data_11352 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11352 _Entry.Title ; Solution structure of PHD domain in inhibitor of growth family, member 1-like ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-07 _Entry.Accession_date 2010-09-07 _Entry.Last_release_date 2011-09-07 _Entry.Original_release_date 2011-09-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 F. He . . . 11352 2 Y. Muto . . . 11352 3 M. Inoue . . . 11352 4 T. Kigawa . . . 11352 5 M. Shirouzu . . . 11352 6 T. Terada . . . 11352 7 S. Yokoyama . . . 11352 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11352 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11352 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 293 11352 '15N chemical shifts' 66 11352 '1H chemical shifts' 427 11352 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-09-07 2010-09-07 original author . 11352 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WES 'BMRB Entry Tracking System' 11352 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11352 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of PHD domain in inhibitor of growth family, member 1-like' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. He . . . 11352 1 2 Y. Muto . . . 11352 1 3 M. Inoue . . . 11352 1 4 T. Kigawa . . . 11352 1 5 M. Shirouzu . . . 11352 1 6 T. Terada . . . 11352 1 7 S. Yokoyama . . . 11352 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11352 _Assembly.ID 1 _Assembly.Name 'inhibitor of growth family, member 1-like' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PHD domain' 1 $entity_1 A . yes native no no . . . 11352 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11352 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11352 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'PHD domain' 1 CYS 19 19 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 19 CYS SG . . . . ZN 11352 1 2 coordination single . 1 'PHD domain' 1 CYS 46 46 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 46 CYS SG . . . . ZN 11352 1 3 coordination single . 1 'PHD domain' 1 HIS 43 43 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 43 HIS ND1 . . . . ZN 11352 1 4 coordination single . 1 'PHD domain' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11352 1 5 coordination single . 1 'PHD domain' 1 CYS 37 37 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 37 CYS SG . . . . ZN 11352 1 6 coordination single . 1 'PHD domain' 1 CYS 59 59 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 59 CYS SG . . . . ZN 11352 1 7 coordination single . 1 'PHD domain' 1 CYS 62 62 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 62 CYS SG . . . . ZN 11352 1 8 coordination single . 1 'PHD domain' 1 CYS 32 32 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 32 CYS SG . . . . ZN 11352 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 62 62 HG . 62 CYS HG 11352 1 . . 1 1 CYS 32 32 HG . 32 CYS HG 11352 1 . . 1 1 CYS 37 37 HG . 37 CYS HG 11352 1 . . 1 1 CYS 59 59 HG . 59 CYS HG 11352 1 . . 1 1 HIS 43 43 HD1 . 43 HIS HD1 11352 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11352 1 . . 1 1 CYS 19 19 HG . 19 CYS HG 11352 1 . . 1 1 CYS 46 46 HG . 46 CYS HG 11352 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1wes . . . . . . 11352 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11352 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PHD domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGEFAIDPNEPTYCL CNQVSYGEMIGCDNEQCPIE WFHFSCVSLTYKPKGKWYCP KCRGDSGPSSG ; _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 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WES . "Solution Structure Of Phd Domain In Inhibitor Of Growth Family, Member 1-Like" . . . . . 100.00 71 100.00 100.00 1.49e-43 . . . . 11352 1 2 no PDB 2G6Q . "Crystal Structure Of Ing2 Phd Finger In Complex With H3k4me3 Peptide" . . . . . 83.10 62 98.31 100.00 1.83e-35 . . . . 11352 1 3 no GB ERE88163 . "CDKN2A-interacting protein [Cricetulus griseus]" . . . . . 81.69 905 100.00 100.00 5.81e-36 . . . . 11352 1 4 no REF XP_004657164 . "PREDICTED: inhibitor of growth protein 2 [Jaculus jaculus]" . . . . . 83.10 284 98.31 100.00 1.96e-37 . . . . 11352 1 5 no REF XP_006099431 . "PREDICTED: inhibitor of growth protein 2 isoform X1 [Myotis lucifugus]" . . . . . 83.10 293 98.31 100.00 1.37e-36 . . . . 11352 1 6 no REF XP_006772779 . "PREDICTED: inhibitor of growth protein 2 [Myotis davidii]" . . . . . 83.10 249 98.31 100.00 1.04e-37 . . . . 11352 1 7 no REF XP_008150109 . "PREDICTED: inhibitor of growth protein 2 [Eptesicus fuscus]" . . . . . 83.10 280 98.31 100.00 1.17e-37 . . . . 11352 1 8 no REF XP_014320366 . "PREDICTED: inhibitor of growth protein 2 isoform X2 [Myotis lucifugus]" . . . . . 83.10 264 98.31 100.00 2.34e-37 . . . . 11352 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PHD domain' . 11352 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11352 1 2 . SER . 11352 1 3 . SER . 11352 1 4 . GLY . 11352 1 5 . SER . 11352 1 6 . SER . 11352 1 7 . GLY . 11352 1 8 . GLU . 11352 1 9 . PHE . 11352 1 10 . ALA . 11352 1 11 . ILE . 11352 1 12 . ASP . 11352 1 13 . PRO . 11352 1 14 . ASN . 11352 1 15 . GLU . 11352 1 16 . PRO . 11352 1 17 . THR . 11352 1 18 . TYR . 11352 1 19 . CYS . 11352 1 20 . LEU . 11352 1 21 . CYS . 11352 1 22 . ASN . 11352 1 23 . GLN . 11352 1 24 . VAL . 11352 1 25 . SER . 11352 1 26 . TYR . 11352 1 27 . GLY . 11352 1 28 . GLU . 11352 1 29 . MET . 11352 1 30 . ILE . 11352 1 31 . GLY . 11352 1 32 . CYS . 11352 1 33 . ASP . 11352 1 34 . ASN . 11352 1 35 . GLU . 11352 1 36 . GLN . 11352 1 37 . CYS . 11352 1 38 . PRO . 11352 1 39 . ILE . 11352 1 40 . GLU . 11352 1 41 . TRP . 11352 1 42 . PHE . 11352 1 43 . HIS . 11352 1 44 . PHE . 11352 1 45 . SER . 11352 1 46 . CYS . 11352 1 47 . VAL . 11352 1 48 . SER . 11352 1 49 . LEU . 11352 1 50 . THR . 11352 1 51 . TYR . 11352 1 52 . LYS . 11352 1 53 . PRO . 11352 1 54 . LYS . 11352 1 55 . GLY . 11352 1 56 . LYS . 11352 1 57 . TRP . 11352 1 58 . TYR . 11352 1 59 . CYS . 11352 1 60 . PRO . 11352 1 61 . LYS . 11352 1 62 . CYS . 11352 1 63 . ARG . 11352 1 64 . GLY . 11352 1 65 . ASP . 11352 1 66 . SER . 11352 1 67 . GLY . 11352 1 68 . PRO . 11352 1 69 . SER . 11352 1 70 . SER . 11352 1 71 . GLY . 