 17396 1 24 803 CYS . 17396 1 25 804 GLY . 17396 1 26 805 LYS . 17396 1 27 806 TYR . 17396 1 28 807 ALA . 17396 1 29 808 PRO . 17396 1 30 809 ALA . 17396 1 31 810 GLU . 17396 1 32 811 GLN . 17396 1 33 812 PHE . 17396 1 34 813 ARG . 17396 1 35 814 GLY . 17396 1 36 815 SER . 17396 1 37 816 LYS . 17396 1 38 817 ARG . 17396 1 39 818 PHE . 17396 1 40 819 CYS . 17396 1 41 820 SER . 17396 1 42 821 MET . 17396 1 43 822 THR . 17396 1 44 823 CYS . 17396 1 45 824 ALA . 17396 1 46 825 LYS . 17396 1 47 826 ARG . 17396 1 48 827 TYR . 17396 1 49 828 ASN . 17396 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 17396 1 . THR 2 2 17396 1 . ARG 3 3 17396 1 . GLY 4 4 17396 1 . VAL 5 5 17396 1 . ASP 6 6 17396 1 . SER 7 7 17396 1 . PRO 8 8 17396 1 . SER 9 9 17396 1 . ALA 10 10 17396 1 . GLU 11 11 17396 1 . LEU 12 12 17396 1 . ASP 13 13 17396 1 . LYS 14 14 17396 1 . LYS 15 15 17396 1 . ALA 16 16 17396 1 . ASN 17 17 17396 1 . LEU 18 18 17396 1 . LEU 19 19 17396 1 . LYS 20 20 17396 1 . CYS 21 21 17396 1 . GLU 22 22 17396 1 . TYR 23 23 17396 1 . CYS 24 24 17396 1 . GLY 25 25 17396 1 . LYS 26 26 17396 1 . TYR 27 27 17396 1 . ALA 28 28 17396 1 . PRO 29 29 17396 1 . ALA 30 30 17396 1 . GLU 31 31 17396 1 . GLN 32 32 17396 1 . PHE 33 33 17396 1 . ARG 34 34 17396 1 . GLY 35 35 17396 1 . SER 36 36 17396 1 . LYS 37 37 17396 1 . ARG 38 38 17396 1 . PHE 39 39 17396 1 . CYS 40 40 17396 1 . SER 41 41 17396 1 . MET 42 42 17396 1 . THR 43 43 17396 1 . CYS 44 44 17396 1 . ALA 45 45 17396 1 . LYS 46 46 17396 1 . ARG 47 47 17396 1 . TYR 48 48 17396 1 . ASN 49 49 17396 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 17396 _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 . 17396 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 17396 _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 $Zn_bound_FCS_domain_of_hPh1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'human polyhomeotic homolog 1' . . . . 17396 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 17396 _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 $Zn_bound_FCS_domain_of_hPh1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 Gold DE3' . . . . . . . . . . . . . . . pET . . . . . . 17396 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 17396 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _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 Fri Dec 9 11:09:24 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 17396 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 17396 ZN [Zn++] SMILES CACTVS 3.341 17396 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 17396 ZN [Zn+2] SMILES ACDLabs 10.04 17396 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 17396 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17396 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 17396 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17396 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 . 17396 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17396 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Zn bound FCS domain of hPh1' '[U-100% 15N]' . . 1 $Zn_bound_FCS_domain_of_hPh1 . . 1.5 . . mM . . . . 17396 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17396 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17396 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17396 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Zn bound FCS domain of hPh1' '[U-95% 13C; U-95% 15N]' . . 1 $Zn_bound_FCS_domain_of_hPh1 . . 1.5 . . mM . . . . 17396 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17396 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17396 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17396 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Zn bound FCS domain of hPh1' '[U-10% 13C; U-99% 15N]' . . 1 $Zn_bound_FCS_domain_of_hPh1 . . 1.5 . . mM . . . . 17396 3 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17396 3 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17396 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17396 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.050 . M 17396 1 pH 6.0 . pH 17396 1 pressure 1 . atm 17396 1 temperature 300 . K 17396 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17396 _Software.ID 1 _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' . . 17396 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17396 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17396 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17396 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17396 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17396 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17396 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17396 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17396 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17396 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 17396 _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 . 600 . . . 17396 1 2 spectrometer_2 Bruker Avance . 700 . . . 17396 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 17396 _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 . . . . . . . . . . . . . . . . . . . . . 17396 1 2 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17396 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17396 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17396 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17396 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17396 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17396 1 8 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17396 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17396 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 17396 _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 . indirect 0.251449530 . . . . . . . . . 