data_27606 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27606 _Entry.Title ; Backbone and side chain resonance assignment of the NZF domain of HOIL-1L ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-13 _Entry.Accession_date 2018-09-13 _Entry.Last_release_date 2018-09-13 _Entry.Original_release_date 2018-09-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Naoki Ishii . . . . 27606 2 Erik Walinda . . . . 27606 3 Naoto Iwakawa . . . . 27606 4 Daichi Morimoto . . . . 27606 5 Kenji Sugase . . . . 27606 6 Masahiro Shirakawa . . . . 27606 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27606 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 282 27606 '15N chemical shifts' 63 27606 '1H chemical shifts' 429 27606 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 . . 2019-04-24 2018-09-13 update BMRB 'update entry citation' 27606 1 . . 2018-09-20 2018-09-13 original author 'original release' 27606 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27606 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-018-09868-5 _Citation.PubMed_ID 30569274 _Citation.Full_citation . _Citation.Title ; NMR resonance assignments of the NZF domain of mouse HOIL-1L free and bound to linear di-ubiquitin. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 149 _Citation.Page_last 153 _Citation.Year 2019 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Naoki Ishii N. . . . 27606 1 2 Erik Walinda E. . . . 27606 1 3 Naoto Iwakawa N. . . . 27606 1 4 Daichi Morimoto D. . . . 27606 1 5 Kazuhiro Iwai K. . . . 27606 1 6 Kenji Sugase K. . . . 27606 1 7 Masahiro Shirakawa M. . . . 27606 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27606 _Assembly.ID 1 _Assembly.Name 'NZF domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 HOIL-1L 1 $NZF_domain A . yes native no no . . . 27606 1 2 Zinc 2 $entity_ZN B . no native no no . . . 27606 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_asym_ID_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_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordinate single . 1 . 1 CYS 13 13 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 27606 1 2 coordinate single . 1 . 1 CYS 16 16 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 27606 1 3 coordinate single . 1 . 1 CYS 27 27 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 27606 1 4 coordinate single . 1 . 1 CYS 30 30 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . . . 27606 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NZF_domain _Entity.Sf_category entity _Entity.Sf_framecode NZF_domain _Entity.Entry_ID 27606 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NZF_domain _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 ; GPLGSPEPVGWQCPGCTFIN KPTRPGCEMCCRARPETYQI PASYQPDEEERARLAGEEEA LRQYQQ ; _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 66 _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 . 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 . 27606 1 2 . PRO . 27606 1 3 . LEU . 27606 1 4 . GLY . 27606 1 5 . SER . 27606 1 6 . PRO . 27606 1 7 . GLU . 27606 1 8 . PRO . 27606 1 9 . VAL . 27606 1 10 . GLY . 27606 1 11 . TRP . 27606 1 12 . GLN . 27606 1 13 . CYS . 27606 1 14 . PRO . 27606 1 15 . GLY . 27606 1 16 . CYS . 27606 1 17 . THR . 27606 1 18 . PHE . 27606 1 19 . ILE . 27606 1 20 . ASN . 27606 1 21 . LYS . 27606 1 22 . PRO . 27606 1 23 . THR . 27606 1 24 . ARG . 27606 1 25 . PRO . 27606 1 26 . GLY . 27606 1 27 . CYS . 27606 1 28 . GLU . 27606 1 29 . MET . 27606 1 30 . CYS . 27606 1 31 . CYS . 27606 1 32 . ARG . 27606 1 33 . ALA . 27606 1 34 . ARG . 27606 1 35 . PRO . 27606 1 36 . GLU . 27606 1 37 . THR . 27606 1 38 . TYR . 27606 1 39 . GLN . 27606 1 40 . ILE . 27606 1 41 . PRO . 27606 1 42 . ALA . 27606 1 43 . SER . 27606 1 44 . TYR . 27606 1 45 . GLN . 27606 1 46 . PRO . 27606 1 47 . ASP . 27606 1 48 . GLU . 27606 1 49 . GLU . 27606 1 50 . GLU . 27606 1 51 . ARG . 27606 1 52 . ALA . 27606 1 53 . ARG . 27606 1 54 . LEU . 27606 1 55 . ALA . 27606 1 56 . GLY . 27606 1 57 . GLU . 27606 1 58 . GLU . 27606 1 59 . GLU . 27606 1 60 . ALA . 27606 1 61 . LEU . 27606 1 62 . ARG . 27606 1 63 . GLN . 27606 1 64 . TYR . 27606 1 65 . GLN . 27606 1 66 . GLN . 27606 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 27606 1 . PRO 2 2 27606 1 . LEU 3 3 27606 1 . GLY 4 4 27606 1 . SER 5 5 27606 1 . PRO 6 6 27606 1 . GLU 7 7 27606 1 . PRO 8 8 27606 1 . VAL 9 9 27606 1 . GLY 10 10 27606 1 . TRP 11 11 27606 1 . GLN 12 12 27606 1 . CYS 13 13 27606 1 . PRO 14 14 27606 1 . GLY 15 15 27606 1 . CYS 16 16 27606 1 . THR 17 17 27606 1 . PHE 18 18 27606 1 . ILE 19 19 27606 1 . ASN 20 20 27606 1 . LYS 21 21 27606 1 . PRO 22 22 27606 1 . THR 23 23 27606 1 . ARG 24 24 27606 1 . PRO 25 25 27606 1 . GLY 26 26 27606 1 . CYS 27 27 27606 1 . GLU 28 28 27606 1 . MET 29 29 27606 1 . CYS 30 30 27606 1 . CYS 31 31 27606 1 . ARG 32 32 27606 1 . ALA 33 33 27606 1 . ARG 34 34 27606 1 . PRO 35 35 27606 1 . GLU 36 36 27606 1 . THR 37 37 27606 1 . TYR 38 38 27606 1 . GLN 39 39 27606 1 . ILE 40 40 27606 1 . PRO 41 41 27606 1 . ALA 42 42 27606 1 . SER 43 43 27606 1 . TYR 44 44 27606 1 . GLN 45 45 27606 1 . PRO 46 46 27606 1 . ASP 47 47 27606 1 . GLU 48 48 27606 1 . GLU 49 49 27606 1 . GLU 50 50 27606 1 . ARG 51 51 27606 1 . ALA 52 52 27606 1 . ARG 53 53 27606 1 . LEU 54 54 27606 1 . ALA 55 55 27606 1 . GLY 56 56 27606 1 . GLU 57 57 27606 1 . GLU 58 58 27606 1 . GLU 59 59 27606 1 . ALA 60 60 27606 1 . LEU 61 61 27606 1 . ARG 62 62 27606 1 . GLN 63 63 27606 1 . TYR 64 64 27606 1 . GLN 65 65 27606 1 . GLN 66 66 27606 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 27606 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _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 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 27606 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 27606 2 ZN 'Three letter code' 27606 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 27606 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 27606 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $NZF_domain . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 27606 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 27606 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $NZF_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-6P-1 . . . 27606 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 27606 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 27606 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 27606 ZN [Zn++] SMILES CACTVS 3.341 27606 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 27606 ZN [Zn+2] SMILES ACDLabs 10.04 27606 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 27606 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27606 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 27606 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27606 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 27606 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27606 _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 'NZF domain' '[U-100% 13C; U-100% 15N]' . . 1 $NZF_domain . . 1.0 . . mM . . . . 27606 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 27606 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27606 1 4 TCEP 'natural abundance' . . . . . . 1.0 . . mM . . . . 27606 1 5 D2O 'natural abundance' . . . . . . 5.0 . . % . . . . 27606 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27606 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 27606 1 pressure 1 . atm 27606 1 temperature 298 . K 27606 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27606 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27606 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27606 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27606 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27606 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27606 2 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 27606 _NMR_spectrometer.ID 1 _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 27606 _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 . 700 . . . 