11352 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 11352 1 . SER 2 2 11352 1 . SER 3 3 11352 1 . GLY 4 4 11352 1 . SER 5 5 11352 1 . SER 6 6 11352 1 . GLY 7 7 11352 1 . GLU 8 8 11352 1 . PHE 9 9 11352 1 . ALA 10 10 11352 1 . ILE 11 11 11352 1 . ASP 12 12 11352 1 . PRO 13 13 11352 1 . ASN 14 14 11352 1 . GLU 15 15 11352 1 . PRO 16 16 11352 1 . THR 17 17 11352 1 . TYR 18 18 11352 1 . CYS 19 19 11352 1 . LEU 20 20 11352 1 . CYS 21 21 11352 1 . ASN 22 22 11352 1 . GLN 23 23 11352 1 . VAL 24 24 11352 1 . SER 25 25 11352 1 . TYR 26 26 11352 1 . GLY 27 27 11352 1 . GLU 28 28 11352 1 . MET 29 29 11352 1 . ILE 30 30 11352 1 . GLY 31 31 11352 1 . CYS 32 32 11352 1 . ASP 33 33 11352 1 . ASN 34 34 11352 1 . GLU 35 35 11352 1 . GLN 36 36 11352 1 . CYS 37 37 11352 1 . PRO 38 38 11352 1 . ILE 39 39 11352 1 . GLU 40 40 11352 1 . TRP 41 41 11352 1 . PHE 42 42 11352 1 . HIS 43 43 11352 1 . PHE 44 44 11352 1 . SER 45 45 11352 1 . CYS 46 46 11352 1 . VAL 47 47 11352 1 . SER 48 48 11352 1 . LEU 49 49 11352 1 . THR 50 50 11352 1 . TYR 51 51 11352 1 . LYS 52 52 11352 1 . PRO 53 53 11352 1 . LYS 54 54 11352 1 . GLY 55 55 11352 1 . LYS 56 56 11352 1 . TRP 57 57 11352 1 . TYR 58 58 11352 1 . CYS 59 59 11352 1 . PRO 60 60 11352 1 . LYS 61 61 11352 1 . CYS 62 62 11352 1 . ARG 63 63 11352 1 . GLY 64 64 11352 1 . ASP 65 65 11352 1 . SER 66 66 11352 1 . GLY 67 67 11352 1 . PRO 68 68 11352 1 . SER 69 69 11352 1 . SER 70 70 11352 1 . GLY 71 71 11352 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11352 _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 . 11352 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 11352 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11352 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 11352 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P030408-27 . . . . . . 11352 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 11352 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 11352 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11352 ZN [Zn++] SMILES CACTVS 3.341 11352 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11352 ZN [Zn+2] SMILES ACDLabs 10.04 11352 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11352 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11352 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 11352 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11352 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 . 11352 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11352 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8mM {U-15,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 0.1mM {ZnCl2;} 1mM {d-DTT;} 0.02% {NaN3;} 90%H2O, 10%D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PHD domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.8 . . mM . . . . 11352 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11352 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11352 1 4 ZnCl2 'natural abundance' . . . . . salt 0.1 . . mM . . . . 11352 1 5 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11352 1 6 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11352 1 7 H2O . . . . . . solvent 90 . . % . . . . 11352 1 8 D2O . . . . . . solvent 10 . . % . . . . 11352 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11352 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11352 1 pH 7.0 0.05 pH 11352 1 pressure 1 0.001 atm 11352 1 temperature 293 0.1 K 11352 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11352 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11352 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11352 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11352 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio F.' . . 11352 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11352 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11352 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson B.A.' . . 11352 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11352 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11352 _Software.ID 4 _Software.Name Kujira _Software.Version 0.863 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi N.' . . 11352 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11352 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11352 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert P.' . . 11352 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11352 5 'structure solution' 11352 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11352 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11352 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11352 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 11352 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11352 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11352 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11352 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11352 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11352 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11352 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11352 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11352 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11352 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11352 1 2 $NMRPipe . . 11352 1 3 $NMRView . . 11352 1 4 $Kujira . . 11352 1 5 $CYANA . . 11352 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 3 3 SER HA H 1 4.464 0.030 . 1 . . . . 3 SER HA . 11352 1 2 . 1 1 3 3 SER HB2 H 1 3.857 0.030 . 1 . . . . 3 SER HB2 . 11352 1 3 . 1 1 3 3 SER HB3 H 1 3.857 0.030 . 1 . . . . 3 SER HB3 . 11352 1 4 . 1 1 3 3 SER C C 13 173.771 0.300 . 1 . . . . 3 SER C . 11352 1 5 . 1 1 3 3 SER CA C 13 58.270 0.300 . 1 . . . . 3 SER CA . 11352 1 6 . 1 1 3 3 SER CB C 13 64.336 0.300 . 1 . . . . 3 SER CB . 11352 1 7 . 1 1 4 4 GLY H H 1 7.995 0.030 . 1 . . . . 4 GLY H . 11352 1 8 . 1 1 4 4 GLY C C 13 178.968 0.300 . 1 . . . . 4 GLY C . 11352 1 9 . 1 1 4 4 GLY CA C 13 46.325 0.300 . 1 . . . . 4 GLY CA . 11352 1 10 . 1 1 4 4 GLY N N 15 116.615 0.300 . 1 . . . . 4 GLY N . 11352 1 11 . 1 1 6 6 SER HA H 1 4.485 0.030 . 1 . . . . 6 SER HA . 11352 1 12 . 1 1 6 6 SER HB2 H 1 3.889 0.030 . 1 . . . . 6 SER HB2 . 11352 1 13 . 1 1 6 6 SER HB3 H 1 3.889 0.030 . 1 . . . . 6 SER HB3 . 11352 1 14 . 1 1 6 6 SER C C 13 175.026 0.300 . 1 . . . . 6 SER C . 11352 1 15 . 1 1 6 6 SER CA C 13 58.664 0.300 . 1 . . . . 6 SER CA . 11352 1 16 . 1 1 6 6 SER CB C 13 63.747 0.300 . 1 . . . . 6 SER CB . 11352 1 17 . 1 1 7 7 GLY H H 1 8.372 0.030 . 1 . . . . 7 GLY H . 11352 1 18 . 1 1 7 7 GLY HA2 H 1 3.926 0.030 . 1 . . . . 7 GLY HA2 . 11352 1 19 . 1 1 7 7 GLY HA3 H 1 3.926 0.030 . 1 . . . . 7 GLY HA3 . 11352 1 20 . 1 1 7 7 GLY C C 13 174.054 0.300 . 1 . . . . 7 GLY C . 11352 1 21 . 1 1 7 7 GLY CA C 13 45.301 0.300 . 1 . . . . 7 GLY CA . 11352 1 22 . 1 1 7 7 GLY N N 15 110.605 0.300 . 1 . . . . 7 GLY N . 11352 1 23 . 1 1 8 8 GLU H H 1 8.222 0.030 . 1 . . . . 8 GLU H . 11352 1 24 . 1 1 8 8 GLU HA H 1 4.158 0.030 . 1 . . . . 8 GLU HA . 11352 1 25 . 1 1 8 8 GLU HB2 H 1 1.825 0.030 . 2 . . . . 8 GLU HB2 . 11352 1 26 . 1 1 8 8 GLU HB3 H 1 1.786 0.030 . 2 . . . . 8 GLU HB3 . 11352 1 27 . 1 1 8 8 GLU HG2 H 1 2.053 0.030 . 2 . . . . 8 GLU HG2 . 11352 1 28 . 1 1 8 8 GLU HG3 H 1 1.972 0.030 . 2 . . . . 8 GLU HG3 . 11352 1 29 . 1 1 8 8 GLU C C 13 176.074 0.300 . 1 . . . . 8 GLU C . 11352 1 30 . 1 1 8 8 GLU CA C 13 56.653 0.300 . 1 . . . . 8 GLU CA . 11352 1 31 . 1 1 8 8 GLU CB C 13 30.153 0.300 . 1 . . . . 8 GLU CB . 11352 1 32 . 1 1 8 8 GLU CG C 13 35.966 0.300 . 