17396 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17396 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17396 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17396 _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' . . . 17396 1 2 '3D HNHA' . . . 17396 1 4 '3D 1H-15N TOCSY' . . . 17396 1 5 '2D 1H-13C HSQC' . . . 17396 1 6 '3D CBCA(CO)NH' . . . 17396 1 7 '3D HNCACB' . . . 17396 1 8 '3D C(CO)NH' . . . 17396 1 9 '3D HCCH-TOCSY' . . . 17396 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 5 5 VAL H H 1 8.015 . . 1 . . . . 784 VAL HN . 17396 1 2 . 1 1 5 5 VAL HA H 1 4.128 . . 1 . . . . 784 VAL HA . 17396 1 3 . 1 1 5 5 VAL HB H 1 2.071 . . 1 . . . . 784 VAL HB . 17396 1 4 . 1 1 5 5 VAL HG11 H 1 0.916 . . 1 . . . . 784 VAL HG11 . 17396 1 5 . 1 1 5 5 VAL HG12 H 1 0.916 . . 1 . . . . 784 VAL HG12 . 17396 1 6 . 1 1 5 5 VAL HG13 H 1 0.916 . . 1 . . . . 784 VAL HG13 . 17396 1 7 . 1 1 5 5 VAL HG21 H 1 0.883 . . 1 . . . . 784 VAL HG21 . 17396 1 8 . 1 1 5 5 VAL HG22 H 1 0.883 . . 1 . . . . 784 VAL HG22 . 17396 1 9 . 1 1 5 5 VAL HG23 H 1 0.883 . . 1 . . . . 784 VAL HG23 . 17396 1 10 . 1 1 5 5 VAL C C 13 175.989 . . 1 . . . . 784 VAL C . 17396 1 11 . 1 1 5 5 VAL CA C 13 62.245 . . 1 . . . . 784 VAL CA . 17396 1 12 . 1 1 5 5 VAL CB C 13 32.778 . . 1 . . . . 784 VAL CB . 17396 1 13 . 1 1 5 5 VAL CG1 C 13 21.150 . . 1 . . . . 784 VAL CG1 . 17396 1 14 . 1 1 5 5 VAL CG2 C 13 20.132 . . 1 . . . . 784 VAL CG2 . 17396 1 15 . 1 1 5 5 VAL N N 15 118.940 . . 1 . . . . 784 VAL N . 17396 1 16 . 1 1 6 6 ASP H H 1 8.401 . . 1 . . . . 785 ASP HN . 17396 1 17 . 1 1 6 6 ASP HA H 1 4.622 . . 1 . . . . 785 ASP HA . 17396 1 18 . 1 1 6 6 ASP HB2 H 1 2.568 . . 1 . . . . 785 ASP HB1 . 17396 1 19 . 1 1 6 6 ASP HB3 H 1 2.664 . . 1 . . . . 785 ASP HB2 . 17396 1 20 . 1 1 6 6 ASP C C 13 175.883 . . 1 . . . . 785 ASP C . 17396 1 21 . 1 1 6 6 ASP CA C 13 54.328 . . 1 . . . . 785 ASP CA . 17396 1 22 . 1 1 6 6 ASP CB C 13 41.342 . . 1 . . . . 785 ASP CB . 17396 1 23 . 1 1 6 6 ASP N N 15 123.500 . . 1 . . . . 785 ASP N . 17396 1 24 . 1 1 7 7 SER H H 1 8.144 . . 1 . . . . 786 SER HN . 17396 1 25 . 1 1 7 7 SER HA H 1 4.725 . . 1 . . . . 786 SER HA . 17396 1 26 . 1 1 7 7 SER HB2 H 1 3.825 . . 1 . . . . 786 SER HB1 . 17396 1 27 . 1 1 7 7 SER HB3 H 1 3.825 . . 1 . . . . 786 SER HB2 . 17396 1 28 . 1 1 7 7 SER CA C 13 56.554 . . 1 . . . . 786 SER CA . 17396 1 29 . 1 1 7 7 SER CB C 13 63.587 . . 1 . . . . 786 SER CB . 17396 1 30 . 1 1 7 7 SER N N 15 116.940 . . 1 . . . . 786 SER N . 17396 1 31 . 1 1 8 8 PRO HA H 1 4.436 . . 1 . . . . 787 PRO HA . 17396 1 32 . 1 1 8 8 PRO HB2 H 1 1.925 . . 1 . . . . 787 PRO HB1 . 17396 1 33 . 1 1 8 8 PRO HB3 H 1 2.290 . . 1 . . . . 787 PRO HB2 . 17396 1 34 . 1 1 8 8 PRO HG2 H 1 2.004 . . 1 . . . . 787 PRO HG1 . 17396 1 35 . 1 1 8 8 PRO HG3 H 1 2.004 . . 1 . . . . 787 PRO HG2 . 17396 1 36 . 1 1 8 8 PRO HD2 H 1 3.789 . . 1 . . . . 787 PRO HD1 . 17396 1 37 . 1 1 8 8 PRO HD3 H 1 3.709 . . 1 . . . . 787 PRO HD2 . 17396 1 38 . 1 1 8 8 PRO C C 13 177.262 . . 1 . . . . 787 PRO C . 17396 1 39 . 1 1 8 8 PRO CA C 13 63.651 . . 1 . . . . 787 PRO CA . 17396 1 40 . 1 1 8 8 PRO CB C 13 32.114 . . 1 . . . . 787 PRO CB . 17396 1 41 . 1 1 8 8 PRO CG C 13 27.276 . . 1 . . . . 787 PRO CG . 17396 1 42 . 1 1 8 8 PRO CD C 13 50.777 . . 1 . . . . 787 PRO CD . 17396 1 43 . 1 1 9 9 SER H H 1 8.313 . . 1 . . . . 788 SER HN . 17396 1 44 . 1 1 9 9 SER HA H 1 4.376 . . 1 . . . . 788 SER HA . 17396 1 45 . 1 1 9 9 SER HB2 H 1 3.825 . . 1 . . . . 788 SER HB1 . 17396 1 46 . 1 1 9 9 SER HB3 H 1 3.888 . . 1 . . . . 788 SER HB2 . 17396 1 47 . 1 1 9 9 SER C C 13 174.693 . . 1 . . . . 788 SER C . 17396 1 48 . 1 1 9 9 SER CA C 13 58.299 . . 1 . . . . 788 SER CA . 17396 1 49 . 1 1 9 9 SER CB C 13 63.725 . . 1 . . . . 788 SER CB . 17396 1 50 . 1 1 9 9 SER N N 15 115.749 . . 1 . . . . 788 SER N . 17396 1 51 . 1 1 10 10 ALA H H 1 8.304 . . 1 . . . . 789 ALA HN . 17396 1 52 . 1 1 10 10 ALA HA H 1 4.282 . . 1 . . . . 789 ALA HA . 17396 1 53 . 1 1 10 10 ALA HB1 H 1 1.388 . . 1 . . . . 789 ALA HB1 . 17396 1 54 . 1 1 10 10 ALA HB2 H 1 1.388 . . 1 . . . . 789 ALA HB2 . 17396 1 55 . 1 1 10 10 ALA HB3 H 1 1.388 . . 1 . . . . 789 ALA HB3 . 17396 1 56 . 1 1 10 10 ALA C C 13 178.083 . . 1 . . . . 789 ALA C . 17396 1 57 . 1 1 10 10 ALA CA C 13 52.987 . . 1 . . . . 789 ALA CA . 17396 1 58 . 1 1 10 10 ALA CB C 13 19.217 . . 1 . . . . 789 ALA CB . 17396 1 59 . 1 1 10 10 ALA N N 15 126.173 . . 1 . . . . 789 ALA N . 17396 1 60 . 1 1 11 11 GLU H H 1 8.271 . . 1 . . . . 790 GLU HN . 17396 1 61 . 1 1 11 11 GLU HA H 1 4.153 . . 1 . . . . 790 GLU HA . 17396 1 62 . 1 1 11 11 GLU HB2 H 1 2.013 . . 1 . . . . 790 GLU HB1 . 17396 1 63 . 1 1 11 11 GLU HB3 H 1 1.915 . . 1 . . . . 790 GLU HB2 . 17396 1 64 . 1 1 11 11 GLU HG2 H 1 2.244 . . 1 . . . . 790 GLU HG1 . 17396 1 65 . 1 1 11 11 GLU HG3 H 1 2.228 . . 1 . . . . 790 GLU HG2 . 17396 1 66 . 1 1 11 11 GLU C C 13 176.978 . . 1 . . . . 790 GLU C . 17396 1 67 . 1 1 11 11 GLU CA C 13 57.185 . . 1 . . . . 790 GLU CA . 17396 1 68 . 1 1 11 11 GLU CB C 13 29.958 . . 1 . . . . 790 GLU CB . 17396 1 69 . 1 1 11 11 GLU CG C 13 36.229 . . 1 . . . . 790 GLU CG . 17396 1 70 . 1 1 11 11 GLU N N 15 119.150 . . 1 . . . . 790 GLU N . 17396 1 71 . 1 1 12 12 LEU H H 1 8.041 . . 1 . . . . 791 LEU HN . 17396 1 72 . 1 1 12 12 LEU HA H 1 4.212 . . 