27606 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 27606 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 6 '3D (H)CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 7 '3D 15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 9 '2D 1H-13C HSQC aliphatic aliased' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 11 '3D H(CC)(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 13 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 14 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 15 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 16 '3D 13C NOESY-HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 17 '3D 13C NOESY-HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 18 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 1 19 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27606 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 27606 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27606 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 27606 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27606 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 27606 _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' . . . 27606 1 2 '3D HNCO' . . . 27606 1 3 '3D HN(CA)CO' . . . 27606 1 4 '3D CBCA(CO)NH' . . . 27606 1 5 '3D HNCACB' . . . 27606 1 6 '3D (H)CC(CO)NH' . . . 27606 1 7 '3D 15N NOESY-HSQC' . . . 27606 1 8 '2D 1H-13C HSQC aliphatic' . . . 27606 1 9 '2D 1H-13C HSQC aliphatic aliased' . . . 27606 1 10 '2D 1H-13C HSQC aromatic' . . . 27606 1 11 '3D H(CC)(CO)NH' . . . 27606 1 12 '3D HBHA(CO)NH' . . . 27606 1 13 '3D HBHANH' . . . 27606 1 14 '3D HCCH-COSY' . . . 27606 1 15 '3D HCCH-TOCSY' . . . 27606 1 16 '3D 13C NOESY-HSQC aliphatic' . . . 27606 1 17 '3D 13C NOESY-HSQC aromatic' . . . 27606 1 18 '2D (HB)CB(CGCD)HD' . . . 27606 1 19 '2D (HB)CB(CGCDCE)HE' . . . 27606 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.263 0.030 . 1 . . . . . 1 GLY H . 27606 1 2 . 1 1 1 1 GLY HA2 H 1 3.925 0.030 . 1 . . . . . 1 GLY HA2 . 27606 1 3 . 1 1 1 1 GLY HA3 H 1 3.925 0.030 . 1 . . . . . 1 GLY HA3 . 27606 1 4 . 1 1 1 1 GLY C C 13 172.786 0.300 . 1 . . . . . 1 GLY C . 27606 1 5 . 1 1 1 1 GLY CA C 13 45.092 0.300 . 1 . . . . . 1 GLY CA . 27606 1 6 . 1 1 1 1 GLY N N 15 109.419 0.300 . 1 . . . . . 1 GLY N . 27606 1 7 . 1 1 2 2 PRO HA H 1 4.461 0.030 . 1 . . . . . 2 PRO HA . 27606 1 8 . 1 1 2 2 PRO HB2 H 1 2.316 0.030 . 2 . . . . . 2 PRO HB2 . 27606 1 9 . 1 1 2 2 PRO HB3 H 1 1.951 0.030 . 2 . . . . . 2 PRO HB3 . 27606 1 10 . 1 1 2 2 PRO HG2 H 1 2.002 0.030 . 1 . . . . . 2 PRO HG2 . 27606 1 11 . 1 1 2 2 PRO HG3 H 1 2.002 0.030 . 1 . . . . . 2 PRO HG3 . 27606 1 12 . 1 1 2 2 PRO HD2 H 1 3.573 0.030 . 1 . . . . . 2 PRO HD2 . 27606 1 13 . 1 1 2 2 PRO HD3 H 1 3.573 0.030 . 1 . . . . . 2 PRO HD3 . 27606 1 14 . 1 1 2 2 PRO C C 13 177.033 0.300 . 1 . . . . . 2 PRO C . 27606 1 15 . 1 1 2 2 PRO CA C 13 63.050 0.300 . 1 . . . . . 2 PRO CA . 27606 1 16 . 1 1 2 2 PRO CB C 13 32.201 0.300 . 1 . . . . . 2 PRO CB . 27606 1 17 . 1 1 2 2 PRO CG C 13 27.275 0.300 . 1 . . . . . 2 PRO CG . 27606 1 18 . 1 1 2 2 PRO CD C 13 49.682 0.300 . 1 . . . . . 2 PRO CD . 27606 1 19 . 1 1 3 3 LEU H H 1 8.540 0.030 . 1 . . . . . 3 LEU H . 27606 1 20 . 1 1 3 3 LEU HA H 1 4.338 0.030 . 1 . . . . . 3 LEU HA . 27606 1 21 . 1 1 3 3 LEU HB2 H 1 1.685 0.030 . 1 . . . . . 3 LEU HB2 . 27606 1 22 . 1 1 3 3 LEU HB3 H 1 1.685 0.030 . 1 . . . . . 3 LEU HB3 . 27606 1 23 . 1 1 3 3 LEU HG H 1 1.662 0.030 . 1 . . . . . 3 LEU HG . 27606 1 24 . 1 1 3 3 LEU HD11 H 1 0.942 0.030 . 2 . . . . . 3 LEU HD1 . 27606 1 25 . 1 1 3 3 LEU HD12 H 1 0.942 0.030 . 2 . . . . . 3 LEU HD1 . 27606 1 26 . 1 1 3 3 LEU HD13 H 1 0.942 0.030 . 2 . . . . . 3 LEU HD1 . 27606 1 27 . 1 1 3 3 LEU HD21 H 1 0.895 0.030 . 2 . . . . . 3 LEU HD2 . 27606 1 28 . 1 1 3 3 LEU HD22 H 1 0.895 0.030 . 2 . . . . . 3 LEU HD2 . 27606 1 29 . 1 1 3 3 LEU HD23 H 1 0.895 0.030 . 2 . . . . . 3 LEU HD2 . 27606 1 30 . 1 1 3 3 LEU C C 13 177.950 0.300 . 1 . . . . . 3 LEU C . 27606 1 31 . 1 1 3 3 LEU CA C 13 55.517 0.300 . 1 . . . . . 3 LEU CA . 27606 1 32 . 1 1 3 3 LEU CB C 13 42.210 0.300 . 1 . . . . . 3 LEU CB . 27606 1 33 . 1 1 3 3 LEU CG C 13 27.023 0.300 . 1 . . . . . 3 LEU CG . 27606 1 34 . 1 1 3 3 LEU CD1 C 13 24.792 0.300 . 2 . . . . . 3 LEU CD1 . 27606 1 35 . 1 1 3 3 LEU CD2 C 13 23.480 0.300 . 2 . . . . . 3 LEU CD2 . 27606 1 36 . 1 1 3 3 LEU N N 15 122.413 0.300 . 1 . . . . . 3 LEU N . 27606 1 37 . 1 1 4 4 GLY H H 1 8.427 0.030 . 1 . . . . . 4 GLY H . 27606 1 38 . 1 1 4 4 GLY HA2 H 1 3.981 0.030 . 1 . . . . . 4 GLY HA2 . 27606 1 39 . 1 1 4 4 GLY HA3 H 1 3.981 0.030 . 1 . . . . . 4 GLY HA3 . 27606 1 40 . 1 1 4 4 GLY C C 13 173.919 0.300 . 1 . . . . . 4 GLY C . 27606 1 41 . 1 1 4 4 GLY CA C 13 45.067 0.300 . 1 . . . . . 4 GLY CA . 27606 1 42 . 1 1 4 4 GLY N N 15 110.009 0.300 . 1 . . . . . 4 GLY N . 27606 1 43 . 1 1 5 5 SER H H 1 8.107 0.030 . 1 . . . . . 5 SER H . 27606 1 44 . 1 1 5 5 SER HA H 1 4.770 0.030 . 1 . . . . . 5 SER HA . 27606 1 45 . 1 1 5 5 SER HB2 H 1 3.868 0.030 . 2 . . . . . 5 SER HB2 . 27606 1 46 . 1 1 5 5 SER HB3 H 1 3.811 0.030 . 2 . . . . . 5 SER HB3 . 27606 1 47 . 1 1 5 5 SER C C 13 172.613 0.300 . 1 . . . . . 5 SER C . 27606 1 48 . 1 1 5 5 SER CA C 13 56.475 0.300 . 1 . . . . . 5 SER CA . 27606 1 49 . 1 1 5 5 SER CB C 13 63.424 0.300 . 1 . . . . . 5 SER CB . 27606 1 50 . 1 1 5 5 SER N N 15 117.041 0.300 . 1 . . . . . 5 SER N . 27606 1 51 . 1 1 6 6 PRO HA H 1 4.461 0.030 . 1 . . . . . 6 PRO HA . 27606 1 52 . 1 1 6 6 PRO HB2 H 1 2.261 0.030 . 2 . . . . . 6 PRO HB2 . 27606 1 53 . 1 1 6 6 PRO HB3 H 1 1.910 0.030 . 2 . . . . . 6 PRO HB3 . 27606 1 54 . 1 1 6 6 PRO HG2 H 1 2.011 0.030 . 1 . . . . . 6 PRO HG2 . 27606 1 55 . 1 1 6 6 PRO HG3 H 1 2.011 0.030 . 1 . . . . . 6 PRO HG3 . 27606 1 56 . 1 1 6 6 PRO HD2 H 1 3.691 0.030 . 2 . . . . . 6 PRO HD2 . 27606 1 57 . 1 1 6 6 PRO HD3 H 1 3.805 0.030 . 2 . . . . . 6 PRO HD3 . 27606 1 58 . 1 1 6 6 PRO C C 13 176.718 0.300 . 1 . . . . . 6 PRO C . 27606 1 59 . 1 1 6 6 PRO CA C 13 63.045 0.300 . 1 . . . . . 6 PRO CA . 27606 1 60 . 1 1 6 6 PRO CB C 13 32.098 0.300 . 1 . . . . . 6 PRO CB . 27606 1 61 . 1 1 6 6 PRO CG C 13 27.189 0.300 . 1 . . . . . 6 PRO CG . 27606 1 62 . 1 1 6 6 PRO CD C 13 50.710 0.300 . 1 . . . . . 6 PRO CD . 27606 1 63 . 1 1 7 7 GLU H H 1 8.417 0.030 . 1 . . . . . 7 GLU H . 27606 1 64 . 1 1 7 7 GLU HA H 1 4.528 0.030 . 1 . . . . . 7 GLU HA . 27606 1 65 . 1 1 7 7 GLU HB2 H 1 1.863 0.030 . 2 . . . . . 7 GLU HB2 . 27606 1 66 . 1 1 7 7 GLU HB3 H 1 2.048 0.030 . 2 . . . . . 7 GLU HB3 . 27606 1 67 . 1 1 7 7 GLU HG2 H 1 2.314 0.030 . 1 . . . . . 7 GLU HG2 . 27606 1 68 . 1 1 7 7 GLU HG3 H 1 2.314 0.030 . 1 . . . . . 7 GLU HG3 . 27606 1 69 . 1 1 7 7 GLU C C 13 174.651 0.300 . 1 . . . . . 7 GLU C . 27606 1 70 . 1 1 7 7 GLU CA C 13 54.417 0.300 . 1 . . . . . 7 GLU CA . 27606 1 71 . 1 1 7 7 GLU CB C 13 29.673 0.300 . 1 . . . . . 7 GLU CB . 27606 1 72 . 1 1 7 7 GLU CG C 13 36.063 0.300 . 1 . . . . . 7 GLU CG . 27606 1 73 . 1 1 7 7 GLU N N 15 122.876 0.300 . 1 . . . . . 7 GLU N . 27606 1 74 . 1 1 8 8 PRO HA H 1 4.445 0.030 . 1 . . . . . 8 PRO HA . 27606 1 75 . 1 1 8 8 PRO HB2 H 1 2.243 0.030 . 2 . . . . . 8 PRO HB2 . 27606 1 76 . 1 1 8 8 PRO HB3 H 1 1.815 0.030 . 2 . . . . . 8 PRO HB3 . 27606 1 77 . 1 1 8 8 PRO HG2 H 1 1.973 0.030 . 1 . . . . . 8 PRO HG2 . 27606 1 78 . 1 1 8 8 PRO HG3 H 1 1.973 0.030 . 1 . . . . . 8 PRO HG3 . 27606 1 79 . 1 1 8 8 PRO HD2 H 1 3.617 0.030 . 2 . . . . . 8 PRO HD2 . 27606 1 80 . 1 1 8 8 PRO HD3 H 1 3.698 0.030 . 2 . . . . . 8 PRO HD3 . 27606 1 81 . 1 1 8 8 PRO C C 13 176.506 0.300 . 1 . . . . . 8 PRO C . 27606 1 82 . 1 1 8 8 PRO CA C 13 62.976 0.300 . 1 . . . . . 8 PRO CA . 27606 1 83 . 1 1 8 8 PRO CB C 13 32.052 0.300 . 1 . . . . . 8 PRO CB . 27606 1 84 . 1 1 8 8 PRO CG C 13 27.286 0.300 . 1 . . . . . 8 PRO CG . 27606 1 85 . 1 1 8 8 PRO CD C 13 50.722 0.300 . 1 . . . . . 8 PRO CD . 27606 1 86 . 1 1 9 9 VAL H H 1 8.201 0.030 . 1 . . . . . 9 VAL H . 27606 1 87 . 1 1 9 9 VAL HA H 1 4.150 0.030 . 1 . . . . . 9 VAL HA . 27606 1 88 . 1 1 9 9 VAL HB H 1 2.066 0.030 . 1 . . . . . 9 VAL HB . 27606 1 89 . 1 1 9 9 VAL HG11 H 1 1.004 0.030 . 2 . . . . . 9 VAL HG1 . 27606 1 90 . 1 1 9 9 VAL HG12 H 1 1.004 0.030 . 2 . . . . . 9 VAL HG1 . 27606 1 91 . 1 1 9 9 VAL HG13 H 1 1.004 0.030 . 2 . . . . . 9 VAL HG1 . 27606 1 92 . 1 1 9 9 VAL HG21 H 1 0.963 0.030 . 2 . . . . . 9 VAL HG2 . 27606 1 93 . 1 1 9 9 VAL HG22 H 1 0.963 0.030 . 2 . . . . . 9 VAL HG2 . 27606 1 94 . 1 1 9 9 VAL HG23 H 1 0.963 0.030 . 2 . . . . . 9 VAL HG2 . 27606 1 95 . 1 1 9 9 VAL C C 13 175.832 0.300 . 1 . . . . . 9 VAL C . 27606 1 96 . 1 1 9 9 VAL CA C 13 62.181 0.300 . 1 . . . . . 9 VAL CA . 27606 1 97 . 1 1 9 9 VAL CB C 13 32.857 0.300 . 1 . . . . . 9 VAL CB . 27606 1 98 . 