1 . . . . 8 GLU CG . 11352 1 33 . 1 1 8 8 GLU N N 15 120.627 0.300 . 1 . . . . 8 GLU N . 11352 1 34 . 1 1 9 9 PHE H H 1 8.169 0.030 . 1 . . . . 9 PHE H . 11352 1 35 . 1 1 9 9 PHE HA H 1 4.607 0.030 . 1 . . . . 9 PHE HA . 11352 1 36 . 1 1 9 9 PHE HB2 H 1 3.147 0.030 . 2 . . . . 9 PHE HB2 . 11352 1 37 . 1 1 9 9 PHE HB3 H 1 2.925 0.030 . 2 . . . . 9 PHE HB3 . 11352 1 38 . 1 1 9 9 PHE HD1 H 1 7.206 0.030 . 1 . . . . 9 PHE HD1 . 11352 1 39 . 1 1 9 9 PHE HD2 H 1 7.206 0.030 . 1 . . . . 9 PHE HD2 . 11352 1 40 . 1 1 9 9 PHE HE1 H 1 7.284 0.030 . 1 . . . . 9 PHE HE1 . 11352 1 41 . 1 1 9 9 PHE HE2 H 1 7.284 0.030 . 1 . . . . 9 PHE HE2 . 11352 1 42 . 1 1 9 9 PHE HZ H 1 7.227 0.030 . 1 . . . . 9 PHE HZ . 11352 1 43 . 1 1 9 9 PHE C C 13 175.064 0.300 . 1 . . . . 9 PHE C . 11352 1 44 . 1 1 9 9 PHE CA C 13 57.173 0.300 . 1 . . . . 9 PHE CA . 11352 1 45 . 1 1 9 9 PHE CB C 13 39.706 0.300 . 1 . . . . 9 PHE CB . 11352 1 46 . 1 1 9 9 PHE CD1 C 13 131.660 0.300 . 1 . . . . 9 PHE CD1 . 11352 1 47 . 1 1 9 9 PHE CD2 C 13 131.660 0.300 . 1 . . . . 9 PHE CD2 . 11352 1 48 . 1 1 9 9 PHE CE1 C 13 131.660 0.300 . 1 . . . . 9 PHE CE1 . 11352 1 49 . 1 1 9 9 PHE CE2 C 13 131.660 0.300 . 1 . . . . 9 PHE CE2 . 11352 1 50 . 1 1 9 9 PHE CZ C 13 129.848 0.300 . 1 . . . . 9 PHE CZ . 11352 1 51 . 1 1 9 9 PHE N N 15 120.179 0.300 . 1 . . . . 9 PHE N . 11352 1 52 . 1 1 10 10 ALA H H 1 8.120 0.030 . 1 . . . . 10 ALA H . 11352 1 53 . 1 1 10 10 ALA HA H 1 4.312 0.030 . 1 . . . . 10 ALA HA . 11352 1 54 . 1 1 10 10 ALA HB1 H 1 1.307 0.030 . 1 . . . . 10 ALA HB . 11352 1 55 . 1 1 10 10 ALA HB2 H 1 1.307 0.030 . 1 . . . . 10 ALA HB . 11352 1 56 . 1 1 10 10 ALA HB3 H 1 1.307 0.030 . 1 . . . . 10 ALA HB . 11352 1 57 . 1 1 10 10 ALA C C 13 176.972 0.300 . 1 . . . . 10 ALA C . 11352 1 58 . 1 1 10 10 ALA CA C 13 52.101 0.300 . 1 . . . . 10 ALA CA . 11352 1 59 . 1 1 10 10 ALA CB C 13 19.423 0.300 . 1 . . . . 10 ALA CB . 11352 1 60 . 1 1 10 10 ALA N N 15 125.758 0.300 . 1 . . . . 10 ALA N . 11352 1 61 . 1 1 11 11 ILE H H 1 8.105 0.030 . 1 . . . . 11 ILE H . 11352 1 62 . 1 1 11 11 ILE HA H 1 4.094 0.030 . 1 . . . . 11 ILE HA . 11352 1 63 . 1 1 11 11 ILE HB H 1 1.782 0.030 . 1 . . . . 11 ILE HB . 11352 1 64 . 1 1 11 11 ILE HD11 H 1 0.847 0.030 . 1 . . . . 11 ILE HD1 . 11352 1 65 . 1 1 11 11 ILE HD12 H 1 0.847 0.030 . 1 . . . . 11 ILE HD1 . 11352 1 66 . 1 1 11 11 ILE HD13 H 1 0.847 0.030 . 1 . . . . 11 ILE HD1 . 11352 1 67 . 1 1 11 11 ILE HG12 H 1 1.447 0.030 . 2 . . . . 11 ILE HG12 . 11352 1 68 . 1 1 11 11 ILE HG13 H 1 1.161 0.030 . 2 . . . . 11 ILE HG13 . 11352 1 69 . 1 1 11 11 ILE HG21 H 1 0.847 0.030 . 1 . . . . 11 ILE HG2 . 11352 1 70 . 1 1 11 11 ILE HG22 H 1 0.847 0.030 . 1 . . . . 11 ILE HG2 . 11352 1 71 . 1 1 11 11 ILE HG23 H 1 0.847 0.030 . 1 . . . . 11 ILE HG2 . 11352 1 72 . 1 1 11 11 ILE C C 13 175.751 0.300 . 1 . . . . 11 ILE C . 11352 1 73 . 1 1 11 11 ILE CA C 13 60.652 0.300 . 1 . . . . 11 ILE CA . 11352 1 74 . 1 1 11 11 ILE CB C 13 39.073 0.300 . 1 . . . . 11 ILE CB . 11352 1 75 . 1 1 11 11 ILE CD1 C 13 12.947 0.300 . 1 . . . . 11 ILE CD1 . 11352 1 76 . 1 1 11 11 ILE CG1 C 13 27.304 0.300 . 1 . . . . 11 ILE CG1 . 11352 1 77 . 1 1 11 11 ILE CG2 C 13 17.436 0.300 . 1 . . . . 11 ILE CG2 . 11352 1 78 . 1 1 11 11 ILE N N 15 120.570 0.300 . 1 . . . . 11 ILE N . 11352 1 79 . 1 1 12 12 ASP H H 1 8.596 0.030 . 1 . . . . 12 ASP H . 11352 1 80 . 1 1 12 12 ASP HA H 1 4.855 0.030 . 1 . . . . 12 ASP HA . 11352 1 81 . 1 1 12 12 ASP HB2 H 1 2.841 0.030 . 1 . . . . 12 ASP HB2 . 11352 1 82 . 1 1 12 12 ASP HB3 H 1 2.841 0.030 . 1 . . . . 12 ASP HB3 . 11352 1 83 . 1 1 12 12 ASP C C 13 175.126 0.300 . 1 . . . . 12 ASP C . 11352 1 84 . 1 1 12 12 ASP CA C 13 51.724 0.300 . 1 . . . . 12 ASP CA . 11352 1 85 . 1 1 12 12 ASP CB C 13 41.521 0.300 . 1 . . . . 12 ASP CB . 11352 1 86 . 1 1 12 12 ASP N N 15 126.985 0.300 . 1 . . . . 12 ASP N . 11352 1 87 . 1 1 13 13 PRO HA H 1 4.400 0.030 . 1 . . . . 13 PRO HA . 11352 1 88 . 1 1 13 13 PRO HB2 H 1 2.242 0.030 . 2 . . . . 13 PRO HB2 . 11352 1 89 . 1 1 13 13 PRO HB3 H 1 1.934 0.030 . 2 . . . . 13 PRO HB3 . 11352 1 90 . 1 1 13 13 PRO HD2 H 1 3.846 0.030 . 1 . . . . 13 PRO HD2 . 11352 1 91 . 1 1 13 13 PRO HD3 H 1 3.846 0.030 . 1 . . . . 13 PRO HD3 . 11352 1 92 . 1 1 13 13 PRO HG2 H 1 1.934 0.030 . 1 . . . . 13 PRO HG2 . 11352 1 93 . 1 1 13 13 PRO HG3 H 1 1.934 0.030 . 1 . . . . 13 PRO HG3 . 11352 1 94 . 1 1 13 13 PRO C C 13 176.798 0.300 . 1 . . . . 13 PRO C . 11352 1 95 . 1 1 13 13 PRO CA C 13 63.558 0.300 . 1 . . . . 13 PRO CA . 11352 1 96 . 1 1 13 13 PRO CB C 13 32.134 0.300 . 1 . . . . 13 PRO CB . 11352 1 97 . 1 1 13 13 PRO CD C 13 50.867 0.300 . 1 . . . . 13 PRO CD . 11352 1 98 . 1 1 13 13 PRO CG C 13 26.883 0.300 . 1 . . . . 13 PRO CG . 11352 1 99 . 1 1 14 14 ASN H H 1 8.539 0.030 . 1 . . . . 14 ASN H . 11352 1 100 . 1 1 14 14 ASN HA H 1 4.675 0.030 . 1 . . . . 14 ASN HA . 11352 1 101 . 1 1 14 14 ASN HB2 H 1 2.801 0.030 . 2 . . . . 14 ASN HB2 . 11352 1 102 . 1 1 14 14 ASN HB3 H 1 2.702 0.030 . 2 . . . . 14 ASN HB3 . 11352 1 103 . 1 1 14 14 ASN HD21 H 1 7.815 0.030 . 2 . . . . 14 ASN HD21 . 11352 1 104 . 1 1 14 14 ASN HD22 H 1 6.938 0.030 . 2 . . . . 14 ASN HD22 . 11352 1 105 . 1 1 14 14 ASN C C 13 174.847 0.300 . 1 . . . . 14 ASN C . 11352 1 106 . 1 1 14 14 ASN CA C 13 53.126 0.300 . 1 . . . . 14 ASN CA . 11352 1 107 . 1 1 14 14 ASN CB C 13 39.001 0.300 . 1 . . . . 14 ASN CB . 11352 1 108 . 1 1 14 14 ASN N N 15 117.415 0.300 . 1 . . . . 14 ASN N . 11352 1 109 . 1 1 14 14 ASN ND2 N 15 114.374 0.300 . 1 . . . . 14 ASN ND2 . 11352 1 110 . 1 1 15 15 GLU H H 1 7.851 0.030 . 1 . . . . 15 GLU H . 11352 1 111 . 1 1 15 15 GLU HA H 1 4.523 0.030 . 1 . . . . 15 GLU HA . 11352 1 112 . 1 1 15 15 GLU HB2 H 1 1.964 0.030 . 1 . . . . 15 GLU HB2 . 11352 1 113 . 1 1 15 15 GLU HB3 H 1 1.964 0.030 . 1 . . . . 15 GLU HB3 . 11352 1 114 . 1 1 15 15 GLU HG2 H 1 2.322 0.030 . 1 . . . . 15 GLU HG2 . 11352 1 115 . 1 1 15 15 GLU HG3 H 1 2.322 0.030 . 1 . . . . 15 GLU HG3 . 11352 1 116 . 1 1 15 15 GLU C C 13 173.939 0.300 . 1 . . . . 15 GLU C . 11352 1 117 . 1 1 15 15 GLU CA C 13 54.391 0.300 . 1 . . . . 15 GLU CA . 11352 1 118 . 1 1 15 15 GLU CB C 13 30.064 0.300 . 1 . . . . 15 GLU CB . 11352 1 119 . 1 1 15 15 GLU CG C 13 35.811 0.300 . 1 . . . . 15 GLU CG . 11352 1 120 . 1 1 15 15 GLU N N 15 122.696 0.300 . 1 . . . . 15 GLU N . 11352 1 121 . 1 1 16 16 PRO HA H 1 4.291 0.030 . 1 . . . . 16 PRO HA . 11352 1 122 . 1 1 16 16 PRO HB2 H 1 2.085 0.030 . 2 . . . . 16 PRO HB2 . 11352 1 123 . 1 1 16 16 PRO HB3 H 1 1.545 0.030 . 2 . . . . 16 PRO HB3 . 11352 1 124 . 1 1 16 16 PRO HD2 H 1 3.809 0.030 . 2 . . . . 16 PRO HD2 . 11352 1 125 . 1 1 16 16 PRO HD3 H 1 3.675 0.030 . 2 . . . . 16 PRO HD3 . 11352 1 126 . 1 1 16 16 PRO HG2 H 1 2.040 0.030 . 2 . . . . 16 PRO HG2 . 11352 1 127 . 1 1 16 16 PRO HG3 H 1 1.978 0.030 . 2 . . . . 16 PRO HG3 . 11352 1 128 . 1 1 16 16 PRO C C 13 175.179 0.300 . 1 . . . . 