1 . . . . 791 LEU HA . 17396 1 73 . 1 1 12 12 LEU HB2 H 1 1.550 . . 1 . . . . 791 LEU HB1 . 17396 1 74 . 1 1 12 12 LEU HB3 H 1 1.624 . . 1 . . . . 791 LEU HB2 . 17396 1 75 . 1 1 12 12 LEU HG H 1 1.621 . . 1 . . . . 791 LEU HG . 17396 1 76 . 1 1 12 12 LEU HD11 H 1 0.891 . . 1 . . . . 791 LEU HD11 . 17396 1 77 . 1 1 12 12 LEU HD12 H 1 0.891 . . 1 . . . . 791 LEU HD12 . 17396 1 78 . 1 1 12 12 LEU HD13 H 1 0.891 . . 1 . . . . 791 LEU HD13 . 17396 1 79 . 1 1 12 12 LEU HD21 H 1 0.831 . . 1 . . . . 791 LEU HD21 . 17396 1 80 . 1 1 12 12 LEU HD22 H 1 0.831 . . 1 . . . . 791 LEU HD22 . 17396 1 81 . 1 1 12 12 LEU HD23 H 1 0.831 . . 1 . . . . 791 LEU HD23 . 17396 1 82 . 1 1 12 12 LEU C C 13 177.525 . . 1 . . . . 791 LEU C . 17396 1 83 . 1 1 12 12 LEU CA C 13 55.790 . . 1 . . . . 791 LEU CA . 17396 1 84 . 1 1 12 12 LEU CB C 13 42.322 . . 1 . . . . 791 LEU CB . 17396 1 85 . 1 1 12 12 LEU CG C 13 26.960 . . 1 . . . . 791 LEU CG . 17396 1 86 . 1 1 12 12 LEU CD1 C 13 24.908 . . 1 . . . . 791 LEU CD1 . 17396 1 87 . 1 1 12 12 LEU CD2 C 13 23.330 . . 1 . . . . 791 LEU CD2 . 17396 1 88 . 1 1 12 12 LEU N N 15 122.066 . . 1 . . . . 791 LEU N . 17396 1 89 . 1 1 13 13 ASP H H 1 8.189 . . 1 . . . . 792 ASP HN . 17396 1 90 . 1 1 13 13 ASP HA H 1 4.508 . . 1 . . . . 792 ASP HA . 17396 1 91 . 1 1 13 13 ASP HB2 H 1 2.598 . . 1 . . . . 792 ASP HB1 . 17396 1 92 . 1 1 13 13 ASP HB3 H 1 2.668 . . 1 . . . . 792 ASP HB2 . 17396 1 93 . 1 1 13 13 ASP C C 13 176.659 . . 1 . . . . 792 ASP C . 17396 1 94 . 1 1 13 13 ASP CA C 13 54.617 . . 1 . . . . 792 ASP CA . 17396 1 95 . 1 1 13 13 ASP CB C 13 41.023 . . 1 . . . . 792 ASP CB . 17396 1 96 . 1 1 13 13 ASP N N 15 120.425 . . 1 . . . . 792 ASP N . 17396 1 97 . 1 1 14 14 LYS H H 1 8.060 . . 1 . . . . 793 LYS HN . 17396 1 98 . 1 1 14 14 LYS HA H 1 4.204 . . 1 . . . . 793 LYS HA . 17396 1 99 . 1 1 14 14 LYS HB2 H 1 1.740 . . 1 . . . . 793 LYS HB1 . 17396 1 100 . 1 1 14 14 LYS HB3 H 1 1.847 . . 1 . . . . 793 LYS HB2 . 17396 1 101 . 1 1 14 14 LYS HG2 H 1 1.212 . . 1 . . . . 793 LYS HG1 . 17396 1 102 . 1 1 14 14 LYS HG3 H 1 1.212 . . 1 . . . . 793 LYS HG2 . 17396 1 103 . 1 1 14 14 LYS HD2 H 1 1.649 . . 1 . . . . 793 LYS HD1 . 17396 1 104 . 1 1 14 14 LYS HD3 H 1 1.649 . . 1 . . . . 793 LYS HD2 . 17396 1 105 . 1 1 14 14 LYS HE2 H 1 2.956 . . 1 . . . . 793 LYS HE1 . 17396 1 106 . 1 1 14 14 LYS HE3 H 1 2.956 . . 1 . . . . 793 LYS HE2 . 17396 1 107 . 1 1 14 14 LYS C C 13 177.061 . . 1 . . . . 793 LYS C . 17396 1 108 . 1 1 14 14 LYS CA C 13 56.904 . . 1 . . . . 793 LYS CA . 17396 1 109 . 1 1 14 14 LYS CB C 13 32.651 . . 1 . . . . 793 LYS CB . 17396 1 110 . 1 1 14 14 LYS CG C 13 25.011 . . 1 . . . . 793 LYS CG . 17396 1 111 . 1 1 14 14 LYS CD C 13 29.072 . . 1 . . . . 793 LYS CD . 17396 1 112 . 1 1 14 14 LYS CE C 13 42.146 . . 1 . . . . 793 LYS CE . 17396 1 113 . 1 1 14 14 LYS N N 15 121.613 . . 1 . . . . 793 LYS N . 17396 1 114 . 1 1 15 15 LYS H H 1 8.161 . . 1 . . . . 794 LYS HN . 17396 1 115 . 1 1 15 15 LYS HA H 1 4.214 . . 1 . . . . 794 LYS HA . 17396 1 116 . 1 1 15 15 LYS HB2 H 1 1.801 . . 1 . . . . 794 LYS HB1 . 17396 1 117 . 1 1 15 15 LYS HB3 H 1 1.801 . . 1 . . . . 794 LYS HB2 . 17396 1 118 . 1 1 15 15 LYS HG2 H 1 1.362 . . 1 . . . . 794 LYS HG1 . 17396 1 119 . 1 1 15 15 LYS HG3 H 1 1.395 . . 1 . . . . 794 LYS HG2 . 17396 1 120 . 1 1 15 15 LYS HD2 H 1 1.556 . . 1 . . . . 794 LYS HD1 . 17396 1 121 . 1 1 15 15 LYS HD3 H 1 1.648 . . 1 . . . . 794 LYS HD2 . 17396 1 122 . 1 1 15 15 LYS HE2 H 1 2.960 . . 1 . . . . 794 LYS HE1 . 17396 1 123 . 1 1 15 15 LYS HE3 H 1 2.960 . . 1 . . . . 794 LYS HE2 . 17396 1 124 . 1 1 15 15 LYS C C 13 176.447 . . 1 . . . . 794 LYS C . 17396 1 125 . 1 1 15 15 LYS CA C 13 56.569 . . 1 . . . . 794 LYS CA . 17396 1 126 . 1 1 15 15 LYS CB C 13 32.651 . . 1 . . . . 794 LYS CB . 17396 1 127 . 1 1 15 15 LYS CG C 13 24.883 . . 1 . . . . 794 LYS CG . 17396 1 128 . 1 1 15 15 LYS CD C 13 29.012 . . 1 . . . . 794 LYS CD . 17396 1 129 . 1 1 15 15 LYS CE C 13 42.112 . . 1 . . . . 794 LYS CE . 17396 1 130 . 1 1 15 15 LYS N N 15 120.910 . . 1 . . . . 794 LYS N . 17396 1 131 . 1 1 16 16 ALA H H 1 8.001 . . 1 . . . . 795 ALA HN . 17396 1 132 . 1 1 16 16 ALA HA H 1 4.257 . . 1 . . . . 795 ALA HA . 17396 1 133 . 1 1 16 16 ALA HB1 H 1 1.354 . . 1 . . . . 795 ALA HB1 . 17396 1 134 . 1 1 16 16 ALA HB2 H 1 1.354 . . 1 . . . . 795 ALA HB2 . 17396 1 135 . 1 1 16 16 ALA HB3 H 1 1.354 . . 1 . . . . 795 ALA HB3 . 17396 1 136 . 1 1 16 16 ALA C C 13 177.268 . . 1 . . . . 795 ALA C . 17396 1 137 . 1 1 16 16 ALA CA C 13 52.739 . . 1 . . . . 795 ALA CA . 17396 1 138 . 1 1 16 16 ALA CB C 13 19.328 . . 1 . . . . 795 ALA CB . 17396 1 139 . 1 1 16 16 ALA N N 15 123.620 . . 1 . . . . 795 ALA N . 17396 1 140 . 1 1 17 17 ASN H H 1 8.368 . . 1 . . . . 796 ASN HN . 17396 1 141 . 1 1 17 17 ASN HA H 1 4.659 . . 1 . . . . 796 ASN HA . 17396 1 142 . 1 1 17 17 ASN HB2 H 1 2.866 . . 1 . . . . 796 ASN HB1 . 17396 1 143 . 1 1 17 17 ASN HB3 H 1 2.739 . . 1 . . . . 796 ASN HB2 . 17396 1 144 . 1 1 17 17 ASN HD21 H 1 6.913 . . 1 . . . . 796 ASN HD21 . 17396 1 145 . 1 1 17 17 ASN HD22 H 1 7.579 . . 1 . . . . 796 ASN HD22 . 17396 1 146 . 1 1 17 17 ASN C C 13 174.369 . . 1 . . . . 796 ASN C . 17396 1 147 . 1 1 17 17 ASN CA C 13 53.364 . . 1 . . . . 796 ASN CA . 17396 1 148 . 1 1 17 17 ASN CB C 13 38.557 . . 1 . . . . 796 ASN CB . 17396 1 149 . 1 1 17 17 ASN N N 15 117.541 . . 1 . . . . 796 ASN N . 17396 1 150 . 1 1 17 17 ASN ND2 N 15 112.641 . . 1 . . . . 796 ASN ND2 . 17396 1 151 . 1 1 18 18 LEU H H 1 7.970 . . 1 . . . . 797 LEU HN . 17396 1 152 . 1 1 18 18 LEU HA H 1 4.693 . . 1 . . . . 