1 1 9 9 VAL CG1 C 13 20.673 0.300 . 2 . . . . . 9 VAL CG1 . 27606 1 99 . 1 1 9 9 VAL CG2 C 13 21.248 0.300 . 2 . . . . . 9 VAL CG2 . 27606 1 100 . 1 1 9 9 VAL N N 15 120.568 0.300 . 1 . . . . . 9 VAL N . 27606 1 101 . 1 1 10 10 GLY H H 1 7.972 0.030 . 1 . . . . . 10 GLY H . 27606 1 102 . 1 1 10 10 GLY HA2 H 1 4.386 0.030 . 2 . . . . . 10 GLY HA2 . 27606 1 103 . 1 1 10 10 GLY HA3 H 1 3.713 0.030 . 2 . . . . . 10 GLY HA3 . 27606 1 104 . 1 1 10 10 GLY C C 13 171.962 0.300 . 1 . . . . . 10 GLY C . 27606 1 105 . 1 1 10 10 GLY CA C 13 44.822 0.300 . 1 . . . . . 10 GLY CA . 27606 1 106 . 1 1 10 10 GLY N N 15 111.499 0.300 . 1 . . . . . 10 GLY N . 27606 1 107 . 1 1 11 11 TRP H H 1 7.828 0.030 . 1 . . . . . 11 TRP H . 27606 1 108 . 1 1 11 11 TRP HA H 1 4.590 0.030 . 1 . . . . . 11 TRP HA . 27606 1 109 . 1 1 11 11 TRP HB2 H 1 2.503 0.030 . 2 . . . . . 11 TRP HB2 . 27606 1 110 . 1 1 11 11 TRP HB3 H 1 1.206 0.030 . 2 . . . . . 11 TRP HB3 . 27606 1 111 . 1 1 11 11 TRP HD1 H 1 6.691 0.030 . 1 . . . . . 11 TRP HD1 . 27606 1 112 . 1 1 11 11 TRP HE1 H 1 10.027 0.030 . 1 . . . . . 11 TRP HE1 . 27606 1 113 . 1 1 11 11 TRP HE3 H 1 7.061 0.030 . 1 . . . . . 11 TRP HE3 . 27606 1 114 . 1 1 11 11 TRP HZ2 H 1 6.751 0.030 . 1 . . . . . 11 TRP HZ2 . 27606 1 115 . 1 1 11 11 TRP HZ3 H 1 7.037 0.030 . 1 . . . . . 11 TRP HZ3 . 27606 1 116 . 1 1 11 11 TRP HH2 H 1 6.746 0.030 . 1 . . . . . 11 TRP HH2 . 27606 1 117 . 1 1 11 11 TRP C C 13 174.584 0.300 . 1 . . . . . 11 TRP C . 27606 1 118 . 1 1 11 11 TRP CA C 13 52.524 0.300 . 1 . . . . . 11 TRP CA . 27606 1 119 . 1 1 11 11 TRP CB C 13 28.832 0.300 . 1 . . . . . 11 TRP CB . 27606 1 120 . 1 1 11 11 TRP CD1 C 13 128.150 0.300 . 1 . . . . . 11 TRP CD1 . 27606 1 121 . 1 1 11 11 TRP CE3 C 13 118.349 0.300 . 1 . . . . . 11 TRP CE3 . 27606 1 122 . 1 1 11 11 TRP CZ2 C 13 113.776 0.300 . 1 . . . . . 11 TRP CZ2 . 27606 1 123 . 1 1 11 11 TRP CZ3 C 13 120.635 0.300 . 1 . . . . . 11 TRP CZ3 . 27606 1 124 . 1 1 11 11 TRP CH2 C 13 124.938 0.300 . 1 . . . . . 11 TRP CH2 . 27606 1 125 . 1 1 11 11 TRP N N 15 115.505 0.300 . 1 . . . . . 11 TRP N . 27606 1 126 . 1 1 11 11 TRP NE1 N 15 131.518 0.300 . 1 . . . . . 11 TRP NE1 . 27606 1 127 . 1 1 12 12 GLN H H 1 8.861 0.030 . 1 . . . . . 12 GLN H . 27606 1 128 . 1 1 12 12 GLN HA H 1 4.222 0.030 . 1 . . . . . 12 GLN HA . 27606 1 129 . 1 1 12 12 GLN HB2 H 1 2.022 0.030 . 1 . . . . . 12 GLN HB2 . 27606 1 130 . 1 1 12 12 GLN HB3 H 1 2.022 0.030 . 1 . . . . . 12 GLN HB3 . 27606 1 131 . 1 1 12 12 GLN HG2 H 1 2.051 0.030 . 2 . . . . . 12 GLN HG2 . 27606 1 132 . 1 1 12 12 GLN HG3 H 1 1.900 0.030 . 2 . . . . . 12 GLN HG3 . 27606 1 133 . 1 1 12 12 GLN HE21 H 1 7.624 0.030 . 2 . . . . . 12 GLN HE21 . 27606 1 134 . 1 1 12 12 GLN HE22 H 1 6.912 0.030 . 2 . . . . . 12 GLN HE22 . 27606 1 135 . 1 1 12 12 GLN C C 13 175.396 0.300 . 1 . . . . . 12 GLN C . 27606 1 136 . 1 1 12 12 GLN CA C 13 54.982 0.300 . 1 . . . . . 12 GLN CA . 27606 1 137 . 1 1 12 12 GLN CB C 13 28.632 0.300 . 1 . . . . . 12 GLN CB . 27606 1 138 . 1 1 12 12 GLN CG C 13 33.720 0.300 . 1 . . . . . 12 GLN CG . 27606 1 139 . 1 1 12 12 GLN N N 15 124.700 0.300 . 1 . . . . . 12 GLN N . 27606 1 140 . 1 1 12 12 GLN NE2 N 15 112.135 0.300 . 1 . . . . . 12 GLN NE2 . 27606 1 141 . 1 1 13 13 CYS H H 1 9.241 0.030 . 1 . . . . . 13 CYS H . 27606 1 142 . 1 1 13 13 CYS HA H 1 4.875 0.030 . 1 . . . . . 13 CYS HA . 27606 1 143 . 1 1 13 13 CYS HB2 H 1 2.732 0.030 . 2 . . . . . 13 CYS HB2 . 27606 1 144 . 1 1 13 13 CYS HB3 H 1 3.277 0.030 . 2 . . . . . 13 CYS HB3 . 27606 1 145 . 1 1 13 13 CYS C C 13 176.574 0.300 . 1 . . . . . 13 CYS C . 27606 1 146 . 1 1 13 13 CYS CA C 13 57.559 0.300 . 1 . . . . . 13 CYS CA . 27606 1 147 . 1 1 13 13 CYS CB C 13 31.854 0.300 . 1 . . . . . 13 CYS CB . 27606 1 148 . 1 1 13 13 CYS N N 15 133.955 0.300 . 1 . . . . . 13 CYS N . 27606 1 149 . 1 1 14 14 PRO HA H 1 4.550 0.030 . 1 . . . . . 14 PRO HA . 27606 1 150 . 1 1 14 14 PRO HB2 H 1 2.471 0.030 . 2 . . . . . 14 PRO HB2 . 27606 1 151 . 1 1 14 14 PRO HB3 H 1 1.991 0.030 . 2 . . . . . 14 PRO HB3 . 27606 1 152 . 1 1 14 14 PRO HG2 H 1 2.015 0.030 . 1 . . . . . 14 PRO HG2 . 27606 1 153 . 1 1 14 14 PRO HG3 H 1 2.015 0.030 . 1 . . . . . 14 PRO HG3 . 27606 1 154 . 1 1 14 14 PRO HD2 H 1 4.301 0.030 . 2 . . . . . 14 PRO HD2 . 27606 1 155 . 1 1 14 14 PRO HD3 H 1 4.402 0.030 . 2 . . . . . 14 PRO HD3 . 27606 1 156 . 1 1 14 14 PRO C C 13 177.143 0.300 . 1 . . . . . 14 PRO C . 27606 1 157 . 1 1 14 14 PRO CA C 13 63.972 0.300 . 1 . . . . . 14 PRO CA . 27606 1 158 . 1 1 14 14 PRO CB C 13 32.376 0.300 . 1 . . . . . 14 PRO CB . 27606 1 159 . 1 1 14 14 PRO CG C 13 27.358 0.300 . 1 . . . . . 14 PRO CG . 27606 1 160 . 1 1 14 14 PRO CD C 13 51.277 0.300 . 1 . . . . . 14 PRO CD . 27606 1 161 . 1 1 15 15 GLY H H 1 9.544 0.030 . 1 . . . . . 15 GLY H . 27606 1 162 . 1 1 15 15 GLY HA2 H 1 4.136 0.030 . 2 . . . . . 15 GLY HA2 . 27606 1 163 . 1 1 15 15 GLY HA3 H 1 3.705 0.030 . 2 . . . . . 15 GLY HA3 . 27606 1 164 . 1 1 15 15 GLY C C 13 174.820 0.300 . 1 . . . . . 15 GLY C . 27606 1 165 . 1 1 15 15 GLY CA C 13 46.229 0.300 . 1 . . . . . 15 GLY CA . 27606 1 166 . 1 1 15 15 GLY N N 15 110.879 0.300 . 1 . . . . . 15 GLY N . 27606 1 167 . 1 1 16 16 CYS H H 1 8.667 0.030 . 1 . . . . . 16 CYS H . 27606 1 168 . 1 1 16 16 CYS HA H 1 5.162 0.030 . 1 . . . . . 16 CYS HA . 27606 1 169 . 1 1 16 16 CYS HB2 H 1 3.253 0.030 . 2 . . . . . 16 CYS HB2 . 27606 1 170 . 1 1 16 16 CYS HB3 H 1 2.576 0.030 . 2 . . . . . 16 CYS HB3 . 27606 1 171 . 1 1 16 16 CYS C C 13 178.216 0.300 . 1 . . . . . 16 CYS C . 27606 1 172 . 1 1 16 16 CYS CA C 13 59.063 0.300 . 1 . . . . . 16 CYS CA . 27606 1 173 . 1 1 16 16 CYS CB C 13 32.786 0.300 . 1 . . . . . 16 CYS CB . 27606 1 174 . 1 1 16 16 CYS N N 15 121.260 0.300 . 1 . . . . . 16 CYS N . 27606 1 175 . 1 1 17 17 THR H H 1 8.087 0.030 . 1 . . . . . 17 THR H . 27606 1 176 . 1 1 17 17 THR HA H 1 4.152 0.030 . 1 . . . . . 17 THR HA . 27606 1 177 . 1 1 17 17 THR HB H 1 4.437 0.030 . 1 . . . . . 17 THR HB . 27606 1 178 . 1 1 17 17 THR HG21 H 1 1.158 0.030 . 1 . . . . . 17 THR HG2 . 27606 1 179 . 1 1 17 17 THR HG22 H 1 1.158 0.030 . 1 . . . . . 17 THR HG2 . 27606 1 180 . 1 1 17 17 THR HG23 H 1 1.158 0.030 . 1 . . . . . 17 THR HG2 . 27606 1 181 . 1 1 17 17 THR C C 13 172.197 0.300 . 1 . . . . . 17 THR C . 27606 1 182 . 1 1 17 17 THR CA C 13 66.212 0.300 . 1 . . . . . 17 THR CA . 27606 1 183 . 1 1 17 17 THR CB C 13 70.068 0.300 . 1 . . . . . 17 THR CB . 27606 1 184 . 1 1 17 17 THR CG2 C 13 21.619 0.300 . 1 . . . . . 17 THR CG2 . 27606 1 185 . 1 1 17 17 THR N N 15 117.378 0.300 . 1 . . . . . 17 THR N . 27606 1 186 . 1 1 18 18 PHE H H 1 8.983 0.030 . 1 . . . . . 18 PHE H . 27606 1 187 . 1 1 18 18 PHE HA H 1 4.162 0.030 . 1 . . . . . 18 PHE HA . 27606 1 188 . 1 1 18 18 PHE HB2 H 1 3.294 0.030 . 2 . . . . . 18 PHE HB2 . 27606 1 189 . 1 1 18 18 PHE HB3 H 1 2.617 0.030 . 2 . . . . . 18 PHE HB3 . 27606 1 190 . 1 1 18 18 PHE HD1 H 1 7.199 0.030 . 3 . . . . . 18 PHE HD1 . 27606 1 191 . 1 1 18 18 PHE HD2 H 1 7.005 0.030 . 3 . . . . . 18 PHE HD2 . 27606 1 192 . 1 1 18 18 PHE HE1 H 1 7.204 0.030 . 1 . . . . . 18 PHE HE1 . 27606 1 193 . 1 1 18 18 PHE HE2 H 1 7.204 0.030 . 1 . . . . . 18 PHE HE2 . 27606 1 194 . 1 1 18 18 PHE HZ H 1 7.193 0.030 . 1 . . . . . 18 PHE HZ . 27606 1 195 . 1 1 18 18 PHE C C 13 174.541 0.300 . 1 . . . . . 18 PHE C . 27606 1 196 . 1 1 18 18 PHE CA C 13 60.560 0.300 . 1 . . . . . 18 PHE CA . 27606 1 197 . 1 1 18 18 PHE CB C 13 41.292 0.300 . 1 . . . . . 18 PHE CB . 27606 1 198 . 1 1 18 18 PHE CD1 C 13 131.907 0.300 . 3 . . . . . 18 PHE CD1 . 27606 1 199 . 1 1 18 18 PHE CD2 C 13 131.896 0.300 . 3 . . . . . 18 PHE CD2 . 27606 1 200 . 1 1 18 18 PHE CE1 C 13 129.732 0.300 . 3 . . . . . 18 PHE CE1 . 27606 1 201 . 1 1 18 18 PHE CE2 C 13 129.732 0.300 . 3 . . . . . 18 PHE CE2 . 27606 1 202 . 1 1 18 18 PHE CZ C 13 124.834 0.300 . 1 . . . . . 18 PHE CZ . 27606 1 203 . 1 1 18 18 PHE N N 15 128.116 0.300 . 1 . . . . . 18 PHE N . 27606 1 204 . 1 1 19 19 ILE H H 1 7.002 0.030 . 1 . . . . . 19 ILE H . 27606 1 205 . 1 1 19 19 ILE HA H 1 3.951 0.030 . 1 . . . . . 19 ILE HA . 27606 1 206 . 1 1 19 19 ILE HB H 1 1.334 0.030 . 1 . . . . . 19 ILE HB . 27606 1 207 . 1 1 19 19 ILE HG12 H 1 0.729 0.030 . 2 . . . . . 19 ILE HG12 . 27606 1 208 . 1 1 19 19 ILE HG13 H 1 1.432 0.030 . 2 . . . . . 19 ILE HG13 . 27606 1 209 . 1 1 19 19 ILE HG21 H 1 0.290 0.030 . 1 . . . . . 19 ILE HG2 . 27606 1 210 . 1 1 19 19 ILE HG22 H 1 0.290 0.030 . 1 . . . . . 