16 PRO C . 11352 1 129 . 1 1 16 16 PRO CA C 13 62.924 0.300 . 1 . . . . 16 PRO CA . 11352 1 130 . 1 1 16 16 PRO CB C 13 32.134 0.300 . 1 . . . . 16 PRO CB . 11352 1 131 . 1 1 16 16 PRO CD C 13 50.830 0.300 . 1 . . . . 16 PRO CD . 11352 1 132 . 1 1 16 16 PRO CG C 13 27.536 0.300 . 1 . . . . 16 PRO CG . 11352 1 133 . 1 1 17 17 THR H H 1 7.551 0.030 . 1 . . . . 17 THR H . 11352 1 134 . 1 1 17 17 THR HA H 1 4.111 0.030 . 1 . . . . 17 THR HA . 11352 1 135 . 1 1 17 17 THR HB H 1 3.652 0.030 . 1 . . . . 17 THR HB . 11352 1 136 . 1 1 17 17 THR HG21 H 1 0.954 0.030 . 1 . . . . 17 THR HG2 . 11352 1 137 . 1 1 17 17 THR HG22 H 1 0.954 0.030 . 1 . . . . 17 THR HG2 . 11352 1 138 . 1 1 17 17 THR HG23 H 1 0.954 0.030 . 1 . . . . 17 THR HG2 . 11352 1 139 . 1 1 17 17 THR C C 13 172.963 0.300 . 1 . . . . 17 THR C . 11352 1 140 . 1 1 17 17 THR CA C 13 59.533 0.300 . 1 . . . . 17 THR CA . 11352 1 141 . 1 1 17 17 THR CB C 13 70.892 0.300 . 1 . . . . 17 THR CB . 11352 1 142 . 1 1 17 17 THR CG2 C 13 21.935 0.300 . 1 . . . . 17 THR CG2 . 11352 1 143 . 1 1 17 17 THR N N 15 109.079 0.300 . 1 . . . . 17 THR N . 11352 1 144 . 1 1 18 18 TYR H H 1 8.245 0.030 . 1 . . . . 18 TYR H . 11352 1 145 . 1 1 18 18 TYR HA H 1 5.086 0.030 . 1 . . . . 18 TYR HA . 11352 1 146 . 1 1 18 18 TYR HB2 H 1 3.128 0.030 . 2 . . . . 18 TYR HB2 . 11352 1 147 . 1 1 18 18 TYR HB3 H 1 1.989 0.030 . 2 . . . . 18 TYR HB3 . 11352 1 148 . 1 1 18 18 TYR HD1 H 1 7.106 0.030 . 1 . . . . 18 TYR HD1 . 11352 1 149 . 1 1 18 18 TYR HD2 H 1 7.106 0.030 . 1 . . . . 18 TYR HD2 . 11352 1 150 . 1 1 18 18 TYR HE1 H 1 6.802 0.030 . 1 . . . . 18 TYR HE1 . 11352 1 151 . 1 1 18 18 TYR HE2 H 1 6.802 0.030 . 1 . . . . 18 TYR HE2 . 11352 1 152 . 1 1 18 18 TYR C C 13 174.113 0.300 . 1 . . . . 18 TYR C . 11352 1 153 . 1 1 18 18 TYR CA C 13 57.098 0.300 . 1 . . . . 18 TYR CA . 11352 1 154 . 1 1 18 18 TYR CB C 13 43.718 0.300 . 1 . . . . 18 TYR CB . 11352 1 155 . 1 1 18 18 TYR CD1 C 13 133.337 0.300 . 1 . . . . 18 TYR CD1 . 11352 1 156 . 1 1 18 18 TYR CD2 C 13 133.337 0.300 . 1 . . . . 18 TYR CD2 . 11352 1 157 . 1 1 18 18 TYR CE1 C 13 118.042 0.300 . 1 . . . . 18 TYR CE1 . 11352 1 158 . 1 1 18 18 TYR CE2 C 13 118.042 0.300 . 1 . . . . 18 TYR CE2 . 11352 1 159 . 1 1 18 18 TYR N N 15 118.312 0.300 . 1 . . . . 18 TYR N . 11352 1 160 . 1 1 19 19 CYS H H 1 7.129 0.030 . 1 . . . . 19 CYS H . 11352 1 161 . 1 1 19 19 CYS HA H 1 3.670 0.030 . 1 . . . . 19 CYS HA . 11352 1 162 . 1 1 19 19 CYS HB2 H 1 4.679 0.030 . 2 . . . . 19 CYS HB2 . 11352 1 163 . 1 1 19 19 CYS HB3 H 1 2.358 0.030 . 2 . . . . 19 CYS HB3 . 11352 1 164 . 1 1 19 19 CYS C C 13 175.346 0.300 . 1 . . . . 19 CYS C . 11352 1 165 . 1 1 19 19 CYS CA C 13 59.253 0.300 . 1 . . . . 19 CYS CA . 11352 1 166 . 1 1 19 19 CYS CB C 13 30.161 0.300 . 1 . . . . 19 CYS CB . 11352 1 167 . 1 1 19 19 CYS N N 15 115.669 0.300 . 1 . . . . 19 CYS N . 11352 1 168 . 1 1 20 20 LEU H H 1 10.064 0.030 . 1 . . . . 20 LEU H . 11352 1 169 . 1 1 20 20 LEU HA H 1 4.403 0.030 . 1 . . . . 20 LEU HA . 11352 1 170 . 1 1 20 20 LEU HB2 H 1 2.036 0.030 . 2 . . . . 20 LEU HB2 . 11352 1 171 . 1 1 20 20 LEU HB3 H 1 1.892 0.030 . 2 . . . . 20 LEU HB3 . 11352 1 172 . 1 1 20 20 LEU HD11 H 1 1.151 0.030 . 1 . . . . 20 LEU HD1 . 11352 1 173 . 1 1 20 20 LEU HD12 H 1 1.151 0.030 . 1 . . . . 20 LEU HD1 . 11352 1 174 . 1 1 20 20 LEU HD13 H 1 1.151 0.030 . 1 . . . . 20 LEU HD1 . 11352 1 175 . 1 1 20 20 LEU HD21 H 1 1.151 0.030 . 1 . . . . 20 LEU HD2 . 11352 1 176 . 1 1 20 20 LEU HD22 H 1 1.151 0.030 . 1 . . . . 20 LEU HD2 . 11352 1 177 . 1 1 20 20 LEU HD23 H 1 1.151 0.030 . 1 . . . . 20 LEU HD2 . 11352 1 178 . 1 1 20 20 LEU HG H 1 2.204 0.030 . 1 . . . . 20 LEU HG . 11352 1 179 . 1 1 20 20 LEU C C 13 178.117 0.300 . 1 . . . . 20 LEU C . 11352 1 180 . 1 1 20 20 LEU CA C 13 57.049 0.300 . 1 . . . . 20 LEU CA . 11352 1 181 . 1 1 20 20 LEU CB C 13 42.661 0.300 . 1 . . . . 20 LEU CB . 11352 1 182 . 1 1 20 20 LEU CD1 C 13 25.661 0.300 . 2 . . . . 20 LEU CD1 . 11352 1 183 . 1 1 20 20 LEU CD2 C 13 23.736 0.300 . 2 . . . . 20 LEU CD2 . 11352 1 184 . 1 1 20 20 LEU CG C 13 27.593 0.300 . 1 . . . . 20 LEU CG . 11352 1 185 . 1 1 20 20 LEU N N 15 127.053 0.300 . 1 . . . . 20 LEU N . 11352 1 186 . 1 1 21 21 CYS H H 1 7.651 0.030 . 1 . . . . 21 CYS H . 11352 1 187 . 1 1 21 21 CYS HA H 1 4.871 0.030 . 1 . . . . 21 CYS HA . 11352 1 188 . 1 1 21 21 CYS HB2 H 1 3.319 0.030 . 2 . . . . 21 CYS HB2 . 11352 1 189 . 1 1 21 21 CYS HB3 H 1 3.177 0.030 . 2 . . . . 21 CYS HB3 . 11352 1 190 . 1 1 21 21 CYS C C 13 175.928 0.300 . 1 . . . . 21 CYS C . 11352 1 191 . 1 1 21 21 CYS CA C 13 57.912 0.300 . 1 . . . . 21 CYS CA . 11352 1 192 . 1 1 21 21 CYS CB C 13 31.089 0.300 . 1 . . . . 21 CYS CB . 11352 1 193 . 1 1 21 21 CYS N N 15 114.127 0.300 . 1 . . . . 21 CYS N . 11352 1 194 . 1 1 22 22 ASN H H 1 7.860 0.030 . 1 . . . . 22 ASN H . 11352 1 195 . 1 1 22 22 ASN HA H 1 4.531 0.030 . 1 . . . . 22 ASN HA . 11352 1 196 . 1 1 22 22 ASN HB2 H 1 3.084 0.030 . 2 . . . . 22 ASN HB2 . 11352 1 197 . 1 1 22 22 ASN HB3 H 1 2.777 0.030 . 2 . . . . 22 ASN HB3 . 11352 1 198 . 1 1 22 22 ASN HD21 H 1 7.564 0.030 . 2 . . . . 22 ASN HD21 . 11352 1 199 . 1 1 22 22 ASN HD22 H 1 6.864 0.030 . 2 . . . . 22 ASN HD22 . 11352 1 200 . 1 1 22 22 ASN C C 13 173.526 0.300 . 1 . . . . 22 ASN C . 11352 1 201 . 1 1 22 22 ASN CA C 13 54.787 0.300 . 1 . . . . 22 ASN CA . 11352 1 202 . 1 1 22 22 ASN CB C 13 37.526 0.300 . 1 . . . . 22 ASN CB . 11352 1 203 . 1 1 22 22 ASN N N 15 120.974 0.300 . 1 . . . . 22 ASN N . 11352 1 204 . 1 1 22 22 ASN ND2 N 15 113.672 0.300 . 1 . . . . 22 ASN ND2 . 11352 1 205 . 1 1 23 23 GLN H H 1 8.048 0.030 . 1 . . . . 23 GLN H . 11352 1 206 . 1 1 23 23 GLN HA H 1 4.992 0.030 . 1 . . . . 23 GLN HA . 11352 1 207 . 1 1 23 23 GLN HB2 H 1 2.474 0.030 . 2 . . . . 23 GLN HB2 . 11352 1 208 . 1 1 23 23 GLN HB3 H 1 2.301 0.030 . 2 . . . . 23 GLN HB3 . 11352 1 209 . 1 1 23 23 GLN HE21 H 1 7.489 0.030 . 2 . . . . 23 GLN HE21 . 11352 1 210 . 1 1 23 23 GLN HE22 H 1 6.861 0.030 . 2 . . . . 23 GLN HE22 . 11352 1 211 . 1 1 23 23 GLN HG2 H 1 2.561 0.030 . 2 . . . . 23 GLN HG2 . 11352 1 212 . 1 1 23 23 GLN HG3 H 1 2.499 0.030 . 2 . . . . 23 GLN HG3 . 11352 1 213 . 1 1 23 23 GLN C C 13 176.109 0.300 . 1 . . . . 23 GLN C . 11352 1 214 . 1 1 23 23 GLN CA C 13 54.132 0.300 . 1 . . . . 23 GLN CA . 11352 1 215 . 1 1 23 23 GLN CB C 13 32.956 0.300 . 1 . . . . 23 GLN CB . 11352 1 216 . 1 1 23 23 GLN CG C 13 34.149 0.300 . 1 . . . . 23 GLN CG . 11352 1 217 . 1 1 23 23 GLN N N 15 116.271 0.300 . 1 . . . . 23 GLN N . 11352 1 218 . 1 1 23 23 GLN NE2 N 15 113.245 0.300 . 1 . . . . 23 GLN NE2 . 11352 1 219 . 1 1 24 24 VAL H H 1 8.184 0.030 . 1 . . . . 24 VAL H . 11352 1 220 . 1 1 24 24 VAL HA H 1 4.510 0.030 . 1 . . . . 24 VAL HA . 11352 1 221 . 1 1 24 24 VAL HB H 1 2.552 0.030 . 1 . . . . 24 VAL HB . 11352 1 222 . 1 1 24 24 VAL HG11 H 1 1.028 0.030 . 1 . . . . 24 VAL HG1 . 11352 1 223 . 