797 LEU HA . 17396 1 153 . 1 1 18 18 LEU HB2 H 1 1.305 . . 1 . . . . 797 LEU HB1 . 17396 1 154 . 1 1 18 18 LEU HB3 H 1 1.682 . . 1 . . . . 797 LEU HB2 . 17396 1 155 . 1 1 18 18 LEU HG H 1 1.550 . . 1 . . . . 797 LEU HG . 17396 1 156 . 1 1 18 18 LEU HD11 H 1 0.737 . . 1 . . . . 797 LEU HD11 . 17396 1 157 . 1 1 18 18 LEU HD12 H 1 0.737 . . 1 . . . . 797 LEU HD12 . 17396 1 158 . 1 1 18 18 LEU HD13 H 1 0.737 . . 1 . . . . 797 LEU HD13 . 17396 1 159 . 1 1 18 18 LEU HD21 H 1 0.644 . . 1 . . . . 797 LEU HD21 . 17396 1 160 . 1 1 18 18 LEU HD22 H 1 0.644 . . 1 . . . . 797 LEU HD22 . 17396 1 161 . 1 1 18 18 LEU HD23 H 1 0.644 . . 1 . . . . 797 LEU HD23 . 17396 1 162 . 1 1 18 18 LEU C C 13 176.402 . . 1 . . . . 797 LEU C . 17396 1 163 . 1 1 18 18 LEU CA C 13 54.283 . . 1 . . . . 797 LEU CA . 17396 1 164 . 1 1 18 18 LEU CB C 13 44.465 . . 1 . . . . 797 LEU CB . 17396 1 165 . 1 1 18 18 LEU CG C 13 26.958 . . 1 . . . . 797 LEU CG . 17396 1 166 . 1 1 18 18 LEU CD1 C 13 25.513 . . 1 . . . . 797 LEU CD1 . 17396 1 167 . 1 1 18 18 LEU CD2 C 13 22.719 . . 1 . . . . 797 LEU CD2 . 17396 1 168 . 1 1 18 18 LEU N N 15 121.306 . . 1 . . . . 797 LEU N . 17396 1 169 . 1 1 19 19 LEU H H 1 8.575 . . 1 . . . . 798 LEU HN . 17396 1 170 . 1 1 19 19 LEU HA H 1 4.474 . . 1 . . . . 798 LEU HA . 17396 1 171 . 1 1 19 19 LEU HB2 H 1 0.490 . . 1 . . . . 798 LEU HB1 . 17396 1 172 . 1 1 19 19 LEU HB3 H 1 0.710 . . 1 . . . . 798 LEU HB2 . 17396 1 173 . 1 1 19 19 LEU HG H 1 1.143 . . 1 . . . . 798 LEU HG . 17396 1 174 . 1 1 19 19 LEU HD11 H 1 0.494 . . 1 . . . . 798 LEU HD11 . 17396 1 175 . 1 1 19 19 LEU HD12 H 1 0.494 . . 1 . . . . 798 LEU HD12 . 17396 1 176 . 1 1 19 19 LEU HD13 H 1 0.494 . . 1 . . . . 798 LEU HD13 . 17396 1 177 . 1 1 19 19 LEU HD21 H 1 0.671 . . 1 . . . . 798 LEU HD21 . 17396 1 178 . 1 1 19 19 LEU HD22 H 1 0.671 . . 1 . . . . 798 LEU HD22 . 17396 1 179 . 1 1 19 19 LEU HD23 H 1 0.671 . . 1 . . . . 798 LEU HD23 . 17396 1 180 . 1 1 19 19 LEU C C 13 174.224 . . 1 . . . . 798 LEU C . 17396 1 181 . 1 1 19 19 LEU CA C 13 53.452 . . 1 . . . . 798 LEU CA . 17396 1 182 . 1 1 19 19 LEU CB C 13 43.858 . . 1 . . . . 798 LEU CB . 17396 1 183 . 1 1 19 19 LEU CG C 13 26.799 . . 1 . . . . 798 LEU CG . 17396 1 184 . 1 1 19 19 LEU CD1 C 13 25.249 . . 1 . . . . 798 LEU CD1 . 17396 1 185 . 1 1 19 19 LEU CD2 C 13 23.070 . . 1 . . . . 798 LEU CD2 . 17396 1 186 . 1 1 19 19 LEU N N 15 122.450 . . 1 . . . . 798 LEU N . 17396 1 187 . 1 1 20 20 LYS H H 1 7.940 . . 1 . . . . 799 LYS HN . 17396 1 188 . 1 1 20 20 LYS HA H 1 4.142 . . 1 . . . . 799 LYS HA . 17396 1 189 . 1 1 20 20 LYS HB2 H 1 0.835 . . 1 . . . . 799 LYS HB1 . 17396 1 190 . 1 1 20 20 LYS HB3 H 1 1.326 . . 1 . . . . 799 LYS HB2 . 17396 1 191 . 1 1 20 20 LYS HG2 H 1 0.400 . . 1 . . . . 799 LYS HG1 . 17396 1 192 . 1 1 20 20 LYS HG3 H 1 0.694 . . 1 . . . . 799 LYS HG2 . 17396 1 193 . 1 1 20 20 LYS HD2 H 1 1.386 . . 1 . . . . 799 LYS HD1 . 17396 1 194 . 1 1 20 20 LYS HD3 H 1 1.386 . . 1 . . . . 799 LYS HD2 . 17396 1 195 . 1 1 20 20 LYS HE2 H 1 2.806 . . 1 . . . . 799 LYS HE1 . 17396 1 196 . 1 1 20 20 LYS HE3 H 1 2.806 . . 1 . . . . 799 LYS HE2 . 17396 1 197 . 1 1 20 20 LYS C C 13 176.320 . . 1 . . . . 799 LYS C . 17396 1 198 . 1 1 20 20 LYS CA C 13 54.630 . . 1 . . . . 799 LYS CA . 17396 1 199 . 1 1 20 20 LYS CB C 13 34.170 . . 1 . . . . 799 LYS CB . 17396 1 200 . 1 1 20 20 LYS CG C 13 24.469 . . 1 . . . . 799 LYS CG . 17396 1 201 . 1 1 20 20 LYS CD C 13 29.349 . . 1 . . . . 799 LYS CD . 17396 1 202 . 1 1 20 20 LYS CE C 13 41.899 . . 1 . . . . 799 LYS CE . 17396 1 203 . 1 1 20 20 LYS N N 15 121.010 . . 1 . . . . 799 LYS N . 17396 1 204 . 1 1 21 21 CYS H H 1 8.870 . . 1 . . . . 800 CYS HN . 17396 1 205 . 1 1 21 21 CYS HA H 1 4.480 . . 1 . . . . 800 CYS HA . 17396 1 206 . 1 1 21 21 CYS HB2 H 1 2.839 . . 1 . . . . 800 CYS HB1 . 17396 1 207 . 1 1 21 21 CYS HB3 H 1 3.594 . . 1 . . . . 800 CYS HB2 . 17396 1 208 . 1 1 21 21 CYS C C 13 177.685 . . 1 . . . . 800 CYS C . 17396 1 209 . 1 1 21 21 CYS CA C 13 60.008 . . 1 . . . . 800 CYS CA . 17396 1 210 . 1 1 21 21 CYS CB C 13 31.822 . . 1 . . . . 800 CYS CB . 17396 1 211 . 1 1 21 21 CYS N N 15 129.824 . . 1 . . . . 800 CYS N . 17396 1 212 . 1 1 22 22 GLU H H 1 9.069 . . 1 . . . . 801 GLU HN . 17396 1 213 . 1 1 22 22 GLU HA H 1 3.995 . . 1 . . . . 801 GLU HA . 17396 1 214 . 1 1 22 22 GLU HB2 H 1 1.639 . . 1 . . . . 801 GLU HB1 . 17396 1 215 . 1 1 22 22 GLU HB3 H 1 1.896 . . 1 . . . . 801 GLU HB2 . 17396 1 216 . 1 1 22 22 GLU HG2 H 1 2.174 . . 1 . . . . 801 GLU HG1 . 17396 1 217 . 1 1 22 22 GLU HG3 H 1 2.357 . . 1 . . . . 801 GLU HG2 . 17396 1 218 . 1 1 22 22 GLU C C 13 176.283 . . 1 . . . . 801 GLU C . 17396 1 219 . 1 1 22 22 GLU CA C 13 59.149 . . 1 . . . . 801 GLU CA . 17396 1 220 . 1 1 22 22 GLU CB C 13 30.182 . . 1 . . . . 801 GLU CB . 17396 1 221 . 1 1 22 22 GLU CG C 13 36.962 . . 1 . . . . 801 GLU CG . 17396 1 222 . 1 1 22 22 GLU N N 15 130.390 . . 1 . . . . 801 GLU N . 17396 1 223 . 1 1 23 23 TYR H H 1 9.154 . . 1 . . . . 802 TYR HN . 17396 1 224 . 1 1 23 23 TYR HA H 1 4.899 . . 1 . . . . 802 TYR HA . 17396 1 225 . 1 1 23 23 TYR HB2 H 1 3.195 . . 1 . . . . 802 TYR HB1 . 17396 1 226 . 1 1 23 23 TYR HB3 H 1 3.244 . . 1 . . . . 802 TYR HB2 . 17396 1 227 . 1 1 23 23 TYR HD1 H 1 7.500 . . 1 . . . . 802 TYR HD1 . 17396 1 228 . 1 1 23 23 TYR HD2 H 1 7.500 . . 1 . . . . 802 TYR HD2 . 17396 1 229 . 1 1 23 23 TYR HE1 H 1 6.727 . . 1 . . . . 802 TYR HE1 . 17396 1 230 . 1 1 23 23 TYR HE2 H 1 6.727 . . 1 . . . . 802 TYR HE2 . 17396 1 231 . 1 1 23 23 TYR C C 13 176.397 . . 1 . . . . 802 TYR C . 17396 1 232 . 