19 ILE HG2 . 27606 1 211 . 1 1 19 19 ILE HG23 H 1 0.290 0.030 . 1 . . . . . 19 ILE HG2 . 27606 1 212 . 1 1 19 19 ILE HD11 H 1 0.658 0.030 . 1 . . . . . 19 ILE HD1 . 27606 1 213 . 1 1 19 19 ILE HD12 H 1 0.658 0.030 . 1 . . . . . 19 ILE HD1 . 27606 1 214 . 1 1 19 19 ILE HD13 H 1 0.658 0.030 . 1 . . . . . 19 ILE HD1 . 27606 1 215 . 1 1 19 19 ILE C C 13 173.972 0.300 . 1 . . . . . 19 ILE C . 27606 1 216 . 1 1 19 19 ILE CA C 13 60.290 0.300 . 1 . . . . . 19 ILE CA . 27606 1 217 . 1 1 19 19 ILE CB C 13 35.998 0.300 . 1 . . . . . 19 ILE CB . 27606 1 218 . 1 1 19 19 ILE CG1 C 13 27.487 0.300 . 1 . . . . . 19 ILE CG1 . 27606 1 219 . 1 1 19 19 ILE CG2 C 13 16.941 0.300 . 1 . . . . . 19 ILE CG2 . 27606 1 220 . 1 1 19 19 ILE CD1 C 13 11.969 0.300 . 1 . . . . . 19 ILE CD1 . 27606 1 221 . 1 1 19 19 ILE N N 15 125.506 0.300 . 1 . . . . . 19 ILE N . 27606 1 222 . 1 1 20 20 ASN H H 1 8.218 0.030 . 1 . . . . . 20 ASN H . 27606 1 223 . 1 1 20 20 ASN HA H 1 4.494 0.030 . 1 . . . . . 20 ASN HA . 27606 1 224 . 1 1 20 20 ASN HB2 H 1 1.691 0.030 . 2 . . . . . 20 ASN HB2 . 27606 1 225 . 1 1 20 20 ASN HB3 H 1 0.083 0.030 . 2 . . . . . 20 ASN HB3 . 27606 1 226 . 1 1 20 20 ASN C C 13 174.232 0.300 . 1 . . . . . 20 ASN C . 27606 1 227 . 1 1 20 20 ASN CA C 13 52.543 0.300 . 1 . . . . . 20 ASN CA . 27606 1 228 . 1 1 20 20 ASN CB C 13 43.179 0.300 . 1 . . . . . 20 ASN CB . 27606 1 229 . 1 1 20 20 ASN N N 15 126.243 0.300 . 1 . . . . . 20 ASN N . 27606 1 230 . 1 1 21 21 LYS H H 1 8.431 0.030 . 1 . . . . . 21 LYS H . 27606 1 231 . 1 1 21 21 LYS HA H 1 4.409 0.030 . 1 . . . . . 21 LYS HA . 27606 1 232 . 1 1 21 21 LYS HB2 H 1 1.697 0.030 . 2 . . . . . 21 LYS HB2 . 27606 1 233 . 1 1 21 21 LYS HB3 H 1 1.982 0.030 . 2 . . . . . 21 LYS HB3 . 27606 1 234 . 1 1 21 21 LYS HG2 H 1 1.591 0.030 . 2 . . . . . 21 LYS HG2 . 27606 1 235 . 1 1 21 21 LYS HG3 H 1 1.714 0.030 . 2 . . . . . 21 LYS HG3 . 27606 1 236 . 1 1 21 21 LYS HD2 H 1 1.719 0.030 . 2 . . . . . 21 LYS HD2 . 27606 1 237 . 1 1 21 21 LYS HD3 H 1 1.846 0.030 . 2 . . . . . 21 LYS HD3 . 27606 1 238 . 1 1 21 21 LYS HE2 H 1 3.094 0.030 . 1 . . . . . 21 LYS HE2 . 27606 1 239 . 1 1 21 21 LYS HE3 H 1 3.094 0.030 . 1 . . . . . 21 LYS HE3 . 27606 1 240 . 1 1 21 21 LYS C C 13 176.306 0.300 . 1 . . . . . 21 LYS C . 27606 1 241 . 1 1 21 21 LYS CA C 13 55.085 0.300 . 1 . . . . . 21 LYS CA . 27606 1 242 . 1 1 21 21 LYS CB C 13 31.680 0.300 . 1 . . . . . 21 LYS CB . 27606 1 243 . 1 1 21 21 LYS CG C 13 25.732 0.300 . 1 . . . . . 21 LYS CG . 27606 1 244 . 1 1 21 21 LYS CD C 13 29.471 0.300 . 1 . . . . . 21 LYS CD . 27606 1 245 . 1 1 21 21 LYS CE C 13 42.342 0.300 . 1 . . . . . 21 LYS CE . 27606 1 246 . 1 1 21 21 LYS N N 15 119.580 0.300 . 1 . . . . . 21 LYS N . 27606 1 247 . 1 1 22 22 PRO HA H 1 4.331 0.030 . 1 . . . . . 22 PRO HA . 27606 1 248 . 1 1 22 22 PRO HB2 H 1 2.632 0.030 . 2 . . . . . 22 PRO HB2 . 27606 1 249 . 1 1 22 22 PRO HB3 H 1 1.658 0.030 . 2 . . . . . 22 PRO HB3 . 27606 1 250 . 1 1 22 22 PRO HG2 H 1 1.300 0.030 . 1 . . . . . 22 PRO HG2 . 27606 1 251 . 1 1 22 22 PRO HG3 H 1 1.300 0.030 . 1 . . . . . 22 PRO HG3 . 27606 1 252 . 1 1 22 22 PRO HD2 H 1 3.872 0.030 . 2 . . . . . 22 PRO HD2 . 27606 1 253 . 1 1 22 22 PRO HD3 H 1 3.505 0.030 . 2 . . . . . 22 PRO HD3 . 27606 1 254 . 1 1 22 22 PRO C C 13 176.220 0.300 . 1 . . . . . 22 PRO C . 27606 1 255 . 1 1 22 22 PRO CA C 13 66.532 0.300 . 1 . . . . . 22 PRO CA . 27606 1 256 . 1 1 22 22 PRO CB C 13 34.409 0.300 . 1 . . . . . 22 PRO CB . 27606 1 257 . 1 1 22 22 PRO CG C 13 26.947 0.300 . 1 . . . . . 22 PRO CG . 27606 1 258 . 1 1 22 22 PRO CD C 13 50.014 0.300 . 1 . . . . . 22 PRO CD . 27606 1 259 . 1 1 23 23 THR H H 1 6.945 0.030 . 1 . . . . . 23 THR H . 27606 1 260 . 1 1 23 23 THR HA H 1 4.038 0.030 . 1 . . . . . 23 THR HA . 27606 1 261 . 1 1 23 23 THR HB H 1 4.632 0.030 . 1 . . . . . 23 THR HB . 27606 1 262 . 1 1 23 23 THR HG21 H 1 1.350 0.030 . 1 . . . . . 23 THR HG2 . 27606 1 263 . 1 1 23 23 THR HG22 H 1 1.350 0.030 . 1 . . . . . 23 THR HG2 . 27606 1 264 . 1 1 23 23 THR HG23 H 1 1.350 0.030 . 1 . . . . . 23 THR HG2 . 27606 1 265 . 1 1 23 23 THR C C 13 175.335 0.300 . 1 . . . . . 23 THR C . 27606 1 266 . 1 1 23 23 THR CA C 13 61.222 0.300 . 1 . . . . . 23 THR CA . 27606 1 267 . 1 1 23 23 THR CB C 13 69.007 0.300 . 1 . . . . . 23 THR CB . 27606 1 268 . 1 1 23 23 THR CG2 C 13 22.813 0.300 . 1 . . . . . 23 THR CG2 . 27606 1 269 . 1 1 23 23 THR N N 15 97.427 0.300 . 1 . . . . . 23 THR N . 27606 1 270 . 1 1 24 24 ARG H H 1 8.155 0.030 . 1 . . . . . 24 ARG H . 27606 1 271 . 1 1 24 24 ARG HA H 1 4.745 0.030 . 1 . . . . . 24 ARG HA . 27606 1 272 . 1 1 24 24 ARG HB2 H 1 2.205 0.030 . 2 . . . . . 24 ARG HB2 . 27606 1 273 . 1 1 24 24 ARG HB3 H 1 2.066 0.030 . 2 . . . . . 24 ARG HB3 . 27606 1 274 . 1 1 24 24 ARG HD2 H 1 3.525 0.030 . 1 . . . . . 24 ARG HD2 . 27606 1 275 . 1 1 24 24 ARG HD3 H 1 3.525 0.030 . 1 . . . . . 24 ARG HD3 . 27606 1 276 . 1 1 24 24 ARG C C 13 176.938 0.300 . 1 . . . . . 24 ARG C . 27606 1 277 . 1 1 24 24 ARG CA C 13 54.252 0.300 . 1 . . . . . 24 ARG CA . 27606 1 278 . 1 1 24 24 ARG CB C 13 31.315 0.300 . 1 . . . . . 24 ARG CB . 27606 1 279 . 1 1 24 24 ARG CD C 13 43.952 0.300 . 1 . . . . . 24 ARG CD . 27606 1 280 . 1 1 24 24 ARG N N 15 126.166 0.300 . 1 . . . . . 24 ARG N . 27606 1 281 . 1 1 25 25 PRO HA H 1 4.298 0.030 . 1 . . . . . 25 PRO HA . 27606 1 282 . 1 1 25 25 PRO HB2 H 1 2.216 0.030 . 2 . . . . . 25 PRO HB2 . 27606 1 283 . 1 1 25 25 PRO HB3 H 1 2.085 0.030 . 2 . . . . . 25 PRO HB3 . 27606 1 284 . 1 1 25 25 PRO HG2 H 1 2.114 0.030 . 1 . . . . . 25 PRO HG2 . 27606 1 285 . 1 1 25 25 PRO HG3 H 1 2.114 0.030 . 1 . . . . . 25 PRO HG3 . 27606 1 286 . 1 1 25 25 PRO HD2 H 1 3.962 0.030 . 2 . . . . . 25 PRO HD2 . 27606 1 287 . 1 1 25 25 PRO HD3 H 1 4.298 0.030 . 2 . . . . . 25 PRO HD3 . 27606 1 288 . 1 1 25 25 PRO C C 13 176.056 0.300 . 1 . . . . . 25 PRO C . 27606 1 289 . 1 1 25 25 PRO CA C 13 64.352 0.300 . 1 . . . . . 25 PRO CA . 27606 1 290 . 1 1 25 25 PRO CB C 13 31.983 0.300 . 1 . . . . . 25 PRO CB . 27606 1 291 . 1 1 25 25 PRO CG C 13 26.985 0.300 . 1 . . . . . 25 PRO CG . 27606 1 292 . 1 1 25 25 PRO CD C 13 51.249 0.300 . 1 . . . . . 25 PRO CD . 27606 1 293 . 1 1 26 26 GLY H H 1 7.528 0.030 . 1 . . . . . 26 GLY H . 27606 1 294 . 1 1 26 26 GLY HA2 H 1 4.924 0.030 . 2 . . . . . 26 GLY HA2 . 27606 1 295 . 1 1 26 26 GLY HA3 H 1 3.669 0.030 . 2 . . . . . 26 GLY HA3 . 27606 1 296 . 1 1 26 26 GLY C C 13 172.089 0.300 . 1 . . . . . 26 GLY C . 27606 1 297 . 1 1 26 26 GLY CA C 13 43.862 0.300 . 1 . . . . . 26 GLY CA . 27606 1 298 . 1 1 26 26 GLY N N 15 108.770 0.300 . 1 . . . . . 26 GLY N . 27606 1 299 . 1 1 27 27 CYS H H 1 9.518 0.030 . 1 . . . . . 27 CYS H . 27606 1 300 . 1 1 27 27 CYS HA H 1 4.016 0.030 . 1 . . . . . 27 CYS HA . 27606 1 301 . 1 1 27 27 CYS HB2 H 1 3.269 0.030 . 1 . . . . . 27 CYS HB2 . 27606 1 302 . 1 1 27 27 CYS HB3 H 1 3.269 0.030 . 1 . . . . . 27 CYS HB3 . 27606 1 303 . 1 1 27 27 CYS C C 13 178.501 0.300 . 1 . . . . . 27 CYS C . 27606 1 304 . 1 1 27 27 CYS CA C 13 59.176 0.300 . 1 . . . . . 27 CYS CA . 27606 1 305 . 1 1 27 27 CYS CB C 13 30.486 0.300 . 1 . . . . . 27 CYS CB . 27606 1 306 . 1 1 27 27 CYS N N 15 124.318 0.300 . 1 . . . . . 27 CYS N . 27606 1 307 . 1 1 28 28 GLU H H 1 9.090 0.030 . 1 . . . . . 28 GLU H . 27606 1 308 . 1 1 28 28 GLU HA H 1 3.870 0.030 . 1 . . . . . 28 GLU HA . 27606 1 309 . 1 1 28 28 GLU HB2 H 1 2.009 0.030 . 2 . . . . . 28 GLU HB2 . 27606 1 310 . 1 1 28 28 GLU HB3 H 1 1.812 0.030 . 2 . . . . . 28 GLU HB3 . 27606 1 311 . 1 1 28 28 GLU HG2 H 1 2.106 0.030 . 1 . . . . . 28 GLU HG2 . 27606 1 312 . 1 1 28 28 GLU HG3 H 1 2.106 0.030 . 1 . . . . . 28 GLU HG3 . 27606 1 313 . 1 1 28 28 GLU C C 13 176.009 0.300 . 1 . . . . . 28 GLU C . 27606 1 314 . 1 1 28 28 GLU CA C 13 59.174 0.300 . 1 . . . . . 28 GLU CA . 27606 1 315 . 1 1 28 28 GLU CB C 13 31.467 0.300 . 1 . . . . . 28 GLU CB . 27606 1 316 . 1 1 28 28 GLU CG C 13 36.444 0.300 . 1 . . . . . 28 GLU CG . 27606 1 317 . 1 1 28 28 GLU N N 15 131.586 0.300 . 1 . . . . . 28 GLU N . 27606 1 318 . 1 1 29 29 MET H H 1 8.907 0.030 . 1 . . . . . 29 MET H . 27606 1 319 . 1 1 29 29 MET HA H 1 4.472 0.030 . 1 . . . . . 29 MET HA . 27606 1 320 . 1 1 29 29 MET HB2 H 1 1.851 0.030 . 2 . . . . . 29 MET HB2 . 27606 1 321 . 1 1 29 29 MET HB3 H 1 1.942 0.030 . 2 . . . . . 29 MET HB3 . 27606 1 322 . 1 1 29 29 MET HG2 H 1 1.202 0.030 . 2 . . . . . 29 MET HG2 . 27606 1 323 . 1 1 29 29 MET HG3 H 1 2.014 0.030 . 2 . . . . . 