1 1 24 24 VAL HG12 H 1 1.028 0.030 . 1 . . . . 24 VAL HG1 . 11352 1 224 . 1 1 24 24 VAL HG13 H 1 1.028 0.030 . 1 . . . . 24 VAL HG1 . 11352 1 225 . 1 1 24 24 VAL HG21 H 1 0.997 0.030 . 1 . . . . 24 VAL HG2 . 11352 1 226 . 1 1 24 24 VAL HG22 H 1 0.997 0.030 . 1 . . . . 24 VAL HG2 . 11352 1 227 . 1 1 24 24 VAL HG23 H 1 0.997 0.030 . 1 . . . . 24 VAL HG2 . 11352 1 228 . 1 1 24 24 VAL C C 13 176.286 0.300 . 1 . . . . 24 VAL C . 11352 1 229 . 1 1 24 24 VAL CA C 13 61.489 0.300 . 1 . . . . 24 VAL CA . 11352 1 230 . 1 1 24 24 VAL CB C 13 33.082 0.300 . 1 . . . . 24 VAL CB . 11352 1 231 . 1 1 24 24 VAL CG1 C 13 21.529 0.300 . 2 . . . . 24 VAL CG1 . 11352 1 232 . 1 1 24 24 VAL CG2 C 13 17.864 0.300 . 2 . . . . 24 VAL CG2 . 11352 1 233 . 1 1 24 24 VAL N N 15 113.346 0.300 . 1 . . . . 24 VAL N . 11352 1 234 . 1 1 25 25 SER H H 1 8.943 0.030 . 1 . . . . 25 SER H . 11352 1 235 . 1 1 25 25 SER HA H 1 4.037 0.030 . 1 . . . . 25 SER HA . 11352 1 236 . 1 1 25 25 SER HB2 H 1 3.660 0.030 . 1 . . . . 25 SER HB2 . 11352 1 237 . 1 1 25 25 SER HB3 H 1 3.660 0.030 . 1 . . . . 25 SER HB3 . 11352 1 238 . 1 1 25 25 SER C C 13 173.919 0.300 . 1 . . . . 25 SER C . 11352 1 239 . 1 1 25 25 SER CA C 13 59.564 0.300 . 1 . . . . 25 SER CA . 11352 1 240 . 1 1 25 25 SER CB C 13 63.281 0.300 . 1 . . . . 25 SER CB . 11352 1 241 . 1 1 25 25 SER N N 15 115.578 0.300 . 1 . . . . 25 SER N . 11352 1 242 . 1 1 26 26 TYR H H 1 7.399 0.030 . 1 . . . . 26 TYR H . 11352 1 243 . 1 1 26 26 TYR HA H 1 4.598 0.030 . 1 . . . . 26 TYR HA . 11352 1 244 . 1 1 26 26 TYR HB2 H 1 3.147 0.030 . 2 . . . . 26 TYR HB2 . 11352 1 245 . 1 1 26 26 TYR HB3 H 1 2.940 0.030 . 2 . . . . 26 TYR HB3 . 11352 1 246 . 1 1 26 26 TYR HD1 H 1 6.904 0.030 . 1 . . . . 26 TYR HD1 . 11352 1 247 . 1 1 26 26 TYR HD2 H 1 6.904 0.030 . 1 . . . . 26 TYR HD2 . 11352 1 248 . 1 1 26 26 TYR HE1 H 1 6.442 0.030 . 1 . . . . 26 TYR HE1 . 11352 1 249 . 1 1 26 26 TYR HE2 H 1 6.442 0.030 . 1 . . . . 26 TYR HE2 . 11352 1 250 . 1 1 26 26 TYR C C 13 174.565 0.300 . 1 . . . . 26 TYR C . 11352 1 251 . 1 1 26 26 TYR CA C 13 57.959 0.300 . 1 . . . . 26 TYR CA . 11352 1 252 . 1 1 26 26 TYR CB C 13 39.443 0.300 . 1 . . . . 26 TYR CB . 11352 1 253 . 1 1 26 26 TYR CD1 C 13 133.739 0.300 . 1 . . . . 26 TYR CD1 . 11352 1 254 . 1 1 26 26 TYR CD2 C 13 133.739 0.300 . 1 . . . . 26 TYR CD2 . 11352 1 255 . 1 1 26 26 TYR CE1 C 13 117.438 0.300 . 1 . . . . 26 TYR CE1 . 11352 1 256 . 1 1 26 26 TYR CE2 C 13 117.438 0.300 . 1 . . . . 26 TYR CE2 . 11352 1 257 . 1 1 26 26 TYR N N 15 120.154 0.300 . 1 . . . . 26 TYR N . 11352 1 258 . 1 1 27 27 GLY H H 1 8.669 0.030 . 1 . . . . 27 GLY H . 11352 1 259 . 1 1 27 27 GLY HA2 H 1 3.837 0.030 . 2 . . . . 27 GLY HA2 . 11352 1 260 . 1 1 27 27 GLY HA3 H 1 3.741 0.030 . 2 . . . . 27 GLY HA3 . 11352 1 261 . 1 1 27 27 GLY C C 13 173.168 0.300 . 1 . . . . 27 GLY C . 11352 1 262 . 1 1 27 27 GLY CA C 13 45.606 0.300 . 1 . . . . 27 GLY CA . 11352 1 263 . 1 1 27 27 GLY N N 15 109.135 0.300 . 1 . . . . 27 GLY N . 11352 1 264 . 1 1 28 28 GLU H H 1 8.264 0.030 . 1 . . . . 28 GLU H . 11352 1 265 . 1 1 28 28 GLU HA H 1 3.984 0.030 . 1 . . . . 28 GLU HA . 11352 1 266 . 1 1 28 28 GLU HB2 H 1 0.962 0.030 . 2 . . . . 28 GLU HB2 . 11352 1 267 . 1 1 28 28 GLU HB3 H 1 0.501 0.030 . 2 . . . . 28 GLU HB3 . 11352 1 268 . 1 1 28 28 GLU HG2 H 1 1.896 0.030 . 2 . . . . 28 GLU HG2 . 11352 1 269 . 1 1 28 28 GLU HG3 H 1 1.746 0.030 . 2 . . . . 28 GLU HG3 . 11352 1 270 . 1 1 28 28 GLU C C 13 175.904 0.300 . 1 . . . . 28 GLU C . 11352 1 271 . 1 1 28 28 GLU CA C 13 56.584 0.300 . 1 . . . . 28 GLU CA . 11352 1 272 . 1 1 28 28 GLU CB C 13 28.310 0.300 . 1 . . . . 28 GLU CB . 11352 1 273 . 1 1 28 28 GLU CG C 13 36.222 0.300 . 1 . . . . 28 GLU CG . 11352 1 274 . 1 1 28 28 GLU N N 15 122.263 0.300 . 1 . . . . 28 GLU N . 11352 1 275 . 1 1 29 29 MET H H 1 8.313 0.030 . 1 . . . . 29 MET H . 11352 1 276 . 1 1 29 29 MET HA H 1 5.517 0.030 . 1 . . . . 29 MET HA . 11352 1 277 . 1 1 29 29 MET HB2 H 1 1.729 0.030 . 2 . . . . 29 MET HB2 . 11352 1 278 . 1 1 29 29 MET HB3 H 1 1.607 0.030 . 2 . . . . 29 MET HB3 . 11352 1 279 . 1 1 29 29 MET HE1 H 1 1.047 0.030 . 1 . . . . 29 MET HE . 11352 1 280 . 1 1 29 29 MET HE2 H 1 1.047 0.030 . 1 . . . . 29 MET HE . 11352 1 281 . 1 1 29 29 MET HE3 H 1 1.047 0.030 . 1 . . . . 29 MET HE . 11352 1 282 . 1 1 29 29 MET HG2 H 1 2.174 0.030 . 2 . . . . 29 MET HG2 . 11352 1 283 . 1 1 29 29 MET HG3 H 1 2.100 0.030 . 2 . . . . 29 MET HG3 . 11352 1 284 . 1 1 29 29 MET C C 13 175.199 0.300 . 1 . . . . 29 MET C . 11352 1 285 . 1 1 29 29 MET CA C 13 52.818 0.300 . 1 . . . . 29 MET CA . 11352 1 286 . 1 1 29 29 MET CB C 13 34.283 0.300 . 1 . . . . 29 MET CB . 11352 1 287 . 1 1 29 29 MET CE C 13 14.504 0.300 . 1 . . . . 29 MET CE . 11352 1 288 . 1 1 29 29 MET CG C 13 31.480 0.300 . 1 . . . . 29 MET CG . 11352 1 289 . 1 1 29 29 MET N N 15 124.023 0.300 . 1 . . . . 29 MET N . 11352 1 290 . 1 1 30 30 ILE H H 1 9.689 0.030 . 1 . . . . 30 ILE H . 11352 1 291 . 1 1 30 30 ILE HA H 1 4.740 0.030 . 1 . . . . 30 ILE HA . 11352 1 292 . 1 1 30 30 ILE HB H 1 1.311 0.030 . 1 . . . . 30 ILE HB . 11352 1 293 . 1 1 30 30 ILE HD11 H 1 -0.053 0.030 . 1 . . . . 30 ILE HD1 . 11352 1 294 . 1 1 30 30 ILE HD12 H 1 -0.053 0.030 . 1 . . . . 30 ILE HD1 . 11352 1 295 . 1 1 30 30 ILE HD13 H 1 -0.053 0.030 . 1 . . . . 30 ILE HD1 . 11352 1 296 . 1 1 30 30 ILE HG12 H 1 1.201 0.030 . 2 . . . . 30 ILE HG12 . 11352 1 297 . 1 1 30 30 ILE HG13 H 1 0.535 0.030 . 2 . . . . 30 ILE HG13 . 11352 1 298 . 1 1 30 30 ILE HG21 H 1 0.097 0.030 . 1 . . . . 30 ILE HG2 . 11352 1 299 . 1 1 30 30 ILE HG22 H 1 0.097 0.030 . 1 . . . . 30 ILE HG2 . 11352 1 300 . 1 1 30 30 ILE HG23 H 1 0.097 0.030 . 1 . . . . 30 ILE HG2 . 11352 1 301 . 1 1 30 30 ILE C C 13 172.070 0.300 . 1 . . . . 30 ILE C . 11352 1 302 . 1 1 30 30 ILE CA C 13 58.324 0.300 . 1 . . . . 30 ILE CA . 11352 1 303 . 1 1 30 30 ILE CB C 13 42.381 0.300 . 1 . . . . 30 ILE CB . 11352 1 304 . 1 1 30 30 ILE CD1 C 13 14.956 0.300 . 1 . . . . 30 ILE CD1 . 11352 1 305 . 1 1 30 30 ILE CG1 C 13 28.721 0.300 . 1 . . . . 30 ILE CG1 . 11352 1 306 . 1 1 30 30 ILE CG2 C 13 14.921 0.300 . 1 . . . . 30 ILE CG2 . 11352 1 307 . 1 1 30 30 ILE N N 15 121.932 0.300 . 1 . . . . 30 ILE N . 11352 1 308 . 1 1 31 31 GLY H H 1 8.376 0.030 . 1 . . . . 31 GLY H . 11352 1 309 . 1 1 31 31 GLY HA2 H 1 4.757 0.030 . 2 . . . . 31 GLY HA2 . 11352 1 310 . 1 1 31 31 GLY HA3 H 1 2.593 0.030 . 2 . . . . 31 GLY HA3 . 11352 1 311 . 1 1 31 31 GLY C C 13 172.751 0.300 . 1 . . . . 31 GLY C . 11352 1 312 . 1 1 31 31 GLY CA C 13 43.244 0.300 . 1 . . . . 31 GLY CA . 11352 1 313 . 1 1 31 31 GLY N N 15 116.293 0.300 . 1 . . . . 31 GLY N . 11352 1 314 . 1 1 32 32 CYS H H 1 8.339 0.030 . 1 . . . . 32 CYS H . 11352 1 315 . 1 1 32 32 CYS HA H 1 4.532 0.030 . 1 . . . . 32 CYS HA . 11352 1 316 . 1 1 32 32 CYS HB2 H 1 3.134 0.030 . 2 . . . . 32 CYS HB2 . 11352 1 317 . 1 1 32 32 CYS HB3 H 1 3.065 0.030 . 2 . . . . 32 CYS HB3 . 