1 1 23 23 TYR CA C 13 60.777 . . 1 . . . . 802 TYR CA . 17396 1 233 . 1 1 23 23 TYR CB C 13 40.291 . . 1 . . . . 802 TYR CB . 17396 1 234 . 1 1 23 23 TYR CD1 C 13 133.230 . . 1 . . . . 802 TYR CD1 . 17396 1 235 . 1 1 23 23 TYR CD2 C 13 133.230 . . 1 . . . . 802 TYR CD2 . 17396 1 236 . 1 1 23 23 TYR CE1 C 13 117.949 . . 1 . . . . 802 TYR CE1 . 17396 1 237 . 1 1 23 23 TYR CE2 C 13 117.949 . . 1 . . . . 802 TYR CE2 . 17396 1 238 . 1 1 23 23 TYR N N 15 118.642 . . 1 . . . . 802 TYR N . 17396 1 239 . 1 1 24 24 CYS H H 1 8.480 . . 1 . . . . 803 CYS HN . 17396 1 240 . 1 1 24 24 CYS HA H 1 4.462 . . 1 . . . . 803 CYS HA . 17396 1 241 . 1 1 24 24 CYS HB2 H 1 3.137 . . 1 . . . . 803 CYS HB1 . 17396 1 242 . 1 1 24 24 CYS HB3 H 1 3.220 . . 1 . . . . 803 CYS HB2 . 17396 1 243 . 1 1 24 24 CYS C C 13 177.245 . . 1 . . . . 803 CYS C . 17396 1 244 . 1 1 24 24 CYS CA C 13 59.914 . . 1 . . . . 803 CYS CA . 17396 1 245 . 1 1 24 24 CYS CB C 13 31.805 . . 1 . . . . 803 CYS CB . 17396 1 246 . 1 1 24 24 CYS N N 15 118.185 . . 1 . . . . 803 CYS N . 17396 1 247 . 1 1 25 25 GLY H H 1 7.564 . . 1 . . . . 804 GLY HN . 17396 1 248 . 1 1 25 25 GLY HA2 H 1 3.705 . . 1 . . . . 804 GLY HA1 . 17396 1 249 . 1 1 25 25 GLY HA3 H 1 4.044 . . 1 . . . . 804 GLY HA2 . 17396 1 250 . 1 1 25 25 GLY C C 13 172.975 . . 1 . . . . 804 GLY C . 17396 1 251 . 1 1 25 25 GLY CA C 13 46.350 . . 1 . . . . 804 GLY CA . 17396 1 252 . 1 1 25 25 GLY N N 15 110.998 . . 1 . . . . 804 GLY N . 17396 1 253 . 1 1 26 26 LYS H H 1 8.351 . . 1 . . . . 805 LYS HN . 17396 1 254 . 1 1 26 26 LYS HA H 1 4.373 . . 1 . . . . 805 LYS HA . 17396 1 255 . 1 1 26 26 LYS HB2 H 1 1.815 . . 1 . . . . 805 LYS HB1 . 17396 1 256 . 1 1 26 26 LYS HB3 H 1 2.064 . . 1 . . . . 805 LYS HB2 . 17396 1 257 . 1 1 26 26 LYS HG2 H 1 1.454 . . 1 . . . . 805 LYS HG1 . 17396 1 258 . 1 1 26 26 LYS HG3 H 1 1.547 . . 1 . . . . 805 LYS HG2 . 17396 1 259 . 1 1 26 26 LYS HD2 H 1 1.730 . . 1 . . . . 805 LYS HD1 . 17396 1 260 . 1 1 26 26 LYS HD3 H 1 1.730 . . 1 . . . . 805 LYS HD2 . 17396 1 261 . 1 1 26 26 LYS HE2 H 1 3.039 . . 1 . . . . 805 LYS HE1 . 17396 1 262 . 1 1 26 26 LYS HE3 H 1 3.039 . . 1 . . . . 805 LYS HE2 . 17396 1 263 . 1 1 26 26 LYS C C 13 176.138 . . 1 . . . . 805 LYS C . 17396 1 264 . 1 1 26 26 LYS CA C 13 56.918 . . 1 . . . . 805 LYS CA . 17396 1 265 . 1 1 26 26 LYS CB C 13 33.732 . . 1 . . . . 805 LYS CB . 17396 1 266 . 1 1 26 26 LYS CG C 13 25.382 . . 1 . . . . 805 LYS CG . 17396 1 267 . 1 1 26 26 LYS CD C 13 29.317 . . 1 . . . . 805 LYS CD . 17396 1 268 . 1 1 26 26 LYS CE C 13 42.244 . . 1 . . . . 805 LYS CE . 17396 1 269 . 1 1 26 26 LYS N N 15 121.655 . . 1 . . . . 805 LYS N . 17396 1 270 . 1 1 27 27 TYR H H 1 8.546 . . 1 . . . . 806 TYR HN . 17396 1 271 . 1 1 27 27 TYR HA H 1 5.356 . . 1 . . . . 806 TYR HA . 17396 1 272 . 1 1 27 27 TYR HB2 H 1 2.676 . . 1 . . . . 806 TYR HB1 . 17396 1 273 . 1 1 27 27 TYR HB3 H 1 2.841 . . 1 . . . . 806 TYR HB2 . 17396 1 274 . 1 1 27 27 TYR HD1 H 1 6.946 . . 1 . . . . 806 TYR HD1 . 17396 1 275 . 1 1 27 27 TYR HD2 H 1 6.946 . . 1 . . . . 806 TYR HD2 . 17396 1 276 . 1 1 27 27 TYR HE1 H 1 6.775 . . 1 . . . . 806 TYR HE1 . 17396 1 277 . 1 1 27 27 TYR HE2 H 1 6.775 . . 1 . . . . 806 TYR HE2 . 17396 1 278 . 1 1 27 27 TYR C C 13 176.391 . . 1 . . . . 806 TYR C . 17396 1 279 . 1 1 27 27 TYR CA C 13 57.528 . . 1 . . . . 806 TYR CA . 17396 1 280 . 1 1 27 27 TYR CB C 13 39.860 . . 1 . . . . 806 TYR CB . 17396 1 281 . 1 1 27 27 TYR CD1 C 13 133.095 . . 1 . . . . 806 TYR CD1 . 17396 1 282 . 1 1 27 27 TYR CD2 C 13 133.095 . . 1 . . . . 806 TYR CD2 . 17396 1 283 . 1 1 27 27 TYR CE1 C 13 117.826 . . 1 . . . . 806 TYR CE1 . 17396 1 284 . 1 1 27 27 TYR CE2 C 13 117.826 . . 1 . . . . 806 TYR CE2 . 17396 1 285 . 1 1 27 27 TYR N N 15 120.350 . . 1 . . . . 806 TYR N . 17396 1 286 . 1 1 28 28 ALA H H 1 9.237 . . 1 . . . . 807 ALA HN . 17396 1 287 . 1 1 28 28 ALA HA H 1 4.901 . . 1 . . . . 807 ALA HA . 17396 1 288 . 1 1 28 28 ALA HB1 H 1 1.412 . . 1 . . . . 807 ALA HB1 . 17396 1 289 . 1 1 28 28 ALA HB2 H 1 1.412 . . 1 . . . . 807 ALA HB2 . 17396 1 290 . 1 1 28 28 ALA HB3 H 1 1.412 . . 1 . . . . 807 ALA HB3 . 17396 1 291 . 1 1 28 28 ALA CA C 13 50.192 . . 1 . . . . 807 ALA CA . 17396 1 292 . 1 1 28 28 ALA CB C 13 20.218 . . 1 . . . . 807 ALA CB . 17396 1 293 . 1 1 28 28 ALA N N 15 125.869 . . 1 . . . . 807 ALA N . 17396 1 294 . 1 1 29 29 PRO HA H 1 4.515 . . 1 . . . . 808 PRO HA . 17396 1 295 . 1 1 29 29 PRO HB2 H 1 1.933 . . 1 . . . . 808 PRO HB1 . 17396 1 296 . 1 1 29 29 PRO HB3 H 1 2.528 . . 1 . . . . 808 PRO HB2 . 17396 1 297 . 1 1 29 29 PRO HG2 H 1 1.942 . . 1 . . . . 808 PRO HG1 . 17396 1 298 . 1 1 29 29 PRO HG3 H 1 2.173 . . 1 . . . . 808 PRO HG2 . 17396 1 299 . 1 1 29 29 PRO HD2 H 1 3.799 . . 1 . . . . 808 PRO HD1 . 17396 1 300 . 1 1 29 29 PRO HD3 H 1 3.600 . . 1 . . . . 808 PRO HD2 . 17396 1 301 . 1 1 29 29 PRO C C 13 177.569 . . 1 . . . . 808 PRO C . 17396 1 302 . 1 1 29 29 PRO CA C 13 63.676 . . 1 . . . . 808 PRO CA . 17396 1 303 . 1 1 29 29 PRO CB C 13 32.667 . . 1 . . . . 808 PRO CB . 17396 1 304 . 1 1 29 29 PRO CG C 13 28.230 . . 1 . . . . 808 PRO CG . 17396 1 305 . 1 1 29 29 PRO CD C 13 50.646 . . 1 . . . . 808 PRO CD . 17396 1 306 . 1 1 30 30 ALA H H 1 8.579 . . 1 . . . . 809 ALA HN . 17396 1 307 . 1 1 30 30 ALA HA H 1 3.919 . . 1 . . . . 809 ALA HA . 17396 1 308 . 1 1 30 30 ALA HB1 H 1 1.307 . . 1 . . . . 809 ALA HB1 . 17396 1 309 . 1 1 30 30 ALA HB2 H 1 1.307 . . 1 . . . . 809 ALA HB2 . 17396 1 310 . 1 1 30 30 ALA HB3 H 1 1.307 . . 1 . . . . 809 ALA HB3 . 17396 1 311 . 1 1 30 30 ALA C C 13 179.898 . . 1 . . . . 809 ALA C . 