29 MET HG3 . 27606 1 324 . 1 1 29 29 MET HE1 H 1 1.699 0.030 . 1 . . . . . 29 MET HE . 27606 1 325 . 1 1 29 29 MET HE2 H 1 1.699 0.030 . 1 . . . . . 29 MET HE . 27606 1 326 . 1 1 29 29 MET HE3 H 1 1.699 0.030 . 1 . . . . . 29 MET HE . 27606 1 327 . 1 1 29 29 MET C C 13 177.955 0.300 . 1 . . . . . 29 MET C . 27606 1 328 . 1 1 29 29 MET CA C 13 55.272 0.300 . 1 . . . . . 29 MET CA . 27606 1 329 . 1 1 29 29 MET CB C 13 32.999 0.300 . 1 . . . . . 29 MET CB . 27606 1 330 . 1 1 29 29 MET CG C 13 31.680 0.300 . 1 . . . . . 29 MET CG . 27606 1 331 . 1 1 29 29 MET CE C 13 17.069 0.300 . 1 . . . . . 29 MET CE . 27606 1 332 . 1 1 29 29 MET N N 15 117.319 0.300 . 1 . . . . . 29 MET N . 27606 1 333 . 1 1 30 30 CYS H H 1 8.345 0.030 . 1 . . . . . 30 CYS H . 27606 1 334 . 1 1 30 30 CYS HA H 1 5.052 0.030 . 1 . . . . . 30 CYS HA . 27606 1 335 . 1 1 30 30 CYS HB2 H 1 3.201 0.030 . 2 . . . . . 30 CYS HB2 . 27606 1 336 . 1 1 30 30 CYS HB3 H 1 2.519 0.030 . 2 . . . . . 30 CYS HB3 . 27606 1 337 . 1 1 30 30 CYS C C 13 176.836 0.300 . 1 . . . . . 30 CYS C . 27606 1 338 . 1 1 30 30 CYS CA C 13 59.077 0.300 . 1 . . . . . 30 CYS CA . 27606 1 339 . 1 1 30 30 CYS CB C 13 32.420 0.300 . 1 . . . . . 30 CYS CB . 27606 1 340 . 1 1 30 30 CYS N N 15 119.234 0.300 . 1 . . . . . 30 CYS N . 27606 1 341 . 1 1 31 31 CYS H H 1 8.039 0.030 . 1 . . . . . 31 CYS H . 27606 1 342 . 1 1 31 31 CYS HA H 1 4.419 0.030 . 1 . . . . . 31 CYS HA . 27606 1 343 . 1 1 31 31 CYS HB2 H 1 3.578 0.030 . 2 . . . . . 31 CYS HB2 . 27606 1 344 . 1 1 31 31 CYS HB3 H 1 3.354 0.030 . 2 . . . . . 31 CYS HB3 . 27606 1 345 . 1 1 31 31 CYS C C 13 174.063 0.300 . 1 . . . . . 31 CYS C . 27606 1 346 . 1 1 31 31 CYS CA C 13 59.571 0.300 . 1 . . . . . 31 CYS CA . 27606 1 347 . 1 1 31 31 CYS CB C 13 38.384 0.300 . 1 . . . . . 31 CYS CB . 27606 1 348 . 1 1 31 31 CYS N N 15 116.101 0.300 . 1 . . . . . 31 CYS N . 27606 1 349 . 1 1 32 32 ARG H H 1 8.569 0.030 . 1 . . . . . 32 ARG H . 27606 1 350 . 1 1 32 32 ARG HA H 1 4.183 0.030 . 1 . . . . . 32 ARG HA . 27606 1 351 . 1 1 32 32 ARG HB2 H 1 2.035 0.030 . 1 . . . . . 32 ARG HB2 . 27606 1 352 . 1 1 32 32 ARG HB3 H 1 2.035 0.030 . 1 . . . . . 32 ARG HB3 . 27606 1 353 . 1 1 32 32 ARG HG2 H 1 1.859 0.030 . 1 . . . . . 32 ARG HG2 . 27606 1 354 . 1 1 32 32 ARG HG3 H 1 1.859 0.030 . 1 . . . . . 32 ARG HG3 . 27606 1 355 . 1 1 32 32 ARG HD2 H 1 3.249 0.030 . 1 . . . . . 32 ARG HD2 . 27606 1 356 . 1 1 32 32 ARG HD3 H 1 3.249 0.030 . 1 . . . . . 32 ARG HD3 . 27606 1 357 . 1 1 32 32 ARG C C 13 175.742 0.300 . 1 . . . . . 32 ARG C . 27606 1 358 . 1 1 32 32 ARG CA C 13 57.556 0.300 . 1 . . . . . 32 ARG CA . 27606 1 359 . 1 1 32 32 ARG CB C 13 31.347 0.300 . 1 . . . . . 32 ARG CB . 27606 1 360 . 1 1 32 32 ARG CG C 13 28.396 0.300 . 1 . . . . . 32 ARG CG . 27606 1 361 . 1 1 32 32 ARG CD C 13 43.387 0.300 . 1 . . . . . 32 ARG CD . 27606 1 362 . 1 1 32 32 ARG N N 15 124.967 0.300 . 1 . . . . . 32 ARG N . 27606 1 363 . 1 1 33 33 ALA H H 1 8.507 0.030 . 1 . . . . . 33 ALA H . 27606 1 364 . 1 1 33 33 ALA HA H 1 4.363 0.030 . 1 . . . . . 33 ALA HA . 27606 1 365 . 1 1 33 33 ALA HB1 H 1 1.369 0.030 . 1 . . . . . 33 ALA HB . 27606 1 366 . 1 1 33 33 ALA HB2 H 1 1.369 0.030 . 1 . . . . . 33 ALA HB . 27606 1 367 . 1 1 33 33 ALA HB3 H 1 1.369 0.030 . 1 . . . . . 33 ALA HB . 27606 1 368 . 1 1 33 33 ALA C C 13 176.612 0.300 . 1 . . . . . 33 ALA C . 27606 1 369 . 1 1 33 33 ALA CA C 13 52.878 0.300 . 1 . . . . . 33 ALA CA . 27606 1 370 . 1 1 33 33 ALA CB C 13 19.520 0.300 . 1 . . . . . 33 ALA CB . 27606 1 371 . 1 1 33 33 ALA N N 15 125.910 0.300 . 1 . . . . . 33 ALA N . 27606 1 372 . 1 1 34 34 ARG H H 1 7.474 0.030 . 1 . . . . . 34 ARG H . 27606 1 373 . 1 1 34 34 ARG HA H 1 2.032 0.030 . 1 . . . . . 34 ARG HA . 27606 1 374 . 1 1 34 34 ARG HB2 H 1 1.252 0.030 . 2 . . . . . 34 ARG HB2 . 27606 1 375 . 1 1 34 34 ARG HB3 H 1 0.732 0.030 . 2 . . . . . 34 ARG HB3 . 27606 1 376 . 1 1 34 34 ARG HD2 H 1 2.772 0.030 . 1 . . . . . 34 ARG HD2 . 27606 1 377 . 1 1 34 34 ARG HD3 H 1 2.772 0.030 . 1 . . . . . 34 ARG HD3 . 27606 1 378 . 1 1 34 34 ARG HE H 1 7.139 0.030 . 1 . . . . . 34 ARG HE . 27606 1 379 . 1 1 34 34 ARG C C 13 174.493 0.300 . 1 . . . . . 34 ARG C . 27606 1 380 . 1 1 34 34 ARG CA C 13 53.587 0.300 . 1 . . . . . 34 ARG CA . 27606 1 381 . 1 1 34 34 ARG CB C 13 31.539 0.300 . 1 . . . . . 34 ARG CB . 27606 1 382 . 1 1 34 34 ARG CD C 13 43.627 0.300 . 1 . . . . . 34 ARG CD . 27606 1 383 . 1 1 34 34 ARG N N 15 123.437 0.300 . 1 . . . . . 34 ARG N . 27606 1 384 . 1 1 34 34 ARG NE N 15 84.978 0.300 . 1 . . . . . 34 ARG NE . 27606 1 385 . 1 1 35 35 PRO HA H 1 4.228 0.030 . 1 . . . . . 35 PRO HA . 27606 1 386 . 1 1 35 35 PRO HB2 H 1 2.365 0.030 . 2 . . . . . 35 PRO HB2 . 27606 1 387 . 1 1 35 35 PRO HB3 H 1 1.815 0.030 . 2 . . . . . 35 PRO HB3 . 27606 1 388 . 1 1 35 35 PRO HG2 H 1 2.162 0.030 . 2 . . . . . 35 PRO HG2 . 27606 1 389 . 1 1 35 35 PRO HG3 H 1 1.891 0.030 . 2 . . . . . 35 PRO HG3 . 27606 1 390 . 1 1 35 35 PRO HD2 H 1 3.486 0.030 . 2 . . . . . 35 PRO HD2 . 27606 1 391 . 1 1 35 35 PRO HD3 H 1 2.600 0.030 . 2 . . . . . 35 PRO HD3 . 27606 1 392 . 1 1 35 35 PRO C C 13 178.262 0.300 . 1 . . . . . 35 PRO C . 27606 1 393 . 1 1 35 35 PRO CA C 13 63.302 0.300 . 1 . . . . . 35 PRO CA . 27606 1 394 . 1 1 35 35 PRO CB C 13 32.641 0.300 . 1 . . . . . 35 PRO CB . 27606 1 395 . 1 1 35 35 PRO CG C 13 27.724 0.300 . 1 . . . . . 35 PRO CG . 27606 1 396 . 1 1 35 35 PRO CD C 13 51.799 0.300 . 1 . . . . . 35 PRO CD . 27606 1 397 . 1 1 36 36 GLU H H 1 9.150 0.030 . 1 . . . . . 36 GLU H . 27606 1 398 . 1 1 36 36 GLU HA H 1 4.066 0.030 . 1 . . . . . 36 GLU HA . 27606 1 399 . 1 1 36 36 GLU HB2 H 1 2.089 0.030 . 1 . . . . . 36 GLU HB2 . 27606 1 400 . 1 1 36 36 GLU HB3 H 1 2.089 0.030 . 1 . . . . . 36 GLU HB3 . 27606 1 401 . 1 1 36 36 GLU HG2 H 1 2.320 0.030 . 1 . . . . . 36 GLU HG2 . 27606 1 402 . 1 1 36 36 GLU HG3 H 1 2.320 0.030 . 1 . . . . . 36 GLU HG3 . 27606 1 403 . 1 1 36 36 GLU C C 13 176.649 0.300 . 1 . . . . . 36 GLU C . 27606 1 404 . 1 1 36 36 GLU CA C 13 58.716 0.300 . 1 . . . . . 36 GLU CA . 27606 1 405 . 1 1 36 36 GLU CB C 13 29.598 0.300 . 1 . . . . . 36 GLU CB . 27606 1 406 . 1 1 36 36 GLU CG C 13 36.134 0.300 . 1 . . . . . 36 GLU CG . 27606 1 407 . 1 1 36 36 GLU N N 15 124.872 0.300 . 1 . . . . . 36 GLU N . 27606 1 408 . 1 1 37 37 THR H H 1 7.309 0.030 . 1 . . . . . 37 THR H . 27606 1 409 . 1 1 37 37 THR HA H 1 4.112 0.030 . 1 . . . . . 37 THR HA . 27606 1 410 . 1 1 37 37 THR HB H 1 4.405 0.030 . 1 . . . . . 37 THR HB . 27606 1 411 . 1 1 37 37 THR HG21 H 1 1.218 0.030 . 1 . . . . . 37 THR HG2 . 27606 1 412 . 1 1 37 37 THR HG22 H 1 1.218 0.030 . 1 . . . . . 37 THR HG2 . 27606 1 413 . 1 1 37 37 THR HG23 H 1 1.218 0.030 . 1 . . . . . 37 THR HG2 . 27606 1 414 . 1 1 37 37 THR C C 13 174.821 0.300 . 1 . . . . . 37 THR C . 27606 1 415 . 1 1 37 37 THR CA C 13 61.367 0.300 . 1 . . . . . 37 THR CA . 27606 1 416 . 1 1 37 37 THR CB C 13 69.083 0.300 . 1 . . . . . 37 THR CB . 27606 1 417 . 1 1 37 37 THR CG2 C 13 22.142 0.300 . 1 . . . . . 37 THR CG2 . 27606 1 418 . 1 1 37 37 THR N N 15 105.367 0.300 . 1 . . . . . 37 THR N . 27606 1 419 . 1 1 38 38 TYR H H 1 7.317 0.030 . 1 . . . . . 38 TYR H . 27606 1 420 . 1 1 38 38 TYR HA H 1 4.347 0.030 . 1 . . . . . 38 TYR HA . 27606 1 421 . 1 1 38 38 TYR HB2 H 1 2.885 0.030 . 2 . . . . . 38 TYR HB2 . 27606 1 422 . 1 1 38 38 TYR HB3 H 1 2.617 0.030 . 2 . . . . . 38 TYR HB3 . 27606 1 423 . 1 1 38 38 TYR HD1 H 1 6.874 0.030 . 1 . . . . . 38 TYR HD1 . 27606 1 424 . 1 1 38 38 TYR HD2 H 1 6.874 0.030 . 1 . . . . . 38 TYR HD2 . 27606 1 425 . 1 1 38 38 TYR HE1 H 1 6.779 0.030 . 1 . . . . . 38 TYR HE1 . 27606 1 426 . 1 1 38 38 TYR HE2 H 1 6.779 0.030 . 1 . . . . . 38 TYR HE2 . 27606 1 427 . 1 1 38 38 TYR C C 13 174.351 0.300 . 1 . . . . . 38 TYR C . 27606 1 428 . 1 1 38 38 TYR CA C 13 58.919 0.300 . 1 . . . . . 38 TYR CA . 27606 1 429 . 1 1 38 38 TYR CB C 13 38.208 0.300 . 1 . . . . . 38 TYR CB . 27606 1 430 . 1 1 38 38 TYR CD1 C 13 132.948 0.300 . 1 . . . . . 38 TYR CD1 . 27606 1 431 . 1 1 38 38 TYR CD2 C 13 132.948 0.300 . 1 . . . . . 38 TYR CD2 . 27606 1 432 . 1 1 38 38 TYR CE1 C 13 118.134 0.300 . 1 . . . . . 38 TYR CE1 . 27606 1 433 . 1 1 38 38 TYR CE2 C 13 118.134 0.300 . 1 . . . . . 38 TYR CE2 . 27606 1 434 . 1 1 38 38 TYR N N 15 122.950 0.300 . 1 . . . . . 38 TYR N . 27606 1 435 . 1 1 39 39 GLN H H 1 7.720 0.030 . 1 . . . . . 39 GLN H . 27606 1 436 . 1 1 39 39 GLN HA H 1 4.215 0.030 . 1 . . . . . 