11352 1 318 . 1 1 32 32 CYS C C 13 176.814 0.300 . 1 . . . . 32 CYS C . 11352 1 319 . 1 1 32 32 CYS CA C 13 60.206 0.300 . 1 . . . . 32 CYS CA . 11352 1 320 . 1 1 32 32 CYS CB C 13 32.464 0.300 . 1 . . . . 32 CYS CB . 11352 1 321 . 1 1 32 32 CYS N N 15 125.827 0.300 . 1 . . . . 32 CYS N . 11352 1 322 . 1 1 33 33 ASP H H 1 8.943 0.030 . 1 . . . . 33 ASP H . 11352 1 323 . 1 1 33 33 ASP HA H 1 4.670 0.030 . 1 . . . . 33 ASP HA . 11352 1 324 . 1 1 33 33 ASP HB2 H 1 2.518 0.030 . 2 . . . . 33 ASP HB2 . 11352 1 325 . 1 1 33 33 ASP HB3 H 1 1.776 0.030 . 2 . . . . 33 ASP HB3 . 11352 1 326 . 1 1 33 33 ASP C C 13 176.303 0.300 . 1 . . . . 33 ASP C . 11352 1 327 . 1 1 33 33 ASP CA C 13 56.865 0.300 . 1 . . . . 33 ASP CA . 11352 1 328 . 1 1 33 33 ASP CB C 13 40.667 0.300 . 1 . . . . 33 ASP CB . 11352 1 329 . 1 1 33 33 ASP N N 15 126.721 0.300 . 1 . . . . 33 ASP N . 11352 1 330 . 1 1 34 34 ASN H H 1 8.830 0.030 . 1 . . . . 34 ASN H . 11352 1 331 . 1 1 34 34 ASN HA H 1 4.982 0.030 . 1 . . . . 34 ASN HA . 11352 1 332 . 1 1 34 34 ASN HB2 H 1 3.964 0.030 . 2 . . . . 34 ASN HB2 . 11352 1 333 . 1 1 34 34 ASN HB3 H 1 2.732 0.030 . 2 . . . . 34 ASN HB3 . 11352 1 334 . 1 1 34 34 ASN HD21 H 1 9.307 0.030 . 2 . . . . 34 ASN HD21 . 11352 1 335 . 1 1 34 34 ASN HD22 H 1 6.988 0.030 . 2 . . . . 34 ASN HD22 . 11352 1 336 . 1 1 34 34 ASN C C 13 176.374 0.300 . 1 . . . . 34 ASN C . 11352 1 337 . 1 1 34 34 ASN CA C 13 53.080 0.300 . 1 . . . . 34 ASN CA . 11352 1 338 . 1 1 34 34 ASN CB C 13 37.772 0.300 . 1 . . . . 34 ASN CB . 11352 1 339 . 1 1 34 34 ASN N N 15 121.709 0.300 . 1 . . . . 34 ASN N . 11352 1 340 . 1 1 34 34 ASN ND2 N 15 116.537 0.300 . 1 . . . . 34 ASN ND2 . 11352 1 341 . 1 1 35 35 GLU H H 1 9.482 0.030 . 1 . . . . 35 GLU H . 11352 1 342 . 1 1 35 35 GLU HA H 1 4.114 0.030 . 1 . . . . 35 GLU HA . 11352 1 343 . 1 1 35 35 GLU HB2 H 1 2.102 0.030 . 1 . . . . 35 GLU HB2 . 11352 1 344 . 1 1 35 35 GLU HB3 H 1 2.102 0.030 . 1 . . . . 35 GLU HB3 . 11352 1 345 . 1 1 35 35 GLU HG2 H 1 2.379 0.030 . 1 . . . . 35 GLU HG2 . 11352 1 346 . 1 1 35 35 GLU HG3 H 1 2.379 0.030 . 1 . . . . 35 GLU HG3 . 11352 1 347 . 1 1 35 35 GLU C C 13 177.072 0.300 . 1 . . . . 35 GLU C . 11352 1 348 . 1 1 35 35 GLU CA C 13 59.085 0.300 . 1 . . . . 35 GLU CA . 11352 1 349 . 1 1 35 35 GLU CB C 13 29.182 0.300 . 1 . . . . 35 GLU CB . 11352 1 350 . 1 1 35 35 GLU CG C 13 36.518 0.300 . 1 . . . . 35 GLU CG . 11352 1 351 . 1 1 35 35 GLU N N 15 130.706 0.300 . 1 . . . . 35 GLU N . 11352 1 352 . 1 1 36 36 GLN H H 1 7.500 0.030 . 1 . . . . 36 GLN H . 11352 1 353 . 1 1 36 36 GLN HA H 1 4.452 0.030 . 1 . . . . 36 GLN HA . 11352 1 354 . 1 1 36 36 GLN HB2 H 1 2.384 0.030 . 2 . . . . 36 GLN HB2 . 11352 1 355 . 1 1 36 36 GLN HB3 H 1 1.832 0.030 . 2 . . . . 36 GLN HB3 . 11352 1 356 . 1 1 36 36 GLN HE21 H 1 7.614 0.030 . 2 . . . . 36 GLN HE21 . 11352 1 357 . 1 1 36 36 GLN HE22 H 1 6.843 0.030 . 2 . . . . 36 GLN HE22 . 11352 1 358 . 1 1 36 36 GLN HG2 H 1 2.329 0.030 . 1 . . . . 36 GLN HG2 . 11352 1 359 . 1 1 36 36 GLN HG3 H 1 2.329 0.030 . 1 . . . . 36 GLN HG3 . 11352 1 360 . 1 1 36 36 GLN C C 13 174.794 0.300 . 1 . . . . 36 GLN C . 11352 1 361 . 1 1 36 36 GLN CA C 13 54.507 0.300 . 1 . . . . 36 GLN CA . 11352 1 362 . 1 1 36 36 GLN CB C 13 28.085 0.300 . 1 . . . . 36 GLN CB . 11352 1 363 . 1 1 36 36 GLN CG C 13 34.347 0.300 . 1 . . . . 36 GLN CG . 11352 1 364 . 1 1 36 36 GLN N N 15 114.949 0.300 . 1 . . . . 36 GLN N . 11352 1 365 . 1 1 36 36 GLN NE2 N 15 112.639 0.300 . 1 . . . . 36 GLN NE2 . 11352 1 366 . 1 1 37 37 CYS H H 1 7.628 0.030 . 1 . . . . 37 CYS H . 11352 1 367 . 1 1 37 37 CYS HA H 1 4.107 0.030 . 1 . . . . 37 CYS HA . 11352 1 368 . 1 1 37 37 CYS HB2 H 1 3.485 0.030 . 2 . . . . 37 CYS HB2 . 11352 1 369 . 1 1 37 37 CYS HB3 H 1 2.827 0.030 . 2 . . . . 37 CYS HB3 . 11352 1 370 . 1 1 37 37 CYS C C 13 176.207 0.300 . 1 . . . . 37 CYS C . 11352 1 371 . 1 1 37 37 CYS CA C 13 59.169 0.300 . 1 . . . . 37 CYS CA . 11352 1 372 . 1 1 37 37 CYS CB C 13 31.075 0.300 . 1 . . . . 37 CYS CB . 11352 1 373 . 1 1 37 37 CYS N N 15 126.364 0.300 . 1 . . . . 37 CYS N . 11352 1 374 . 1 1 38 38 PRO HA H 1 4.542 0.030 . 1 . . . . 38 PRO HA . 11352 1 375 . 1 1 38 38 PRO HB2 H 1 2.327 0.030 . 2 . . . . 38 PRO HB2 . 11352 1 376 . 1 1 38 38 PRO HB3 H 1 2.040 0.030 . 2 . . . . 38 PRO HB3 . 11352 1 377 . 1 1 38 38 PRO HD2 H 1 4.369 0.030 . 2 . . . . 38 PRO HD2 . 11352 1 378 . 1 1 38 38 PRO HD3 H 1 3.685 0.030 . 2 . . . . 38 PRO HD3 . 11352 1 379 . 1 1 38 38 PRO HG2 H 1 2.103 0.030 . 2 . . . . 38 PRO HG2 . 11352 1 380 . 1 1 38 38 PRO HG3 H 1 1.897 0.030 . 2 . . . . 38 PRO HG3 . 11352 1 381 . 1 1 38 38 PRO C C 13 176.634 0.300 . 1 . . . . 38 PRO C . 11352 1 382 . 1 1 38 38 PRO CA C 13 63.888 0.300 . 1 . . . . 38 PRO CA . 11352 1 383 . 1 1 38 38 PRO CB C 13 32.428 0.300 . 1 . . . . 38 PRO CB . 11352 1 384 . 1 1 38 38 PRO CD C 13 51.590 0.300 . 1 . . . . 38 PRO CD . 11352 1 385 . 1 1 38 38 PRO CG C 13 26.747 0.300 . 1 . . . . 38 PRO CG . 11352 1 386 . 1 1 39 39 ILE H H 1 8.570 0.030 . 1 . . . . 39 ILE H . 11352 1 387 . 1 1 39 39 ILE HA H 1 4.143 0.030 . 1 . . . . 39 ILE HA . 11352 1 388 . 1 1 39 39 ILE HB H 1 1.718 0.030 . 1 . . . . 39 ILE HB . 11352 1 389 . 1 1 39 39 ILE HD11 H 1 0.928 0.030 . 1 . . . . 39 ILE HD1 . 11352 1 390 . 1 1 39 39 ILE HD12 H 1 0.928 0.030 . 1 . . . . 39 ILE HD1 . 11352 1 391 . 1 1 39 39 ILE HD13 H 1 0.928 0.030 . 1 . . . . 39 ILE HD1 . 11352 1 392 . 1 1 39 39 ILE HG12 H 1 1.487 0.030 . 2 . . . . 39 ILE HG12 . 11352 1 393 . 1 1 39 39 ILE HG13 H 1 1.060 0.030 . 2 . . . . 39 ILE HG13 . 11352 1 394 . 1 1 39 39 ILE HG21 H 1 0.314 0.030 . 1 . . . . 39 ILE HG2 . 11352 1 395 . 1 1 39 39 ILE HG22 H 1 0.314 0.030 . 1 . . . . 39 ILE HG2 . 11352 1 396 . 1 1 39 39 ILE HG23 H 1 0.314 0.030 . 1 . . . . 39 ILE HG2 . 11352 1 397 . 1 1 39 39 ILE C C 13 177.307 0.300 . 1 . . . . 39 ILE C . 11352 1 398 . 1 1 39 39 ILE CA C 13 62.975 0.300 . 1 . . . . 39 ILE CA . 11352 1 399 . 1 1 39 39 ILE CB C 13 40.692 0.300 . 1 . . . . 39 ILE CB . 11352 1 400 . 1 1 39 39 ILE CD1 C 13 13.323 0.300 . 1 . . . . 39 ILE CD1 . 11352 1 401 . 1 1 39 39 ILE CG1 C 13 28.644 0.300 . 1 . . . . 39 ILE CG1 . 11352 1 402 . 1 1 39 39 ILE CG2 C 13 18.456 0.300 . 1 . . . . 39 ILE CG2 . 11352 1 403 . 1 1 39 39 ILE N N 15 124.059 0.300 . 1 . . . . 39 ILE N . 11352 1 404 . 1 1 40 40 GLU H H 1 9.586 0.030 . 1 . . . . 40 GLU H . 11352 1 405 . 1 1 40 40 GLU HA H 1 3.777 0.030 . 1 . . . . 40 GLU HA . 11352 1 406 . 1 1 40 40 GLU HB2 H 1 2.412 0.030 . 2 . . . . 40 GLU HB2 . 11352 1 407 . 1 1 40 40 GLU HB3 H 1 1.959 0.030 . 2 . . . . 40 GLU HB3 . 11352 1 408 . 1 1 40 40 GLU HG2 H 1 1.929 0.030 . 2 . . . . 40 GLU HG2 . 11352 1 409 . 1 1 40 40 GLU HG3 H 1 1.710 0.030 . 2 . . . . 40 GLU HG3 . 11352 1 410 . 1 1 40 40 GLU C C 13 176.074 0.300 . 1 . . . . 40 GLU C . 11352 1 411 . 1 1 40 40 GLU CA C 13 62.820 0.300 . 1 . . . . 40 GLU CA . 11352 1 412 . 1 1 40 40 GLU CB C 13 29.808 0.300 . 