17396 1 312 . 1 1 30 30 ALA CA C 13 55.226 . . 1 . . . . 809 ALA CA . 17396 1 313 . 1 1 30 30 ALA CB C 13 18.658 . . 1 . . . . 809 ALA CB . 17396 1 314 . 1 1 30 30 ALA N N 15 125.627 . . 1 . . . . 809 ALA N . 17396 1 315 . 1 1 31 31 GLU H H 1 9.187 . . 1 . . . . 810 GLU HN . 17396 1 316 . 1 1 31 31 GLU HA H 1 4.175 . . 1 . . . . 810 GLU HA . 17396 1 317 . 1 1 31 31 GLU HB2 H 1 2.069 . . 1 . . . . 810 GLU HB1 . 17396 1 318 . 1 1 31 31 GLU HB3 H 1 2.069 . . 1 . . . . 810 GLU HB2 . 17396 1 319 . 1 1 31 31 GLU HG2 H 1 2.321 . . 1 . . . . 810 GLU HG1 . 17396 1 320 . 1 1 31 31 GLU HG3 H 1 2.321 . . 1 . . . . 810 GLU HG2 . 17396 1 321 . 1 1 31 31 GLU C C 13 177.645 . . 1 . . . . 810 GLU C . 17396 1 322 . 1 1 31 31 GLU CA C 13 58.776 . . 1 . . . . 810 GLU CA . 17396 1 323 . 1 1 31 31 GLU CB C 13 29.098 . . 1 . . . . 810 GLU CB . 17396 1 324 . 1 1 31 31 GLU CG C 13 36.242 . . 1 . . . . 810 GLU CG . 17396 1 325 . 1 1 31 31 GLU N N 15 116.672 . . 1 . . . . 810 GLU N . 17396 1 326 . 1 1 32 32 GLN H H 1 8.158 . . 1 . . . . 811 GLN HN . 17396 1 327 . 1 1 32 32 GLN HA H 1 4.247 . . 1 . . . . 811 GLN HA . 17396 1 328 . 1 1 32 32 GLN HB2 H 1 2.067 . . 1 . . . . 811 GLN HB1 . 17396 1 329 . 1 1 32 32 GLN HB3 H 1 2.180 . . 1 . . . . 811 GLN HB2 . 17396 1 330 . 1 1 32 32 GLN HG2 H 1 2.294 . . 1 . . . . 811 GLN HG1 . 17396 1 331 . 1 1 32 32 GLN HG3 H 1 2.545 . . 1 . . . . 811 GLN HG2 . 17396 1 332 . 1 1 32 32 GLN HE21 H 1 6.898 . . 1 . . . . 811 GLN HE21 . 17396 1 333 . 1 1 32 32 GLN HE22 H 1 7.724 . . 1 . . . . 811 GLN HE22 . 17396 1 334 . 1 1 32 32 GLN C C 13 175.799 . . 1 . . . . 811 GLN C . 17396 1 335 . 1 1 32 32 GLN CA C 13 56.562 . . 1 . . . . 811 GLN CA . 17396 1 336 . 1 1 32 32 GLN CB C 13 29.333 . . 1 . . . . 811 GLN CB . 17396 1 337 . 1 1 32 32 GLN CG C 13 34.437 . . 1 . . . . 811 GLN CG . 17396 1 338 . 1 1 32 32 GLN N N 15 117.600 . . 1 . . . . 811 GLN N . 17396 1 339 . 1 1 32 32 GLN NE2 N 15 111.884 . . 1 . . . . 811 GLN NE2 . 17396 1 340 . 1 1 33 33 PHE H H 1 7.924 . . 1 . . . . 812 PHE HN . 17396 1 341 . 1 1 33 33 PHE HA H 1 4.515 . . 1 . . . . 812 PHE HA . 17396 1 342 . 1 1 33 33 PHE HB2 H 1 2.853 . . 1 . . . . 812 PHE HB1 . 17396 1 343 . 1 1 33 33 PHE HB3 H 1 3.180 . . 1 . . . . 812 PHE HB2 . 17396 1 344 . 1 1 33 33 PHE HD1 H 1 7.054 . . 1 . . . . 812 PHE HD1 . 17396 1 345 . 1 1 33 33 PHE HD2 H 1 7.054 . . 1 . . . . 812 PHE HD2 . 17396 1 346 . 1 1 33 33 PHE HE1 H 1 6.920 . . 1 . . . . 812 PHE HE1 . 17396 1 347 . 1 1 33 33 PHE HE2 H 1 6.920 . . 1 . . . . 812 PHE HE2 . 17396 1 348 . 1 1 33 33 PHE HZ H 1 6.895 . . 1 . . . . 812 PHE HZ . 17396 1 349 . 1 1 33 33 PHE C C 13 176.035 . . 1 . . . . 812 PHE C . 17396 1 350 . 1 1 33 33 PHE CA C 13 57.922 . . 1 . . . . 812 PHE CA . 17396 1 351 . 1 1 33 33 PHE CB C 13 39.054 . . 1 . . . . 812 PHE CB . 17396 1 352 . 1 1 33 33 PHE CD1 C 13 132.234 . . 1 . . . . 812 PHE CD1 . 17396 1 353 . 1 1 33 33 PHE CD2 C 13 132.234 . . 1 . . . . 812 PHE CD2 . 17396 1 354 . 1 1 33 33 PHE CE1 C 13 130.880 . . 1 . . . . 812 PHE CE1 . 17396 1 355 . 1 1 33 33 PHE CE2 C 13 130.880 . . 1 . . . . 812 PHE CE2 . 17396 1 356 . 1 1 33 33 PHE CZ C 13 129.284 . . 1 . . . . 812 PHE CZ . 17396 1 357 . 1 1 33 33 PHE N N 15 119.875 . . 1 . . . . 812 PHE N . 17396 1 358 . 1 1 34 34 ARG H H 1 8.286 . . 1 . . . . 813 ARG HN . 17396 1 359 . 1 1 34 34 ARG HA H 1 4.452 . . 1 . . . . 813 ARG HA . 17396 1 360 . 1 1 34 34 ARG HB2 H 1 1.756 . . 1 . . . . 813 ARG HB1 . 17396 1 361 . 1 1 34 34 ARG HB3 H 1 1.923 . . 1 . . . . 813 ARG HB2 . 17396 1 362 . 1 1 34 34 ARG HG2 H 1 1.614 . . 1 . . . . 813 ARG HG1 . 17396 1 363 . 1 1 34 34 ARG HG3 H 1 1.614 . . 1 . . . . 813 ARG HG2 . 17396 1 364 . 1 1 34 34 ARG HD2 H 1 3.200 . . 1 . . . . 813 ARG HD1 . 17396 1 365 . 1 1 34 34 ARG HD3 H 1 3.200 . . 1 . . . . 813 ARG HD2 . 17396 1 366 . 1 1 34 34 ARG C C 13 177.187 . . 1 . . . . 813 ARG C . 17396 1 367 . 1 1 34 34 ARG CA C 13 55.527 . . 1 . . . . 813 ARG CA . 17396 1 368 . 1 1 34 34 ARG CB C 13 31.269 . . 1 . . . . 813 ARG CB . 17396 1 369 . 1 1 34 34 ARG CG C 13 26.995 . . 1 . . . . 813 ARG CG . 17396 1 370 . 1 1 34 34 ARG CD C 13 43.289 . . 1 . . . . 813 ARG CD . 17396 1 371 . 1 1 34 34 ARG N N 15 120.940 . . 1 . . . . 813 ARG N . 17396 1 372 . 1 1 35 35 GLY H H 1 8.748 . . 1 . . . . 814 GLY HN . 17396 1 373 . 1 1 35 35 GLY HA2 H 1 3.824 . . 1 . . . . 814 GLY HA1 . 17396 1 374 . 1 1 35 35 GLY HA3 H 1 4.066 . . 1 . . . . 814 GLY HA2 . 17396 1 375 . 1 1 35 35 GLY C C 13 174.968 . . 1 . . . . 814 GLY C . 17396 1 376 . 1 1 35 35 GLY CA C 13 46.702 . . 1 . . . . 814 GLY CA . 17396 1 377 . 1 1 35 35 GLY N N 15 110.509 . . 1 . . . . 814 GLY N . 17396 1 378 . 1 1 36 36 SER H H 1 8.450 . . 1 . . . . 815 SER HN . 17396 1 379 . 1 1 36 36 SER HA H 1 4.333 . . 1 . . . . 815 SER HA . 17396 1 380 . 1 1 36 36 SER HB2 H 1 4.012 . . 1 . . . . 815 SER HB1 . 17396 1 381 . 1 1 36 36 SER HB3 H 1 4.012 . . 1 . . . . 815 SER HB2 . 17396 1 382 . 1 1 36 36 SER C C 13 174.792 . . 1 . . . . 815 SER C . 17396 1 383 . 1 1 36 36 SER CA C 13 58.779 . . 1 . . . . 815 SER CA . 17396 1 384 . 1 1 36 36 SER CB C 13 63.720 . . 1 . . . . 815 SER CB . 17396 1 385 . 1 1 36 36 SER N N 15 118.149 . . 1 . . . . 815 SER N . 17396 1 386 . 1 1 37 37 LYS H H 1 8.359 . . 1 . . . . 816 LYS HN . 17396 1 387 . 1 1 37 37 LYS HA H 1 4.033 . . 1 . . . . 816 LYS HA . 17396 1 388 . 1 1 37 37 LYS HB2 H 1 1.688 . . 1 . . . . 816 LYS HB1 . 17396 1 389 . 1 1 37 37 LYS HB3 H 1 1.843 . . 1 . . . . 816 LYS HB2 . 17396 1 390 . 1 1 37 37 LYS HG2 H 1 1.232 . . 1 . . . . 816 LYS HG1 . 17396 1 391 . 1 1 37 37 LYS HG3 H 1 1.232 . . 1 . . . . 