39 GLN HA . 27606 1 437 . 1 1 39 39 GLN HB2 H 1 1.756 0.030 . 2 . . . . . 39 GLN HB2 . 27606 1 438 . 1 1 39 39 GLN HB3 H 1 1.650 0.030 . 2 . . . . . 39 GLN HB3 . 27606 1 439 . 1 1 39 39 GLN HG2 H 1 2.156 0.030 . 1 . . . . . 39 GLN HG2 . 27606 1 440 . 1 1 39 39 GLN HG3 H 1 2.156 0.030 . 1 . . . . . 39 GLN HG3 . 27606 1 441 . 1 1 39 39 GLN HE21 H 1 7.384 0.030 . 2 . . . . . 39 GLN HE21 . 27606 1 442 . 1 1 39 39 GLN HE22 H 1 6.776 0.030 . 2 . . . . . 39 GLN HE22 . 27606 1 443 . 1 1 39 39 GLN C C 13 173.929 0.300 . 1 . . . . . 39 GLN C . 27606 1 444 . 1 1 39 39 GLN CA C 13 53.602 0.300 . 1 . . . . . 39 GLN CA . 27606 1 445 . 1 1 39 39 GLN CB C 13 29.849 0.300 . 1 . . . . . 39 GLN CB . 27606 1 446 . 1 1 39 39 GLN CG C 13 33.543 0.300 . 1 . . . . . 39 GLN CG . 27606 1 447 . 1 1 39 39 GLN N N 15 127.884 0.300 . 1 . . . . . 39 GLN N . 27606 1 448 . 1 1 39 39 GLN NE2 N 15 112.835 0.300 . 1 . . . . . 39 GLN NE2 . 27606 1 449 . 1 1 40 40 ILE H H 1 8.259 0.030 . 1 . . . . . 40 ILE H . 27606 1 450 . 1 1 40 40 ILE HA H 1 3.898 0.030 . 1 . . . . . 40 ILE HA . 27606 1 451 . 1 1 40 40 ILE HB H 1 1.685 0.030 . 1 . . . . . 40 ILE HB . 27606 1 452 . 1 1 40 40 ILE HG12 H 1 1.063 0.030 . 2 . . . . . 40 ILE HG12 . 27606 1 453 . 1 1 40 40 ILE HG13 H 1 1.592 0.030 . 2 . . . . . 40 ILE HG13 . 27606 1 454 . 1 1 40 40 ILE HG21 H 1 0.925 0.030 . 1 . . . . . 40 ILE HG2 . 27606 1 455 . 1 1 40 40 ILE HG22 H 1 0.925 0.030 . 1 . . . . . 40 ILE HG2 . 27606 1 456 . 1 1 40 40 ILE HG23 H 1 0.925 0.030 . 1 . . . . . 40 ILE HG2 . 27606 1 457 . 1 1 40 40 ILE HD11 H 1 0.848 0.030 . 1 . . . . . 40 ILE HD1 . 27606 1 458 . 1 1 40 40 ILE HD12 H 1 0.848 0.030 . 1 . . . . . 40 ILE HD1 . 27606 1 459 . 1 1 40 40 ILE HD13 H 1 0.848 0.030 . 1 . . . . . 40 ILE HD1 . 27606 1 460 . 1 1 40 40 ILE C C 13 174.930 0.300 . 1 . . . . . 40 ILE C . 27606 1 461 . 1 1 40 40 ILE CA C 13 59.710 0.300 . 1 . . . . . 40 ILE CA . 27606 1 462 . 1 1 40 40 ILE CB C 13 38.715 0.300 . 1 . . . . . 40 ILE CB . 27606 1 463 . 1 1 40 40 ILE CG1 C 13 28.338 0.300 . 1 . . . . . 40 ILE CG1 . 27606 1 464 . 1 1 40 40 ILE CG2 C 13 17.044 0.300 . 1 . . . . . 40 ILE CG2 . 27606 1 465 . 1 1 40 40 ILE CD1 C 13 13.544 0.300 . 1 . . . . . 40 ILE CD1 . 27606 1 466 . 1 1 40 40 ILE N N 15 126.078 0.300 . 1 . . . . . 40 ILE N . 27606 1 467 . 1 1 41 41 PRO HA H 1 4.352 0.030 . 1 . . . . . 41 PRO HA . 27606 1 468 . 1 1 41 41 PRO HB2 H 1 2.400 0.030 . 2 . . . . . 41 PRO HB2 . 27606 1 469 . 1 1 41 41 PRO HB3 H 1 1.946 0.030 . 2 . . . . . 41 PRO HB3 . 27606 1 470 . 1 1 41 41 PRO HG2 H 1 2.034 0.030 . 1 . . . . . 41 PRO HG2 . 27606 1 471 . 1 1 41 41 PRO HG3 H 1 2.034 0.030 . 1 . . . . . 41 PRO HG3 . 27606 1 472 . 1 1 41 41 PRO HD2 H 1 4.136 0.030 . 2 . . . . . 41 PRO HD2 . 27606 1 473 . 1 1 41 41 PRO HD3 H 1 3.339 0.030 . 2 . . . . . 41 PRO HD3 . 27606 1 474 . 1 1 41 41 PRO C C 13 177.538 0.300 . 1 . . . . . 41 PRO C . 27606 1 475 . 1 1 41 41 PRO CA C 13 63.140 0.300 . 1 . . . . . 41 PRO CA . 27606 1 476 . 1 1 41 41 PRO CB C 13 32.250 0.300 . 1 . . . . . 41 PRO CB . 27606 1 477 . 1 1 41 41 PRO CG C 13 27.954 0.300 . 1 . . . . . 41 PRO CG . 27606 1 478 . 1 1 41 41 PRO CD C 13 51.286 0.300 . 1 . . . . . 41 PRO CD . 27606 1 479 . 1 1 42 42 ALA H H 1 8.669 0.030 . 1 . . . . . 42 ALA H . 27606 1 480 . 1 1 42 42 ALA HA H 1 4.174 0.030 . 1 . . . . . 42 ALA HA . 27606 1 481 . 1 1 42 42 ALA HB1 H 1 1.414 0.030 . 1 . . . . . 42 ALA HB . 27606 1 482 . 1 1 42 42 ALA HB2 H 1 1.414 0.030 . 1 . . . . . 42 ALA HB . 27606 1 483 . 1 1 42 42 ALA HB3 H 1 1.414 0.030 . 1 . . . . . 42 ALA HB . 27606 1 484 . 1 1 42 42 ALA C C 13 178.411 0.300 . 1 . . . . . 42 ALA C . 27606 1 485 . 1 1 42 42 ALA CA C 13 54.112 0.300 . 1 . . . . . 42 ALA CA . 27606 1 486 . 1 1 42 42 ALA CB C 13 18.625 0.300 . 1 . . . . . 42 ALA CB . 27606 1 487 . 1 1 42 42 ALA N N 15 126.465 0.300 . 1 . . . . . 42 ALA N . 27606 1 488 . 1 1 43 43 SER H H 1 8.074 0.030 . 1 . . . . . 43 SER H . 27606 1 489 . 1 1 43 43 SER HA H 1 4.323 0.030 . 1 . . . . . 43 SER HA . 27606 1 490 . 1 1 43 43 SER HB2 H 1 3.986 0.030 . 1 . . . . . 43 SER HB2 . 27606 1 491 . 1 1 43 43 SER HB3 H 1 3.986 0.030 . 1 . . . . . 43 SER HB3 . 27606 1 492 . 1 1 43 43 SER C C 13 174.518 0.300 . 1 . . . . . 43 SER C . 27606 1 493 . 1 1 43 43 SER CA C 13 58.178 0.300 . 1 . . . . . 43 SER CA . 27606 1 494 . 1 1 43 43 SER CB C 13 63.425 0.300 . 1 . . . . . 43 SER CB . 27606 1 495 . 1 1 43 43 SER N N 15 110.127 0.300 . 1 . . . . . 43 SER N . 27606 1 496 . 1 1 44 44 TYR H H 1 7.787 0.030 . 1 . . . . . 44 TYR H . 27606 1 497 . 1 1 44 44 TYR HA H 1 4.407 0.030 . 1 . . . . . 44 TYR HA . 27606 1 498 . 1 1 44 44 TYR HB2 H 1 2.905 0.030 . 1 . . . . . 44 TYR HB2 . 27606 1 499 . 1 1 44 44 TYR HB3 H 1 2.905 0.030 . 1 . . . . . 44 TYR HB3 . 27606 1 500 . 1 1 44 44 TYR HD1 H 1 7.064 0.030 . 1 . . . . . 44 TYR HD1 . 27606 1 501 . 1 1 44 44 TYR HD2 H 1 7.064 0.030 . 1 . . . . . 44 TYR HD2 . 27606 1 502 . 1 1 44 44 TYR HE1 H 1 6.895 0.030 . 1 . . . . . 44 TYR HE1 . 27606 1 503 . 1 1 44 44 TYR HE2 H 1 6.895 0.030 . 1 . . . . . 44 TYR HE2 . 27606 1 504 . 1 1 44 44 TYR C C 13 174.721 0.300 . 1 . . . . . 44 TYR C . 27606 1 505 . 1 1 44 44 TYR CA C 13 58.996 0.300 . 1 . . . . . 44 TYR CA . 27606 1 506 . 1 1 44 44 TYR CB C 13 38.947 0.300 . 1 . . . . . 44 TYR CB . 27606 1 507 . 1 1 44 44 TYR CD1 C 13 133.066 0.300 . 1 . . . . . 44 TYR CD1 . 27606 1 508 . 1 1 44 44 TYR CD2 C 13 133.066 0.300 . 1 . . . . . 44 TYR CD2 . 27606 1 509 . 1 1 44 44 TYR CE1 C 13 118.364 0.300 . 1 . . . . . 44 TYR CE1 . 27606 1 510 . 1 1 44 44 TYR CE2 C 13 118.364 0.300 . 1 . . . . . 44 TYR CE2 . 27606 1 511 . 1 1 44 44 TYR N N 15 122.605 0.300 . 1 . . . . . 44 TYR N . 27606 1 512 . 1 1 45 45 GLN H H 1 7.940 0.030 . 1 . . . . . 45 GLN H . 27606 1 513 . 1 1 45 45 GLN HA H 1 4.568 0.030 . 1 . . . . . 45 GLN HA . 27606 1 514 . 1 1 45 45 GLN HB2 H 1 1.812 0.030 . 1 . . . . . 45 GLN HB2 . 27606 1 515 . 1 1 45 45 GLN HB3 H 1 1.812 0.030 . 1 . . . . . 45 GLN HB3 . 27606 1 516 . 1 1 45 45 GLN HG2 H 1 2.280 0.030 . 1 . . . . . 45 GLN HG2 . 27606 1 517 . 1 1 45 45 GLN HG3 H 1 2.280 0.030 . 1 . . . . . 45 GLN HG3 . 27606 1 518 . 1 1 45 45 GLN HE21 H 1 7.474 0.030 . 2 . . . . . 45 GLN HE21 . 27606 1 519 . 1 1 45 45 GLN HE22 H 1 6.812 0.030 . 2 . . . . . 45 GLN HE22 . 27606 1 520 . 1 1 45 45 GLN C C 13 172.629 0.300 . 1 . . . . . 45 GLN C . 27606 1 521 . 1 1 45 45 GLN CA C 13 52.533 0.300 . 1 . . . . . 45 GLN CA . 27606 1 522 . 1 1 45 45 GLN CB C 13 29.517 0.300 . 1 . . . . . 45 GLN CB . 27606 1 523 . 1 1 45 45 GLN CG C 13 33.334 0.300 . 1 . . . . . 45 GLN CG . 27606 1 524 . 1 1 45 45 GLN N N 15 126.983 0.300 . 1 . . . . . 45 GLN N . 27606 1 525 . 1 1 45 45 GLN NE2 N 15 112.185 0.300 . 1 . . . . . 45 GLN NE2 . 27606 1 526 . 1 1 46 46 PRO HA H 1 4.298 0.030 . 1 . . . . . 46 PRO HA . 27606 1 527 . 1 1 46 46 PRO HB2 H 1 2.243 0.030 . 2 . . . . . 46 PRO HB2 . 27606 1 528 . 1 1 46 46 PRO HB3 H 1 1.895 0.030 . 2 . . . . . 46 PRO HB3 . 27606 1 529 . 1 1 46 46 PRO HG2 H 1 1.972 0.030 . 1 . . . . . 46 PRO HG2 . 27606 1 530 . 1 1 46 46 PRO HG3 H 1 1.972 0.030 . 1 . . . . . 46 PRO HG3 . 27606 1 531 . 1 1 46 46 PRO HD2 H 1 3.614 0.030 . 2 . . . . . 46 PRO HD2 . 27606 1 532 . 1 1 46 46 PRO HD3 H 1 3.497 0.030 . 2 . . . . . 46 PRO HD3 . 27606 1 533 . 1 1 46 46 PRO C C 13 176.533 0.300 . 1 . . . . . 46 PRO C . 27606 1 534 . 1 1 46 46 PRO CA C 13 63.021 0.300 . 1 . . . . . 46 PRO CA . 27606 1 535 . 1 1 46 46 PRO CB C 13 32.097 0.300 . 1 . . . . . 46 PRO CB . 27606 1 536 . 1 1 46 46 PRO CG C 13 27.209 0.300 . 1 . . . . . 46 PRO CG . 27606 1 537 . 1 1 46 46 PRO CD C 13 50.721 0.300 . 1 . . . . . 46 PRO CD . 27606 1 538 . 1 1 47 47 ASP H H 1 8.201 0.030 . 1 . . . . . 47 ASP H . 27606 1 539 . 1 1 47 47 ASP HA H 1 4.573 0.030 . 1 . . . . . 47 ASP HA . 27606 1 540 . 1 1 47 47 ASP HB2 H 1 3.000 0.030 . 2 . . . . . 47 ASP HB2 . 27606 1 541 . 1 1 47 47 ASP HB3 H 1 2.794 0.030 . 2 . . . . . 47 ASP HB3 . 27606 1 542 . 1 1 47 47 ASP C C 13 176.114 0.300 . 1 . . . . . 47 ASP C . 27606 1 543 . 1 1 47 47 ASP CA C 13 53.825 0.300 . 1 . . . . . 47 ASP CA . 27606 1 544 . 1 1 47 47 ASP CB C 13 41.022 0.300 . 1 . . . . . 47 ASP CB . 27606 1 545 . 1 1 47 47 ASP N N 15 120.854 0.300 . 1 . . . . . 47 ASP N . 27606 1 546 . 1 1 48 48 GLU H H 1 8.529 0.030 . 1 . . . . . 48 GLU H . 27606 1 547 . 1 1 48 48 GLU HA H 1 4.014 0.030 . 1 . . . . . 48 GLU HA . 27606 1 548 . 1 1 48 48 GLU HB2 H 1 2.056 0.030 . 1 . . . . . 48 GLU HB2 . 27606 1 549 . 