1 . . . . 40 GLU CB . 11352 1 413 . 1 1 40 40 GLU CG C 13 36.650 0.300 . 1 . . . . 40 GLU CG . 11352 1 414 . 1 1 40 40 GLU N N 15 120.289 0.300 . 1 . . . . 40 GLU N . 11352 1 415 . 1 1 41 41 TRP H H 1 7.808 0.030 . 1 . . . . 41 TRP H . 11352 1 416 . 1 1 41 41 TRP HA H 1 5.357 0.030 . 1 . . . . 41 TRP HA . 11352 1 417 . 1 1 41 41 TRP HB2 H 1 2.617 0.030 . 2 . . . . 41 TRP HB2 . 11352 1 418 . 1 1 41 41 TRP HB3 H 1 2.406 0.030 . 2 . . . . 41 TRP HB3 . 11352 1 419 . 1 1 41 41 TRP HD1 H 1 6.904 0.030 . 1 . . . . 41 TRP HD1 . 11352 1 420 . 1 1 41 41 TRP HE1 H 1 9.932 0.030 . 1 . . . . 41 TRP HE1 . 11352 1 421 . 1 1 41 41 TRP HE3 H 1 7.022 0.030 . 1 . . . . 41 TRP HE3 . 11352 1 422 . 1 1 41 41 TRP HH2 H 1 7.149 0.030 . 1 . . . . 41 TRP HH2 . 11352 1 423 . 1 1 41 41 TRP HZ2 H 1 7.405 0.030 . 1 . . . . 41 TRP HZ2 . 11352 1 424 . 1 1 41 41 TRP HZ3 H 1 6.857 0.030 . 1 . . . . 41 TRP HZ3 . 11352 1 425 . 1 1 41 41 TRP C C 13 174.805 0.300 . 1 . . . . 41 TRP C . 11352 1 426 . 1 1 41 41 TRP CA C 13 55.947 0.300 . 1 . . . . 41 TRP CA . 11352 1 427 . 1 1 41 41 TRP CB C 13 33.202 0.300 . 1 . . . . 41 TRP CB . 11352 1 428 . 1 1 41 41 TRP CD1 C 13 127.232 0.300 . 1 . . . . 41 TRP CD1 . 11352 1 429 . 1 1 41 41 TRP CE3 C 13 119.585 0.300 . 1 . . . . 41 TRP CE3 . 11352 1 430 . 1 1 41 41 TRP CH2 C 13 124.616 0.300 . 1 . . . . 41 TRP CH2 . 11352 1 431 . 1 1 41 41 TRP CZ2 C 13 114.621 0.300 . 1 . . . . 41 TRP CZ2 . 11352 1 432 . 1 1 41 41 TRP CZ3 C 13 121.866 0.300 . 1 . . . . 41 TRP CZ3 . 11352 1 433 . 1 1 41 41 TRP N N 15 119.883 0.300 . 1 . . . . 41 TRP N . 11352 1 434 . 1 1 41 41 TRP NE1 N 15 128.586 0.300 . 1 . . . . 41 TRP NE1 . 11352 1 435 . 1 1 42 42 PHE H H 1 9.184 0.030 . 1 . . . . 42 PHE H . 11352 1 436 . 1 1 42 42 PHE HA H 1 4.832 0.030 . 1 . . . . 42 PHE HA . 11352 1 437 . 1 1 42 42 PHE HB2 H 1 3.215 0.030 . 2 . . . . 42 PHE HB2 . 11352 1 438 . 1 1 42 42 PHE HB3 H 1 2.809 0.030 . 2 . . . . 42 PHE HB3 . 11352 1 439 . 1 1 42 42 PHE HD1 H 1 7.657 0.030 . 1 . . . . 42 PHE HD1 . 11352 1 440 . 1 1 42 42 PHE HD2 H 1 7.657 0.030 . 1 . . . . 42 PHE HD2 . 11352 1 441 . 1 1 42 42 PHE HE1 H 1 7.247 0.030 . 1 . . . . 42 PHE HE1 . 11352 1 442 . 1 1 42 42 PHE HE2 H 1 7.247 0.030 . 1 . . . . 42 PHE HE2 . 11352 1 443 . 1 1 42 42 PHE HZ H 1 8.001 0.030 . 1 . . . . 42 PHE HZ . 11352 1 444 . 1 1 42 42 PHE C C 13 176.004 0.300 . 1 . . . . 42 PHE C . 11352 1 445 . 1 1 42 42 PHE CA C 13 56.126 0.300 . 1 . . . . 42 PHE CA . 11352 1 446 . 1 1 42 42 PHE CB C 13 42.628 0.300 . 1 . . . . 42 PHE CB . 11352 1 447 . 1 1 42 42 PHE CD1 C 13 132.770 0.300 . 1 . . . . 42 PHE CD1 . 11352 1 448 . 1 1 42 42 PHE CD2 C 13 132.770 0.300 . 1 . . . . 42 PHE CD2 . 11352 1 449 . 1 1 42 42 PHE CE1 C 13 131.648 0.300 . 1 . . . . 42 PHE CE1 . 11352 1 450 . 1 1 42 42 PHE CE2 C 13 131.648 0.300 . 1 . . . . 42 PHE CE2 . 11352 1 451 . 1 1 42 42 PHE CZ C 13 132.030 0.300 . 1 . . . . 42 PHE CZ . 11352 1 452 . 1 1 42 42 PHE N N 15 117.018 0.300 . 1 . . . . 42 PHE N . 11352 1 453 . 1 1 43 43 HIS H H 1 9.423 0.030 . 1 . . . . 43 HIS H . 11352 1 454 . 1 1 43 43 HIS HA H 1 4.999 0.030 . 1 . . . . 43 HIS HA . 11352 1 455 . 1 1 43 43 HIS HB2 H 1 3.946 0.030 . 2 . . . . 43 HIS HB2 . 11352 1 456 . 1 1 43 43 HIS HB3 H 1 3.616 0.030 . 2 . . . . 43 HIS HB3 . 11352 1 457 . 1 1 43 43 HIS HD2 H 1 6.911 0.030 . 1 . . . . 43 HIS HD2 . 11352 1 458 . 1 1 43 43 HIS HE1 H 1 7.415 0.030 . 1 . . . . 43 HIS HE1 . 11352 1 459 . 1 1 43 43 HIS C C 13 178.041 0.300 . 1 . . . . 43 HIS C . 11352 1 460 . 1 1 43 43 HIS CA C 13 57.957 0.300 . 1 . . . . 43 HIS CA . 11352 1 461 . 1 1 43 43 HIS CB C 13 30.769 0.300 . 1 . . . . 43 HIS CB . 11352 1 462 . 1 1 43 43 HIS CD2 C 13 119.048 0.300 . 1 . . . . 43 HIS CD2 . 11352 1 463 . 1 1 43 43 HIS CE1 C 13 137.697 0.300 . 1 . . . . 43 HIS CE1 . 11352 1 464 . 1 1 43 43 HIS N N 15 122.955 0.300 . 1 . . . . 43 HIS N . 11352 1 465 . 1 1 44 44 PHE H H 1 8.478 0.030 . 1 . . . . 44 PHE H . 11352 1 466 . 1 1 44 44 PHE HA H 1 3.935 0.030 . 1 . . . . 44 PHE HA . 11352 1 467 . 1 1 44 44 PHE HB2 H 1 3.337 0.030 . 2 . . . . 44 PHE HB2 . 11352 1 468 . 1 1 44 44 PHE HB3 H 1 3.095 0.030 . 2 . . . . 44 PHE HB3 . 11352 1 469 . 1 1 44 44 PHE HD1 H 1 6.657 0.030 . 1 . . . . 44 PHE HD1 . 11352 1 470 . 1 1 44 44 PHE HD2 H 1 6.657 0.030 . 1 . . . . 44 PHE HD2 . 11352 1 471 . 1 1 44 44 PHE HE1 H 1 6.868 0.030 . 1 . . . . 44 PHE HE1 . 11352 1 472 . 1 1 44 44 PHE HE2 H 1 6.868 0.030 . 1 . . . . 44 PHE HE2 . 11352 1 473 . 1 1 44 44 PHE HZ H 1 6.914 0.030 . 1 . . . . 44 PHE HZ . 11352 1 474 . 1 1 44 44 PHE C C 13 178.743 0.300 . 1 . . . . 44 PHE C . 11352 1 475 . 1 1 44 44 PHE CA C 13 60.780 0.300 . 1 . . . . 44 PHE CA . 11352 1 476 . 1 1 44 44 PHE CB C 13 37.745 0.300 . 1 . . . . 44 PHE CB . 11352 1 477 . 1 1 44 44 PHE CD1 C 13 129.312 0.300 . 1 . . . . 44 PHE CD1 . 11352 1 478 . 1 1 44 44 PHE CD2 C 13 129.312 0.300 . 1 . . . . 44 PHE CD2 . 11352 1 479 . 1 1 44 44 PHE CE1 C 13 131.056 0.300 . 1 . . . . 44 PHE CE1 . 11352 1 480 . 1 1 44 44 PHE CE2 C 13 131.056 0.300 . 1 . . . . 44 PHE CE2 . 11352 1 481 . 1 1 44 44 PHE CZ C 13 128.373 0.300 . 1 . . . . 44 PHE CZ . 11352 1 482 . 1 1 44 44 PHE N N 15 124.293 0.300 . 1 . . . . 44 PHE N . 11352 1 483 . 1 1 45 45 SER H H 1 8.983 0.030 . 1 . . . . 45 SER H . 11352 1 484 . 1 1 45 45 SER HA H 1 4.334 0.030 . 1 . . . . 45 SER HA . 11352 1 485 . 1 1 45 45 SER HB2 H 1 4.099 0.030 . 2 . . . . 45 SER HB2 . 11352 1 486 . 1 1 45 45 SER HB3 H 1 4.060 0.030 . 2 . . . . 45 SER HB3 . 11352 1 487 . 1 1 45 45 SER C C 13 178.481 0.300 . 1 . . . . 45 SER C . 11352 1 488 . 1 1 45 45 SER CA C 13 61.372 0.300 . 1 . . . . 45 SER CA . 11352 1 489 . 1 1 45 45 SER CB C 13 62.288 0.300 . 1 . . . . 45 SER CB . 11352 1 490 . 1 1 45 45 SER N N 15 109.760 0.300 . 1 . . . . 45 SER N . 11352 1 491 . 1 1 46 46 CYS H H 1 7.402 0.030 . 1 . . . . 46 CYS H . 11352 1 492 . 1 1 46 46 CYS HA H 1 4.316 0.030 . 1 . . . . 46 CYS HA . 11352 1 493 . 1 1 46 46 CYS HB2 H 1 3.355 0.030 . 2 . . . . 46 CYS HB2 . 11352 1 494 . 1 1 46 46 CYS HB3 H 1 3.276 0.030 . 2 . . . . 46 CYS HB3 . 11352 1 495 . 1 1 46 46 CYS C C 13 176.861 0.300 . 1 . . . . 46 CYS C . 11352 1 496 . 1 1 46 46 CYS CA C 13 62.593 0.300 . 1 . . . . 46 CYS CA . 11352 1 497 . 1 1 46 46 CYS CB C 13 30.455 0.300 . 1 . . . . 46 CYS CB . 11352 1 498 . 1 1 46 46 CYS N N 15 121.851 0.300 . 1 . . . . 46 CYS N . 11352 1 499 . 1 1 47 47 VAL H H 1 7.383 0.030 . 1 . . . . 47 VAL H . 11352 1 500 . 1 1 47 47 VAL HA H 1 4.746 0.030 . 1 . . . . 47 VAL HA . 11352 1 501 . 1 1 47 47 VAL HB H 1 2.710 0.030 . 1 . . . . 47 VAL HB . 11352 1 502 . 1 1 47 47 VAL HG11 H 1 0.986 0.030 . 1 . . . . 47 VAL HG1 . 11352 1 503 . 1 1 47 47 VAL HG12 H 1 0.986 0.030 . 1 . . . . 47 VAL HG1 . 11352 1 504 . 1 1 47 47 VAL HG13 H 1 0.986 0.030 . 1 . . . . 47 VAL HG1 . 11352 1 505 . 1 1 47 47 VAL HG21 H 1 0.797 0.030 . 1 . . . . 47 VAL HG2 . 11352 1 506 . 1 1 47 47 VAL HG22 H 1 0.797 0.030 . 1 . . . . 47 VAL HG2 . 