816 LYS HG2 . 17396 1 392 . 1 1 37 37 LYS HD2 H 1 1.558 . . 1 . . . . 816 LYS HD1 . 17396 1 393 . 1 1 37 37 LYS HD3 H 1 1.558 . . 1 . . . . 816 LYS HD2 . 17396 1 394 . 1 1 37 37 LYS HE2 H 1 2.959 . . 1 . . . . 816 LYS HE1 . 17396 1 395 . 1 1 37 37 LYS HE3 H 1 2.959 . . 1 . . . . 816 LYS HE2 . 17396 1 396 . 1 1 37 37 LYS C C 13 175.409 . . 1 . . . . 816 LYS C . 17396 1 397 . 1 1 37 37 LYS CA C 13 57.314 . . 1 . . . . 816 LYS CA . 17396 1 398 . 1 1 37 37 LYS CB C 13 31.179 . . 1 . . . . 816 LYS CB . 17396 1 399 . 1 1 37 37 LYS CG C 13 25.066 . . 1 . . . . 816 LYS CG . 17396 1 400 . 1 1 37 37 LYS CD C 13 29.051 . . 1 . . . . 816 LYS CD . 17396 1 401 . 1 1 37 37 LYS CE C 13 42.270 . . 1 . . . . 816 LYS CE . 17396 1 402 . 1 1 37 37 LYS N N 15 118.190 . . 1 . . . . 816 LYS N . 17396 1 403 . 1 1 38 38 ARG H H 1 7.903 . . 1 . . . . 817 ARG HN . 17396 1 404 . 1 1 38 38 ARG HA H 1 4.150 . . 1 . . . . 817 ARG HA . 17396 1 405 . 1 1 38 38 ARG HB2 H 1 0.869 . . 1 . . . . 817 ARG HB1 . 17396 1 406 . 1 1 38 38 ARG HB3 H 1 0.950 . . 1 . . . . 817 ARG HB2 . 17396 1 407 . 1 1 38 38 ARG HG2 H 1 1.264 . . 1 . . . . 817 ARG HG1 . 17396 1 408 . 1 1 38 38 ARG HG3 H 1 1.358 . . 1 . . . . 817 ARG HG2 . 17396 1 409 . 1 1 38 38 ARG HD2 H 1 3.040 . . 1 . . . . 817 ARG HD1 . 17396 1 410 . 1 1 38 38 ARG HD3 H 1 2.870 . . 1 . . . . 817 ARG HD2 . 17396 1 411 . 1 1 38 38 ARG C C 13 174.772 . . 1 . . . . 817 ARG C . 17396 1 412 . 1 1 38 38 ARG CA C 13 57.341 . . 1 . . . . 817 ARG CA . 17396 1 413 . 1 1 38 38 ARG CB C 13 32.230 . . 1 . . . . 817 ARG CB . 17396 1 414 . 1 1 38 38 ARG CG C 13 26.634 . . 1 . . . . 817 ARG CG . 17396 1 415 . 1 1 38 38 ARG CD C 13 43.702 . . 1 . . . . 817 ARG CD . 17396 1 416 . 1 1 38 38 ARG N N 15 117.347 . . 1 . . . . 817 ARG N . 17396 1 417 . 1 1 39 39 PHE H H 1 7.761 . . 1 . . . . 818 PHE HN . 17396 1 418 . 1 1 39 39 PHE HA H 1 6.035 . . 1 . . . . 818 PHE HA . 17396 1 419 . 1 1 39 39 PHE HB2 H 1 2.685 . . 1 . . . . 818 PHE HB1 . 17396 1 420 . 1 1 39 39 PHE HB3 H 1 3.172 . . 1 . . . . 818 PHE HB2 . 17396 1 421 . 1 1 39 39 PHE HD1 H 1 7.182 . . 1 . . . . 818 PHE HD1 . 17396 1 422 . 1 1 39 39 PHE HD2 H 1 7.182 . . 1 . . . . 818 PHE HD2 . 17396 1 423 . 1 1 39 39 PHE HE1 H 1 6.952 . . 1 . . . . 818 PHE HE1 . 17396 1 424 . 1 1 39 39 PHE HE2 H 1 6.952 . . 1 . . . . 818 PHE HE2 . 17396 1 425 . 1 1 39 39 PHE HZ H 1 6.523 . . 1 . . . . 818 PHE HZ . 17396 1 426 . 1 1 39 39 PHE C C 13 176.116 . . 1 . . . . 818 PHE C . 17396 1 427 . 1 1 39 39 PHE CA C 13 55.356 . . 1 . . . . 818 PHE CA . 17396 1 428 . 1 1 39 39 PHE CB C 13 42.770 . . 1 . . . . 818 PHE CB . 17396 1 429 . 1 1 39 39 PHE CD1 C 13 132.132 . . 1 . . . . 818 PHE CD1 . 17396 1 430 . 1 1 39 39 PHE CD2 C 13 132.132 . . 1 . . . . 818 PHE CD2 . 17396 1 431 . 1 1 39 39 PHE CE1 C 13 131.112 . . 1 . . . . 818 PHE CE1 . 17396 1 432 . 1 1 39 39 PHE CE2 C 13 131.112 . . 1 . . . . 818 PHE CE2 . 17396 1 433 . 1 1 39 39 PHE CZ C 13 129.648 . . 1 . . . . 818 PHE CZ . 17396 1 434 . 1 1 39 39 PHE N N 15 114.953 . . 1 . . . . 818 PHE N . 17396 1 435 . 1 1 40 40 CYS H H 1 9.406 . . 1 . . . . 819 CYS HN . 17396 1 436 . 1 1 40 40 CYS HA H 1 2.904 . . 1 . . . . 819 CYS HA . 17396 1 437 . 1 1 40 40 CYS HB2 H 1 2.711 . . 1 . . . . 819 CYS HB1 . 17396 1 438 . 1 1 40 40 CYS HB3 H 1 2.426 . . 1 . . . . 819 CYS HB2 . 17396 1 439 . 1 1 40 40 CYS C C 13 173.976 . . 1 . . . . 819 CYS C . 17396 1 440 . 1 1 40 40 CYS CA C 13 59.268 . . 1 . . . . 819 CYS CA . 17396 1 441 . 1 1 40 40 CYS CB C 13 31.863 . . 1 . . . . 819 CYS CB . 17396 1 442 . 1 1 40 40 CYS N N 15 124.445 . . 1 . . . . 819 CYS N . 17396 1 443 . 1 1 41 41 SER H H 1 7.156 . . 1 . . . . 820 SER HN . 17396 1 444 . 1 1 41 41 SER HA H 1 4.657 . . 1 . . . . 820 SER HA . 17396 1 445 . 1 1 41 41 SER HB2 H 1 4.048 . . 1 . . . . 820 SER HB1 . 17396 1 446 . 1 1 41 41 SER HB3 H 1 4.252 . . 1 . . . . 820 SER HB2 . 17396 1 447 . 1 1 41 41 SER C C 13 174.408 . . 1 . . . . 820 SER C . 17396 1 448 . 1 1 41 41 SER CA C 13 57.054 . . 1 . . . . 820 SER CA . 17396 1 449 . 1 1 41 41 SER CB C 13 65.225 . . 1 . . . . 820 SER CB . 17396 1 450 . 1 1 41 41 SER N N 15 110.614 . . 1 . . . . 820 SER N . 17396 1 451 . 1 1 42 42 MET H H 1 9.056 . . 1 . . . . 821 MET HN . 17396 1 452 . 1 1 42 42 MET HA H 1 4.246 . . 1 . . . . 821 MET HA . 17396 1 453 . 1 1 42 42 MET HB2 H 1 2.044 . . 1 . . . . 821 MET HB1 . 17396 1 454 . 1 1 42 42 MET HB3 H 1 2.103 . . 1 . . . . 821 MET HB2 . 17396 1 455 . 1 1 42 42 MET HG2 H 1 2.552 . . 1 . . . . 821 MET HG1 . 17396 1 456 . 1 1 42 42 MET HG3 H 1 2.668 . . 1 . . . . 821 MET HG2 . 17396 1 457 . 1 1 42 42 MET HE1 H 1 2.071 . . 1 . . . . 821 MET HE1 . 17396 1 458 . 1 1 42 42 MET HE2 H 1 2.071 . . 1 . . . . 821 MET HE2 . 17396 1 459 . 1 1 42 42 MET HE3 H 1 2.071 . . 1 . . . . 821 MET HE3 . 17396 1 460 . 1 1 42 42 MET C C 13 178.319 . . 1 . . . . 821 MET C . 17396 1 461 . 1 1 42 42 MET CA C 13 57.670 . . 1 . . . . 821 MET CA . 17396 1 462 . 1 1 42 42 MET CB C 13 31.568 . . 1 . . . . 821 MET CB . 17396 1 463 . 1 1 42 42 MET CG C 13 32.155 . . 1 . . . . 821 MET CG . 17396 1 464 . 1 1 42 42 MET CE C 13 16.783 . . 1 . . . . 821 MET CE . 17396 1 465 . 1 1 42 42 MET N N 15 121.123 . . 1 . . . . 821 MET N . 17396 1 466 . 1 1 43 43 THR H H 1 7.917 . . 1 . . . . 822 THR HN . 17396 1 467 . 1 1 43 43 THR HA H 1 3.745 . . 1 . . . . 822 THR HA . 17396 1 468 . 1 1 43 43 THR HB H 1 4.051 . . 1 . . . . 822 THR HB . 17396 1 469 . 1 1 43 43 THR HG21 H 1 1.141 . . 1 . . . . 822 THR HG21 . 17396 1 470 . 1 1 43 43 THR HG22 H 1 1.141 . . 1 . . . . 822 THR HG22 . 17396 1 471 . 1 1 43 43 THR HG23 H 1 1.141 . . 