1 1 48 48 GLU HB3 H 1 2.056 0.030 . 1 . . . . . 48 GLU HB3 . 27606 1 550 . 1 1 48 48 GLU HG2 H 1 2.268 0.030 . 1 . . . . . 48 GLU HG2 . 27606 1 551 . 1 1 48 48 GLU HG3 H 1 2.268 0.030 . 1 . . . . . 48 GLU HG3 . 27606 1 552 . 1 1 48 48 GLU C C 13 178.466 0.300 . 1 . . . . . 48 GLU C . 27606 1 553 . 1 1 48 48 GLU CA C 13 59.250 0.300 . 1 . . . . . 48 GLU CA . 27606 1 554 . 1 1 48 48 GLU CB C 13 29.866 0.300 . 1 . . . . . 48 GLU CB . 27606 1 555 . 1 1 48 48 GLU CG C 13 36.483 0.300 . 1 . . . . . 48 GLU CG . 27606 1 556 . 1 1 48 48 GLU N N 15 119.528 0.300 . 1 . . . . . 48 GLU N . 27606 1 557 . 1 1 49 49 GLU H H 1 8.321 0.030 . 1 . . . . . 49 GLU H . 27606 1 558 . 1 1 49 49 GLU HA H 1 4.127 0.030 . 1 . . . . . 49 GLU HA . 27606 1 559 . 1 1 49 49 GLU HB2 H 1 2.089 0.030 . 1 . . . . . 49 GLU HB2 . 27606 1 560 . 1 1 49 49 GLU HB3 H 1 2.089 0.030 . 1 . . . . . 49 GLU HB3 . 27606 1 561 . 1 1 49 49 GLU HG2 H 1 2.320 0.030 . 1 . . . . . 49 GLU HG2 . 27606 1 562 . 1 1 49 49 GLU HG3 H 1 2.320 0.030 . 1 . . . . . 49 GLU HG3 . 27606 1 563 . 1 1 49 49 GLU C C 13 178.649 0.300 . 1 . . . . . 49 GLU C . 27606 1 564 . 1 1 49 49 GLU CA C 13 58.948 0.300 . 1 . . . . . 49 GLU CA . 27606 1 565 . 1 1 49 49 GLU CB C 13 29.667 0.300 . 1 . . . . . 49 GLU CB . 27606 1 566 . 1 1 49 49 GLU CG C 13 36.202 0.300 . 1 . . . . . 49 GLU CG . 27606 1 567 . 1 1 49 49 GLU N N 15 120.917 0.300 . 1 . . . . . 49 GLU N . 27606 1 568 . 1 1 50 50 GLU H H 1 8.367 0.030 . 1 . . . . . 50 GLU H . 27606 1 569 . 1 1 50 50 GLU HA H 1 4.261 0.030 . 1 . . . . . 50 GLU HA . 27606 1 570 . 1 1 50 50 GLU HB2 H 1 2.089 0.030 . 1 . . . . . 50 GLU HB2 . 27606 1 571 . 1 1 50 50 GLU HB3 H 1 2.089 0.030 . 1 . . . . . 50 GLU HB3 . 27606 1 572 . 1 1 50 50 GLU HG2 H 1 2.364 0.030 . 1 . . . . . 50 GLU HG2 . 27606 1 573 . 1 1 50 50 GLU HG3 H 1 2.364 0.030 . 1 . . . . . 50 GLU HG3 . 27606 1 574 . 1 1 50 50 GLU C C 13 178.408 0.300 . 1 . . . . . 50 GLU C . 27606 1 575 . 1 1 50 50 GLU CA C 13 58.364 0.300 . 1 . . . . . 50 GLU CA . 27606 1 576 . 1 1 50 50 GLU CB C 13 29.728 0.300 . 1 . . . . . 50 GLU CB . 27606 1 577 . 1 1 50 50 GLU CG C 13 36.451 0.300 . 1 . . . . . 50 GLU CG . 27606 1 578 . 1 1 50 50 GLU N N 15 122.230 0.300 . 1 . . . . . 50 GLU N . 27606 1 579 . 1 1 51 51 ARG H H 1 8.600 0.030 . 1 . . . . . 51 ARG H . 27606 1 580 . 1 1 51 51 ARG HA H 1 4.014 0.030 . 1 . . . . . 51 ARG HA . 27606 1 581 . 1 1 51 51 ARG HB2 H 1 1.853 0.030 . 1 . . . . . 51 ARG HB2 . 27606 1 582 . 1 1 51 51 ARG HB3 H 1 1.853 0.030 . 1 . . . . . 51 ARG HB3 . 27606 1 583 . 1 1 51 51 ARG HG2 H 1 1.571 0.030 . 1 . . . . . 51 ARG HG2 . 27606 1 584 . 1 1 51 51 ARG HG3 H 1 1.571 0.030 . 1 . . . . . 51 ARG HG3 . 27606 1 585 . 1 1 51 51 ARG HD2 H 1 3.196 0.030 . 1 . . . . . 51 ARG HD2 . 27606 1 586 . 1 1 51 51 ARG HD3 H 1 3.196 0.030 . 1 . . . . . 51 ARG HD3 . 27606 1 587 . 1 1 51 51 ARG C C 13 178.639 0.300 . 1 . . . . . 51 ARG C . 27606 1 588 . 1 1 51 51 ARG CA C 13 59.217 0.300 . 1 . . . . . 51 ARG CA . 27606 1 589 . 1 1 51 51 ARG CB C 13 30.158 0.300 . 1 . . . . . 51 ARG CB . 27606 1 590 . 1 1 51 51 ARG CG C 13 27.656 0.300 . 1 . . . . . 51 ARG CG . 27606 1 591 . 1 1 51 51 ARG CD C 13 43.453 0.300 . 1 . . . . . 51 ARG CD . 27606 1 592 . 1 1 51 51 ARG N N 15 119.767 0.300 . 1 . . . . . 51 ARG N . 27606 1 593 . 1 1 52 52 ALA H H 1 8.001 0.030 . 1 . . . . . 52 ALA H . 27606 1 594 . 1 1 52 52 ALA HA H 1 4.210 0.030 . 1 . . . . . 52 ALA HA . 27606 1 595 . 1 1 52 52 ALA HB1 H 1 1.487 0.030 . 1 . . . . . 52 ALA HB . 27606 1 596 . 1 1 52 52 ALA HB2 H 1 1.487 0.030 . 1 . . . . . 52 ALA HB . 27606 1 597 . 1 1 52 52 ALA HB3 H 1 1.487 0.030 . 1 . . . . . 52 ALA HB . 27606 1 598 . 1 1 52 52 ALA C C 13 179.763 0.300 . 1 . . . . . 52 ALA C . 27606 1 599 . 1 1 52 52 ALA CA C 13 54.296 0.300 . 1 . . . . . 52 ALA CA . 27606 1 600 . 1 1 52 52 ALA CB C 13 18.303 0.300 . 1 . . . . . 52 ALA CB . 27606 1 601 . 1 1 52 52 ALA N N 15 122.234 0.300 . 1 . . . . . 52 ALA N . 27606 1 602 . 1 1 53 53 ARG H H 1 8.035 0.030 . 1 . . . . . 53 ARG H . 27606 1 603 . 1 1 53 53 ARG HA H 1 4.147 0.030 . 1 . . . . . 53 ARG HA . 27606 1 604 . 1 1 53 53 ARG HB2 H 1 1.926 0.030 . 1 . . . . . 53 ARG HB2 . 27606 1 605 . 1 1 53 53 ARG HB3 H 1 1.926 0.030 . 1 . . . . . 53 ARG HB3 . 27606 1 606 . 1 1 53 53 ARG HG2 H 1 1.733 0.030 . 1 . . . . . 53 ARG HG2 . 27606 1 607 . 1 1 53 53 ARG HG3 H 1 1.733 0.030 . 1 . . . . . 53 ARG HG3 . 27606 1 608 . 1 1 53 53 ARG HD2 H 1 3.295 0.030 . 1 . . . . . 53 ARG HD2 . 27606 1 609 . 1 1 53 53 ARG HD3 H 1 3.295 0.030 . 1 . . . . . 53 ARG HD3 . 27606 1 610 . 1 1 53 53 ARG C C 13 178.845 0.300 . 1 . . . . . 53 ARG C . 27606 1 611 . 1 1 53 53 ARG CA C 13 58.356 0.300 . 1 . . . . . 53 ARG CA . 27606 1 612 . 1 1 53 53 ARG CB C 13 30.356 0.300 . 1 . . . . . 53 ARG CB . 27606 1 613 . 1 1 53 53 ARG CG C 13 27.402 0.300 . 1 . . . . . 53 ARG CG . 27606 1 614 . 1 1 53 53 ARG CD C 13 43.068 0.300 . 1 . . . . . 53 ARG CD . 27606 1 615 . 1 1 53 53 ARG N N 15 120.699 0.300 . 1 . . . . . 53 ARG N . 27606 1 616 . 1 1 54 54 LEU H H 1 8.363 0.030 . 1 . . . . . 54 LEU H . 27606 1 617 . 1 1 54 54 LEU HA H 1 4.174 0.030 . 1 . . . . . 54 LEU HA . 27606 1 618 . 1 1 54 54 LEU HB2 H 1 1.821 0.030 . 2 . . . . . 54 LEU HB2 . 27606 1 619 . 1 1 54 54 LEU HB3 H 1 1.585 0.030 . 2 . . . . . 54 LEU HB3 . 27606 1 620 . 1 1 54 54 LEU HG H 1 1.710 0.030 . 1 . . . . . 54 LEU HG . 27606 1 621 . 1 1 54 54 LEU HD11 H 1 0.932 0.030 . 2 . . . . . 54 LEU HD1 . 27606 1 622 . 1 1 54 54 LEU HD12 H 1 0.932 0.030 . 2 . . . . . 54 LEU HD1 . 27606 1 623 . 1 1 54 54 LEU HD13 H 1 0.932 0.030 . 2 . . . . . 54 LEU HD1 . 27606 1 624 . 1 1 54 54 LEU HD21 H 1 0.926 0.030 . 2 . . . . . 54 LEU HD2 . 27606 1 625 . 1 1 54 54 LEU HD22 H 1 0.926 0.030 . 2 . . . . . 54 LEU HD2 . 27606 1 626 . 1 1 54 54 LEU HD23 H 1 0.926 0.030 . 2 . . . . . 54 LEU HD2 . 27606 1 627 . 1 1 54 54 LEU C C 13 178.731 0.300 . 1 . . . . . 54 LEU C . 27606 1 628 . 1 1 54 54 LEU CA C 13 56.745 0.300 . 1 . . . . . 54 LEU CA . 27606 1 629 . 1 1 54 54 LEU CB C 13 42.106 0.300 . 1 . . . . . 54 LEU CB . 27606 1 630 . 1 1 54 54 LEU CG C 13 26.921 0.300 . 1 . . . . . 54 LEU CG . 27606 1 631 . 1 1 54 54 LEU CD1 C 13 25.073 0.300 . 2 . . . . . 54 LEU CD1 . 27606 1 632 . 1 1 54 54 LEU CD2 C 13 23.257 0.300 . 2 . . . . . 54 LEU CD2 . 27606 1 633 . 1 1 54 54 LEU N N 15 121.174 0.300 . 1 . . . . . 54 LEU N . 27606 1 634 . 1 1 55 55 ALA H H 1 8.057 0.030 . 1 . . . . . 55 ALA H . 27606 1 635 . 1 1 55 55 ALA HA H 1 4.281 0.030 . 1 . . . . . 55 ALA HA . 27606 1 636 . 1 1 55 55 ALA HB1 H 1 1.484 0.030 . 1 . . . . . 55 ALA HB . 27606 1 637 . 1 1 55 55 ALA HB2 H 1 1.484 0.030 . 1 . . . . . 55 ALA HB . 27606 1 638 . 1 1 55 55 ALA HB3 H 1 1.484 0.030 . 1 . . . . . 55 ALA HB . 27606 1 639 . 1 1 55 55 ALA C C 13 179.558 0.300 . 1 . . . . . 55 ALA C . 27606 1 640 . 1 1 55 55 ALA CA C 13 53.923 0.300 . 1 . . . . . 55 ALA CA . 27606 1 641 . 1 1 55 55 ALA CB C 13 18.579 0.300 . 1 . . . . . 55 ALA CB . 27606 1 642 . 1 1 55 55 ALA N N 15 122.362 0.300 . 1 . . . . . 55 ALA N . 27606 1 643 . 1 1 56 56 GLY H H 1 8.130 0.030 . 1 . . . . . 56 GLY H . 27606 1 644 . 1 1 56 56 GLY HA2 H 1 3.999 0.030 . 1 . . . . . 56 GLY HA2 . 27606 1 645 . 1 1 56 56 GLY HA3 H 1 3.999 0.030 . 1 . . . . . 56 GLY HA3 . 27606 1 646 . 1 1 56 56 GLY C C 13 175.619 0.300 . 1 . . . . . 56 GLY C . 27606 1 647 . 1 1 56 56 GLY CA C 13 46.080 0.300 . 1 . . . . . 56 GLY CA . 27606 1 648 . 1 1 56 56 GLY N N 15 106.833 0.300 . 1 . . . . . 56 GLY N . 27606 1 649 . 1 1 57 57 GLU H H 1 8.085 0.030 . 1 . . . . . 57 GLU H . 27606 1 650 . 1 1 57 57 GLU HA H 1 4.144 0.030 . 1 . . . . . 57 GLU HA . 27606 1 651 . 1 1 57 57 GLU HB2 H 1 2.089 0.030 . 1 . . . . . 57 GLU HB2 . 27606 1 652 . 1 1 57 57 GLU HB3 H 1 2.089 0.030 . 1 . . . . . 57 GLU HB3 . 27606 1 653 . 1 1 57 57 GLU HG2 H 1 2.347 0.030 . 1 . . . . . 57 GLU HG2 . 27606 1 654 . 1 1 57 57 GLU HG3 H 1 2.347 0.030 . 1 . . . . . 57 GLU HG3 . 27606 1 655 . 1 1 57 57 GLU C C 13 177.954 0.300 . 1 . . . . . 57 GLU C . 27606 1 656 . 1 1 57 57 GLU CA C 13 58.291 0.300 . 1 . . . . . 57 GLU CA . 27606 1 657 . 1 1 57 57 GLU CB C 13 29.891 0.300 . 1 . . . . . 57 GLU CB . 27606 1 658 . 1 1 57 57 GLU CG C 13 36.449 0.300 . 1 . . . . . 57 GLU CG . 27606 1 659 . 1 1 57 57 GLU N N 15 121.495 0.300 . 1 . . . . . 57 GLU N . 27606 1 660 . 1 1 58 58 GLU H H 1 8.261 0.030 . 1 . . . . . 58 GLU H . 27606 1 661 . 1 1 58 58 GLU HA H 1 4.104 0.030 . 1 . . . . . 58 GLU HA . 27606 1 662 . 1 1 58 58 GLU HB2 H 1 2.056 0.030 . 