1 . . . . 822 THR HG23 . 17396 1 472 . 1 1 43 43 THR C C 13 176.126 . . 1 . . . . 822 THR C . 17396 1 473 . 1 1 43 43 THR CA C 13 66.289 . . 1 . . . . 822 THR CA . 17396 1 474 . 1 1 43 43 THR CB C 13 68.521 . . 1 . . . . 822 THR CB . 17396 1 475 . 1 1 43 43 THR CG2 C 13 21.925 . . 1 . . . . 822 THR CG2 . 17396 1 476 . 1 1 43 43 THR N N 15 114.477 . . 1 . . . . 822 THR N . 17396 1 477 . 1 1 44 44 CYS H H 1 7.466 . . 1 . . . . 823 CYS HN . 17396 1 478 . 1 1 44 44 CYS HA H 1 3.649 . . 1 . . . . 823 CYS HA . 17396 1 479 . 1 1 44 44 CYS HB2 H 1 2.969 . . 1 . . . . 823 CYS HB1 . 17396 1 480 . 1 1 44 44 CYS HB3 H 1 2.969 . . 1 . . . . 823 CYS HB2 . 17396 1 481 . 1 1 44 44 CYS C C 13 175.560 . . 1 . . . . 823 CYS C . 17396 1 482 . 1 1 44 44 CYS CA C 13 64.948 . . 1 . . . . 823 CYS CA . 17396 1 483 . 1 1 44 44 CYS CB C 13 30.626 . . 1 . . . . 823 CYS CB . 17396 1 484 . 1 1 44 44 CYS N N 15 121.900 . . 1 . . . . 823 CYS N . 17396 1 485 . 1 1 45 45 ALA H H 1 7.215 . . 1 . . . . 824 ALA HN . 17396 1 486 . 1 1 45 45 ALA HA H 1 2.304 . . 1 . . . . 824 ALA HA . 17396 1 487 . 1 1 45 45 ALA HB1 H 1 1.145 . . 1 . . . . 824 ALA HB1 . 17396 1 488 . 1 1 45 45 ALA HB2 H 1 1.145 . . 1 . . . . 824 ALA HB2 . 17396 1 489 . 1 1 45 45 ALA HB3 H 1 1.145 . . 1 . . . . 824 ALA HB3 . 17396 1 490 . 1 1 45 45 ALA C C 13 179.422 . . 1 . . . . 824 ALA C . 17396 1 491 . 1 1 45 45 ALA CA C 13 53.851 . . 1 . . . . 824 ALA CA . 17396 1 492 . 1 1 45 45 ALA CB C 13 18.747 . . 1 . . . . 824 ALA CB . 17396 1 493 . 1 1 45 45 ALA N N 15 118.651 . . 1 . . . . 824 ALA N . 17396 1 494 . 1 1 46 46 LYS H H 1 7.581 . . 1 . . . . 825 LYS HN . 17396 1 495 . 1 1 46 46 LYS HA H 1 3.953 . . 1 . . . . 825 LYS HA . 17396 1 496 . 1 1 46 46 LYS HB2 H 1 1.723 . . 1 . . . . 825 LYS HB1 . 17396 1 497 . 1 1 46 46 LYS HB3 H 1 1.723 . . 1 . . . . 825 LYS HB2 . 17396 1 498 . 1 1 46 46 LYS HG2 H 1 1.373 . . 1 . . . . 825 LYS HG1 . 17396 1 499 . 1 1 46 46 LYS HG3 H 1 1.373 . . 1 . . . . 825 LYS HG2 . 17396 1 500 . 1 1 46 46 LYS HD2 H 1 1.596 . . 1 . . . . 825 LYS HD1 . 17396 1 501 . 1 1 46 46 LYS HD3 H 1 1.596 . . 1 . . . . 825 LYS HD2 . 17396 1 502 . 1 1 46 46 LYS HE2 H 1 2.877 . . 1 . . . . 825 LYS HE1 . 17396 1 503 . 1 1 46 46 LYS HE3 H 1 2.877 . . 1 . . . . 825 LYS HE2 . 17396 1 504 . 1 1 46 46 LYS C C 13 177.817 . . 1 . . . . 825 LYS C . 17396 1 505 . 1 1 46 46 LYS CA C 13 57.554 . . 1 . . . . 825 LYS CA . 17396 1 506 . 1 1 46 46 LYS CB C 13 32.401 . . 1 . . . . 825 LYS CB . 17396 1 507 . 1 1 46 46 LYS CG C 13 24.900 . . 1 . . . . 825 LYS CG . 17396 1 508 . 1 1 46 46 LYS CD C 13 29.055 . . 1 . . . . 825 LYS CD . 17396 1 509 . 1 1 46 46 LYS CE C 13 42.066 . . 1 . . . . 825 LYS CE . 17396 1 510 . 1 1 46 46 LYS N N 15 115.448 . . 1 . . . . 825 LYS N . 17396 1 511 . 1 1 47 47 ARG H H 1 7.296 . . 1 . . . . 826 ARG HN . 17396 1 512 . 1 1 47 47 ARG HA H 1 3.851 . . 1 . . . . 826 ARG HA . 17396 1 513 . 1 1 47 47 ARG HB2 H 1 0.950 . . 1 . . . . 826 ARG HB1 . 17396 1 514 . 1 1 47 47 ARG HB3 H 1 1.332 . . 1 . . . . 826 ARG HB2 . 17396 1 515 . 1 1 47 47 ARG HG2 H 1 1.384 . . 1 . . . . 826 ARG HG1 . 17396 1 516 . 1 1 47 47 ARG HG3 H 1 1.325 . . 1 . . . . 826 ARG HG2 . 17396 1 517 . 1 1 47 47 ARG HD2 H 1 2.899 . . 1 . . . . 826 ARG HD1 . 17396 1 518 . 1 1 47 47 ARG HD3 H 1 2.899 . . 1 . . . . 826 ARG HD2 . 17396 1 519 . 1 1 47 47 ARG C C 13 176.155 . . 1 . . . . 826 ARG C . 17396 1 520 . 1 1 47 47 ARG CA C 13 56.812 . . 1 . . . . 826 ARG CA . 17396 1 521 . 1 1 47 47 ARG CB C 13 29.827 . . 1 . . . . 826 ARG CB . 17396 1 522 . 1 1 47 47 ARG CG C 13 27.200 . . 1 . . . . 826 ARG CG . 17396 1 523 . 1 1 47 47 ARG CD C 13 43.256 . . 1 . . . . 826 ARG CD . 17396 1 524 . 1 1 47 47 ARG N N 15 118.053 . . 1 . . . . 826 ARG N . 17396 1 525 . 1 1 48 48 TYR H H 1 7.189 . . 1 . . . . 827 TYR HN . 17396 1 526 . 1 1 48 48 TYR HA H 1 4.199 . . 1 . . . . 827 TYR HA . 17396 1 527 . 1 1 48 48 TYR HB2 H 1 2.785 . . 1 . . . . 827 TYR HB1 . 17396 1 528 . 1 1 48 48 TYR HB3 H 1 2.698 . . 1 . . . . 827 TYR HB2 . 17396 1 529 . 1 1 48 48 TYR HD1 H 1 7.153 . . 1 . . . . 827 TYR HD1 . 17396 1 530 . 1 1 48 48 TYR HD2 H 1 7.153 . . 1 . . . . 827 TYR HD2 . 17396 1 531 . 1 1 48 48 TYR HE1 H 1 6.920 . . 1 . . . . 827 TYR HE1 . 17396 1 532 . 1 1 48 48 TYR HE2 H 1 6.920 . . 1 . . . . 827 TYR HE2 . 17396 1 533 . 1 1 48 48 TYR C C 13 174.530 . . 1 . . . . 827 TYR C . 17396 1 534 . 1 1 48 48 TYR CA C 13 59.480 . . 1 . . . . 827 TYR CA . 17396 1 535 . 1 1 48 48 TYR CB C 13 39.469 . . 1 . . . . 827 TYR CB . 17396 1 536 . 1 1 48 48 TYR CD1 C 13 133.507 . . 1 . . . . 827 TYR CD1 . 17396 1 537 . 1 1 48 48 TYR CD2 C 13 133.507 . . 1 . . . . 827 TYR CD2 . 17396 1 538 . 1 1 48 48 TYR CE1 C 13 118.189 . . 1 . . . . 827 TYR CE1 . 17396 1 539 . 1 1 48 48 TYR CE2 C 13 118.189 . . 1 . . . . 827 TYR CE2 . 17396 1 540 . 1 1 48 48 TYR N N 15 119.352 . . 1 . . . . 827 TYR N . 17396 1 541 . 1 1 49 49 ASN H H 1 7.392 . . 1 . . . . 828 ASN HN . 17396 1 542 . 1 1 49 49 ASN HA H 1 4.275 . . 1 . . . . 828 ASN HA . 17396 1 543 . 1 1 49 49 ASN HB2 H 1 2.556 . . 1 . . . . 828 ASN HB1 . 17396 1 544 . 1 1 49 49 ASN HB3 H 1 2.678 . . 1 . . . . 828 ASN HB2 . 17396 1 545 . 1 1 49 49 ASN HD21 H 1 6.681 . . 1 . . . . 828 ASN HD21 . 17396 1 546 . 1 1 49 49 ASN HD22 H 1 7.403 . . 1 . . . . 828 ASN HD22 . 17396 1 547 . 1 1 49 49 ASN CA C 13 55.292 . . 1 . . . . 828 ASN CA . 17396 1 548 . 1 1 49 49 ASN CB C 13 41.027 . . 1 . . . . 828 ASN CB . 17396 1 549 . 1 1 49 49 ASN N N 15 124.947 . . 1 . . . . 828 ASN N . 17396 1 550 . 1 1 49 49 ASN ND2 N 15 112.523 . . 1 . . . . 828 ASN ND2 . 17396 1 stop_ save_