1 . . . . . 58 GLU HB2 . 27606 1 663 . 1 1 58 58 GLU HB3 H 1 2.056 0.030 . 1 . . . . . 58 GLU HB3 . 27606 1 664 . 1 1 58 58 GLU HG2 H 1 2.320 0.030 . 1 . . . . . 58 GLU HG2 . 27606 1 665 . 1 1 58 58 GLU HG3 H 1 2.320 0.030 . 1 . . . . . 58 GLU HG3 . 27606 1 666 . 1 1 58 58 GLU C C 13 177.789 0.300 . 1 . . . . . 58 GLU C . 27606 1 667 . 1 1 58 58 GLU CA C 13 58.148 0.300 . 1 . . . . . 58 GLU CA . 27606 1 668 . 1 1 58 58 GLU CB C 13 29.807 0.300 . 1 . . . . . 58 GLU CB . 27606 1 669 . 1 1 58 58 GLU CG C 13 36.523 0.300 . 1 . . . . . 58 GLU CG . 27606 1 670 . 1 1 58 58 GLU N N 15 120.728 0.300 . 1 . . . . . 58 GLU N . 27606 1 671 . 1 1 59 59 GLU H H 1 8.309 0.030 . 1 . . . . . 59 GLU H . 27606 1 672 . 1 1 59 59 GLU HA H 1 4.106 0.030 . 1 . . . . . 59 GLU HA . 27606 1 673 . 1 1 59 59 GLU HB2 H 1 2.064 0.030 . 1 . . . . . 59 GLU HB2 . 27606 1 674 . 1 1 59 59 GLU HB3 H 1 2.064 0.030 . 1 . . . . . 59 GLU HB3 . 27606 1 675 . 1 1 59 59 GLU HG2 H 1 2.314 0.030 . 1 . . . . . 59 GLU HG2 . 27606 1 676 . 1 1 59 59 GLU HG3 H 1 2.314 0.030 . 1 . . . . . 59 GLU HG3 . 27606 1 677 . 1 1 59 59 GLU C C 13 177.925 0.300 . 1 . . . . . 59 GLU C . 27606 1 678 . 1 1 59 59 GLU CA C 13 58.143 0.300 . 1 . . . . . 59 GLU CA . 27606 1 679 . 1 1 59 59 GLU CB C 13 29.752 0.300 . 1 . . . . . 59 GLU CB . 27606 1 680 . 1 1 59 59 GLU CG C 13 36.300 0.300 . 1 . . . . . 59 GLU CG . 27606 1 681 . 1 1 59 59 GLU N N 15 120.705 0.300 . 1 . . . . . 59 GLU N . 27606 1 682 . 1 1 60 60 ALA H H 1 8.028 0.030 . 1 . . . . . 60 ALA H . 27606 1 683 . 1 1 60 60 ALA HA H 1 4.214 0.030 . 1 . . . . . 60 ALA HA . 27606 1 684 . 1 1 60 60 ALA HB1 H 1 1.463 0.030 . 1 . . . . . 60 ALA HB . 27606 1 685 . 1 1 60 60 ALA HB2 H 1 1.463 0.030 . 1 . . . . . 60 ALA HB . 27606 1 686 . 1 1 60 60 ALA HB3 H 1 1.463 0.030 . 1 . . . . . 60 ALA HB . 27606 1 687 . 1 1 60 60 ALA C C 13 178.962 0.300 . 1 . . . . . 60 ALA C . 27606 1 688 . 1 1 60 60 ALA CA C 13 53.746 0.300 . 1 . . . . . 60 ALA CA . 27606 1 689 . 1 1 60 60 ALA CB C 13 18.683 0.300 . 1 . . . . . 60 ALA CB . 27606 1 690 . 1 1 60 60 ALA N N 15 122.564 0.300 . 1 . . . . . 60 ALA N . 27606 1 691 . 1 1 61 61 LEU H H 1 7.857 0.030 . 1 . . . . . 61 LEU H . 27606 1 692 . 1 1 61 61 LEU HA H 1 4.279 0.030 . 1 . . . . . 61 LEU HA . 27606 1 693 . 1 1 61 61 LEU HB2 H 1 1.751 0.030 . 2 . . . . . 61 LEU HB2 . 27606 1 694 . 1 1 61 61 LEU HB3 H 1 1.628 0.030 . 2 . . . . . 61 LEU HB3 . 27606 1 695 . 1 1 61 61 LEU HG H 1 1.777 0.030 . 1 . . . . . 61 LEU HG . 27606 1 696 . 1 1 61 61 LEU HD11 H 1 0.929 0.030 . 2 . . . . . 61 LEU HD1 . 27606 1 697 . 1 1 61 61 LEU HD12 H 1 0.929 0.030 . 2 . . . . . 61 LEU HD1 . 27606 1 698 . 1 1 61 61 LEU HD13 H 1 0.929 0.030 . 2 . . . . . 61 LEU HD1 . 27606 1 699 . 1 1 61 61 LEU HD21 H 1 0.912 0.030 . 2 . . . . . 61 LEU HD2 . 27606 1 700 . 1 1 61 61 LEU HD22 H 1 0.912 0.030 . 2 . . . . . 61 LEU HD2 . 27606 1 701 . 1 1 61 61 LEU HD23 H 1 0.912 0.030 . 2 . . . . . 61 LEU HD2 . 27606 1 702 . 1 1 61 61 LEU C C 13 178.237 0.300 . 1 . . . . . 61 LEU C . 27606 1 703 . 1 1 61 61 LEU CA C 13 55.897 0.300 . 1 . . . . . 61 LEU CA . 27606 1 704 . 1 1 61 61 LEU CB C 13 42.109 0.300 . 1 . . . . . 61 LEU CB . 27606 1 705 . 1 1 61 61 LEU CG C 13 27.004 0.300 . 1 . . . . . 61 LEU CG . 27606 1 706 . 1 1 61 61 LEU CD1 C 13 24.973 0.300 . 2 . . . . . 61 LEU CD1 . 27606 1 707 . 1 1 61 61 LEU CD2 C 13 23.409 0.300 . 2 . . . . . 61 LEU CD2 . 27606 1 708 . 1 1 61 61 LEU N N 15 118.701 0.300 . 1 . . . . . 61 LEU N . 27606 1 709 . 1 1 62 62 ARG H H 1 7.886 0.030 . 1 . . . . . 62 ARG H . 27606 1 710 . 1 1 62 62 ARG HA H 1 4.208 0.030 . 1 . . . . . 62 ARG HA . 27606 1 711 . 1 1 62 62 ARG HB2 H 1 1.816 0.030 . 1 . . . . . 62 ARG HB2 . 27606 1 712 . 1 1 62 62 ARG HB3 H 1 1.816 0.030 . 1 . . . . . 62 ARG HB3 . 27606 1 713 . 1 1 62 62 ARG HG2 H 1 1.608 0.030 . 1 . . . . . 62 ARG HG2 . 27606 1 714 . 1 1 62 62 ARG HG3 H 1 1.608 0.030 . 1 . . . . . 62 ARG HG3 . 27606 1 715 . 1 1 62 62 ARG HD2 H 1 3.199 0.030 . 1 . . . . . 62 ARG HD2 . 27606 1 716 . 1 1 62 62 ARG HD3 H 1 3.199 0.030 . 1 . . . . . 62 ARG HD3 . 27606 1 717 . 1 1 62 62 ARG C C 13 176.818 0.300 . 1 . . . . . 62 ARG C . 27606 1 718 . 1 1 62 62 ARG CA C 13 57.015 0.300 . 1 . . . . . 62 ARG CA . 27606 1 719 . 1 1 62 62 ARG CB C 13 30.508 0.300 . 1 . . . . . 62 ARG CB . 27606 1 720 . 1 1 62 62 ARG CG C 13 27.370 0.300 . 1 . . . . . 62 ARG CG . 27606 1 721 . 1 1 62 62 ARG CD C 13 43.453 0.300 . 1 . . . . . 62 ARG CD . 27606 1 722 . 1 1 62 62 ARG N N 15 120.107 0.300 . 1 . . . . . 62 ARG N . 27606 1 723 . 1 1 63 63 GLN H H 1 8.057 0.030 . 1 . . . . . 63 GLN H . 27606 1 724 . 1 1 63 63 GLN HA H 1 4.225 0.030 . 1 . . . . . 63 GLN HA . 27606 1 725 . 1 1 63 63 GLN HB2 H 1 1.980 0.030 . 1 . . . . . 63 GLN HB2 . 27606 1 726 . 1 1 63 63 GLN HB3 H 1 1.980 0.030 . 1 . . . . . 63 GLN HB3 . 27606 1 727 . 1 1 63 63 GLN HG2 H 1 2.220 0.030 . 1 . . . . . 63 GLN HG2 . 27606 1 728 . 1 1 63 63 GLN HG3 H 1 2.220 0.030 . 1 . . . . . 63 GLN HG3 . 27606 1 729 . 1 1 63 63 GLN C C 13 175.850 0.300 . 1 . . . . . 63 GLN C . 27606 1 730 . 1 1 63 63 GLN CA C 13 56.166 0.300 . 1 . . . . . 63 GLN CA . 27606 1 731 . 1 1 63 63 GLN CB C 13 29.252 0.300 . 1 . . . . . 63 GLN CB . 27606 1 732 . 1 1 63 63 GLN CG C 13 33.609 0.300 . 1 . . . . . 63 GLN CG . 27606 1 733 . 1 1 63 63 GLN N N 15 119.396 0.300 . 1 . . . . . 63 GLN N . 27606 1 734 . 1 1 64 64 TYR H H 1 8.022 0.030 . 1 . . . . . 64 TYR H . 27606 1 735 . 1 1 64 64 TYR HA H 1 4.591 0.030 . 1 . . . . . 64 TYR HA . 27606 1 736 . 1 1 64 64 TYR HB2 H 1 3.125 0.030 . 2 . . . . . 64 TYR HB2 . 27606 1 737 . 1 1 64 64 TYR HB3 H 1 2.954 0.030 . 2 . . . . . 64 TYR HB3 . 27606 1 738 . 1 1 64 64 TYR HD1 H 1 7.140 0.030 . 1 . . . . . 64 TYR HD1 . 27606 1 739 . 1 1 64 64 TYR HD2 H 1 7.140 0.030 . 1 . . . . . 64 TYR HD2 . 27606 1 740 . 1 1 64 64 TYR HE1 H 1 6.816 0.030 . 1 . . . . . 64 TYR HE1 . 27606 1 741 . 1 1 64 64 TYR HE2 H 1 6.816 0.030 . 1 . . . . . 64 TYR HE2 . 27606 1 742 . 1 1 64 64 TYR C C 13 175.535 0.300 . 1 . . . . . 64 TYR C . 27606 1 743 . 1 1 64 64 TYR CA C 13 57.932 0.300 . 1 . . . . . 64 TYR CA . 27606 1 744 . 1 1 64 64 TYR CB C 13 38.681 0.300 . 1 . . . . . 64 TYR CB . 27606 1 745 . 1 1 64 64 TYR CD1 C 13 133.205 0.300 . 1 . . . . . 64 TYR CD1 . 27606 1 746 . 1 1 64 64 TYR CD2 C 13 133.205 0.300 . 1 . . . . . 64 TYR CD2 . 27606 1 747 . 1 1 64 64 TYR CE1 C 13 118.088 0.300 . 1 . . . . . 64 TYR CE1 . 27606 1 748 . 1 1 64 64 TYR CE2 C 13 118.088 0.300 . 1 . . . . . 64 TYR CE2 . 27606 1 749 . 1 1 64 64 TYR N N 15 120.249 0.300 . 1 . . . . . 64 TYR N . 27606 1 750 . 1 1 65 65 GLN H H 1 8.120 0.030 . 1 . . . . . 65 GLN H . 27606 1 751 . 1 1 65 65 GLN HA H 1 4.315 0.030 . 1 . . . . . 65 GLN HA . 27606 1 752 . 1 1 65 65 GLN HB2 H 1 2.113 0.030 . 2 . . . . . 65 GLN HB2 . 27606 1 753 . 1 1 65 65 GLN HB3 H 1 1.967 0.030 . 2 . . . . . 65 GLN HB3 . 27606 1 754 . 1 1 65 65 GLN HG2 H 1 2.330 0.030 . 1 . . . . . 65 GLN HG2 . 27606 1 755 . 1 1 65 65 GLN HG3 H 1 2.330 0.030 . 1 . . . . . 65 GLN HG3 . 27606 1 756 . 1 1 65 65 GLN C C 13 174.733 0.300 . 1 . . . . . 65 GLN C . 27606 1 757 . 1 1 65 65 GLN CA C 13 55.762 0.300 . 1 . . . . . 65 GLN CA . 27606 1 758 . 1 1 65 65 GLN CB C 13 29.621 0.300 . 1 . . . . . 65 GLN CB . 27606 1 759 . 1 1 65 65 GLN CG C 13 33.831 0.300 . 1 . . . . . 65 GLN CG . 27606 1 760 . 1 1 65 65 GLN N N 15 122.002 0.300 . 1 . . . . . 65 GLN N . 27606 1 761 . 1 1 66 66 GLN H H 1 7.981 0.030 . 1 . . . . . 66 GLN H . 27606 1 762 . 1 1 66 66 GLN HA H 1 4.134 0.030 . 1 . . . . . 66 GLN HA . 27606 1 763 . 1 1 66 66 GLN HB2 H 1 1.925 0.030 . 1 . . . . . 66 GLN HB2 . 27606 1 764 . 1 1 66 66 GLN HB3 H 1 1.925 0.030 . 1 . . . . . 66 GLN HB3 . 27606 1 765 . 1 1 66 66 GLN HG2 H 1 2.305 0.030 . 1 . . . . . 66 GLN HG2 . 27606 1 766 . 1 1 66 66 GLN HG3 H 1 2.305 0.030 . 1 . . . . . 66 GLN HG3 . 27606 1 767 . 1 1 66 66 GLN HE21 H 1 7.511 0.030 . 1 . . . . . 66 GLN HE21 . 27606 1 768 . 1 1 66 66 GLN HE22 H 1 7.511 0.030 . 1 . . . . . 66 GLN HE22 . 27606 1 769 . 1 1 66 66 GLN C C 13 180.610 0.300 . 1 . . . . . 66 GLN C . 27606 1 770 . 1 1 66 66 GLN CA C 13 57.508 0.300 . 1 . . . . . 66 GLN CA . 27606 1 771 . 1 1 66 66 GLN CB C 13 30.458 0.300 . 1 . . . . . 66 GLN CB . 27606 1 772 . 1 1 66 66 GLN CG C 13 34.362 0.300 . 1 . . . . . 66 GLN CG . 27606 1 773 . 1 1 66 66 GLN N N 15 127.065 0.300 . 1 . . . . . 66 GLN N . 27606 1 774 . 1 1 66 66 GLN NE2 N 15 112.111 0.300 . 1 . . . . . 66 GLN NE2 . 27606 1 stop_ save_