11352 1 507 . 1 1 47 47 VAL HG23 H 1 0.797 0.030 . 1 . . . . 47 VAL HG2 . 11352 1 508 . 1 1 47 47 VAL C C 13 174.219 0.300 . 1 . . . . 47 VAL C . 11352 1 509 . 1 1 47 47 VAL CA C 13 59.902 0.300 . 1 . . . . 47 VAL CA . 11352 1 510 . 1 1 47 47 VAL CB C 13 31.139 0.300 . 1 . . . . 47 VAL CB . 11352 1 511 . 1 1 47 47 VAL CG1 C 13 22.653 0.300 . 2 . . . . 47 VAL CG1 . 11352 1 512 . 1 1 47 47 VAL CG2 C 13 17.864 0.300 . 2 . . . . 47 VAL CG2 . 11352 1 513 . 1 1 47 47 VAL N N 15 107.748 0.300 . 1 . . . . 47 VAL N . 11352 1 514 . 1 1 48 48 SER H H 1 7.714 0.030 . 1 . . . . 48 SER H . 11352 1 515 . 1 1 48 48 SER HA H 1 4.007 0.030 . 1 . . . . 48 SER HA . 11352 1 516 . 1 1 48 48 SER HB2 H 1 4.104 0.030 . 2 . . . . 48 SER HB2 . 11352 1 517 . 1 1 48 48 SER HB3 H 1 4.016 0.030 . 2 . . . . 48 SER HB3 . 11352 1 518 . 1 1 48 48 SER C C 13 173.767 0.300 . 1 . . . . 48 SER C . 11352 1 519 . 1 1 48 48 SER CA C 13 59.085 0.300 . 1 . . . . 48 SER CA . 11352 1 520 . 1 1 48 48 SER CB C 13 61.045 0.300 . 1 . . . . 48 SER CB . 11352 1 521 . 1 1 48 48 SER N N 15 111.948 0.300 . 1 . . . . 48 SER N . 11352 1 522 . 1 1 49 49 LEU H H 1 7.957 0.030 . 1 . . . . 49 LEU H . 11352 1 523 . 1 1 49 49 LEU HA H 1 4.552 0.030 . 1 . . . . 49 LEU HA . 11352 1 524 . 1 1 49 49 LEU HB2 H 1 0.850 0.030 . 2 . . . . 49 LEU HB2 . 11352 1 525 . 1 1 49 49 LEU HB3 H 1 0.538 0.030 . 2 . . . . 49 LEU HB3 . 11352 1 526 . 1 1 49 49 LEU HD11 H 1 -0.280 0.030 . 1 . . . . 49 LEU HD1 . 11352 1 527 . 1 1 49 49 LEU HD12 H 1 -0.280 0.030 . 1 . . . . 49 LEU HD1 . 11352 1 528 . 1 1 49 49 LEU HD13 H 1 -0.280 0.030 . 1 . . . . 49 LEU HD1 . 11352 1 529 . 1 1 49 49 LEU HD21 H 1 0.519 0.030 . 1 . . . . 49 LEU HD2 . 11352 1 530 . 1 1 49 49 LEU HD22 H 1 0.519 0.030 . 1 . . . . 49 LEU HD2 . 11352 1 531 . 1 1 49 49 LEU HD23 H 1 0.519 0.030 . 1 . . . . 49 LEU HD2 . 11352 1 532 . 1 1 49 49 LEU HG H 1 1.243 0.030 . 1 . . . . 49 LEU HG . 11352 1 533 . 1 1 49 49 LEU C C 13 177.007 0.300 . 1 . . . . 49 LEU C . 11352 1 534 . 1 1 49 49 LEU CA C 13 53.430 0.300 . 1 . . . . 49 LEU CA . 11352 1 535 . 1 1 49 49 LEU CB C 13 44.226 0.300 . 1 . . . . 49 LEU CB . 11352 1 536 . 1 1 49 49 LEU CD1 C 13 25.562 0.300 . 2 . . . . 49 LEU CD1 . 11352 1 537 . 1 1 49 49 LEU CD2 C 13 22.745 0.300 . 2 . . . . 49 LEU CD2 . 11352 1 538 . 1 1 49 49 LEU CG C 13 25.825 0.300 . 1 . . . . 49 LEU CG . 11352 1 539 . 1 1 49 49 LEU N N 15 119.159 0.300 . 1 . . . . 49 LEU N . 11352 1 540 . 1 1 50 50 THR H H 1 8.460 0.030 . 1 . . . . 50 THR H . 11352 1 541 . 1 1 50 50 THR HA H 1 4.314 0.030 . 1 . . . . 50 THR HA . 11352 1 542 . 1 1 50 50 THR HB H 1 4.111 0.030 . 1 . . . . 50 THR HB . 11352 1 543 . 1 1 50 50 THR HG21 H 1 0.964 0.030 . 1 . . . . 50 THR HG2 . 11352 1 544 . 1 1 50 50 THR HG22 H 1 0.964 0.030 . 1 . . . . 50 THR HG2 . 11352 1 545 . 1 1 50 50 THR HG23 H 1 0.964 0.030 . 1 . . . . 50 THR HG2 . 11352 1 546 . 1 1 50 50 THR C C 13 173.385 0.300 . 1 . . . . 50 THR C . 11352 1 547 . 1 1 50 50 THR CA C 13 62.205 0.300 . 1 . . . . 50 THR CA . 11352 1 548 . 1 1 50 50 THR CB C 13 69.762 0.300 . 1 . . . . 50 THR CB . 11352 1 549 . 1 1 50 50 THR CG2 C 13 21.614 0.300 . 1 . . . . 50 THR CG2 . 11352 1 550 . 1 1 50 50 THR N N 15 112.073 0.300 . 1 . . . . 50 THR N . 11352 1 551 . 1 1 51 51 TYR H H 1 7.342 0.030 . 1 . . . . 51 TYR H . 11352 1 552 . 1 1 51 51 TYR HA H 1 4.714 0.030 . 1 . . . . 51 TYR HA . 11352 1 553 . 1 1 51 51 TYR HB2 H 1 3.089 0.030 . 2 . . . . 51 TYR HB2 . 11352 1 554 . 1 1 51 51 TYR HB3 H 1 2.736 0.030 . 2 . . . . 51 TYR HB3 . 11352 1 555 . 1 1 51 51 TYR HD1 H 1 7.020 0.030 . 1 . . . . 51 TYR HD1 . 11352 1 556 . 1 1 51 51 TYR HD2 H 1 7.020 0.030 . 1 . . . . 51 TYR HD2 . 11352 1 557 . 1 1 51 51 TYR HE1 H 1 6.782 0.030 . 1 . . . . 51 TYR HE1 . 11352 1 558 . 1 1 51 51 TYR HE2 H 1 6.782 0.030 . 1 . . . . 51 TYR HE2 . 11352 1 559 . 1 1 51 51 TYR C C 13 173.579 0.300 . 1 . . . . 51 TYR C . 11352 1 560 . 1 1 51 51 TYR CA C 13 55.839 0.300 . 1 . . . . 51 TYR CA . 11352 1 561 . 1 1 51 51 TYR CB C 13 40.260 0.300 . 1 . . . . 51 TYR CB . 11352 1 562 . 1 1 51 51 TYR CD1 C 13 134.142 0.300 . 1 . . . . 51 TYR CD1 . 11352 1 563 . 1 1 51 51 TYR CD2 C 13 134.142 0.300 . 1 . . . . 51 TYR CD2 . 11352 1 564 . 1 1 51 51 TYR CE1 C 13 117.975 0.300 . 1 . . . . 51 TYR CE1 . 11352 1 565 . 1 1 51 51 TYR CE2 C 13 117.975 0.300 . 1 . . . . 51 TYR CE2 . 11352 1 566 . 1 1 51 51 TYR N N 15 118.788 0.300 . 1 . . . . 51 TYR N . 11352 1 567 . 1 1 52 52 LYS H H 1 8.832 0.030 . 1 . . . . 52 LYS H . 11352 1 568 . 1 1 52 52 LYS HA H 1 4.055 0.030 . 1 . . . . 52 LYS HA . 11352 1 569 . 1 1 52 52 LYS HB2 H 1 1.871 0.030 . 1 . . . . 52 LYS HB2 . 11352 1 570 . 1 1 52 52 LYS HB3 H 1 1.871 0.030 . 1 . . . . 52 LYS HB3 . 11352 1 571 . 1 1 52 52 LYS HD2 H 1 1.758 0.030 . 1 . . . . 52 LYS HD2 . 11352 1 572 . 1 1 52 52 LYS HD3 H 1 1.758 0.030 . 1 . . . . 52 LYS HD3 . 11352 1 573 . 1 1 52 52 LYS HE2 H 1 3.088 0.030 . 1 . . . . 52 LYS HE2 . 11352 1 574 . 1 1 52 52 LYS HE3 H 1 3.088 0.030 . 1 . . . . 52 LYS HE3 . 11352 1 575 . 1 1 52 52 LYS HG2 H 1 1.558 0.030 . 2 . . . . 52 LYS HG2 . 11352 1 576 . 1 1 52 52 LYS HG3 H 1 1.388 0.030 . 2 . . . . 52 LYS HG3 . 11352 1 577 . 1 1 52 52 LYS C C 13 174.162 0.300 . 1 . . . . 52 LYS C . 11352 1 578 . 1 1 52 52 LYS CA C 13 54.601 0.300 . 1 . . . . 52 LYS CA . 11352 1 579 . 1 1 52 52 LYS CB C 13 33.078 0.300 . 1 . . . . 52 LYS CB . 11352 1 580 . 1 1 52 52 LYS CD C 13 29.500 0.300 . 1 . . . . 52 LYS CD . 11352 1 581 . 1 1 52 52 LYS CE C 13 42.279 0.300 . 1 . . . . 52 LYS CE . 11352 1 582 . 1 1 52 52 LYS CG C 13 25.000 0.300 . 1 . . . . 52 LYS CG . 11352 1 583 . 1 1 52 52 LYS N N 15 123.734 0.300 . 1 . . . . 52 LYS N . 11352 1 584 . 1 1 53 53 PRO HA H 1 4.430 0.030 . 1 . . . . 53 PRO HA . 11352 1 585 . 1 1 53 53 PRO HB2 H 1 2.293 0.030 . 2 . . . . 53 PRO HB2 . 11352 1 586 . 1 1 53 53 PRO HB3 H 1 1.945 0.030 . 2 . . . . 53 PRO HB3 . 11352 1 587 . 1 1 53 53 PRO HD2 H 1 3.589 0.030 . 2 . . . . 53 PRO HD2 . 11352 1 588 . 1 1 53 53 PRO HD3 H 1 3.311 0.030 . 2 . . . . 53 PRO HD3 . 11352 1 589 . 1 1 53 53 PRO HG2 H 1 1.823 0.030 . 2 . . . . 53 PRO HG2 . 11352 1 590 . 1 1 53 53 PRO HG3 H 1 1.719 0.030 . 2 . . . . 53 PRO HG3 . 11352 1 591 . 1 1 53 53 PRO C C 13 176.246 0.300 . 1 . . . . 53 PRO C . 11352 1 592 . 1 1 53 53 PRO CA C 13 62.800 0.300 . 1 . . . . 53 PRO CA . 11352 1 593 . 1 1 53 53 PRO CB C 13 32.232 0.300 . 1 . . . . 53 PRO CB . 11352 1 594 . 1 1 53 53 PRO CD C 13 50.830 0.300 . 1 . . . . 53 PRO CD . 11352 1 595 . 1 1 53 53 PRO CG C 13 27.279 0.300 . 1 . . . . 53 PRO CG . 11352 1 596 . 1 1 54 54 LYS H H 1 8.577 0.030 . 1 . . . . 54 LYS H . 11352 1 597 . 1 1 54 54 LYS HA H 1 4.318 0.030 . 1 . . . . 54 LYS HA . 11352 1 598 . 1 1 54 54 LYS HB2 H 1 1.848 0.030 . 2 . . . . 54 LYS HB2 . 11352 1 599 . 1 1 54 54 LYS HB3 H 1 1.778 0.030 . 2 . . . . 54 LYS HB3 . 11352 1 600 . 1 1 54 54 LYS HD2 H 1 1.704 0.030 . 1 . . . . 54 LYS HD2 . 11352 1 601 . 1 1 54 54 LYS HD3 H 1 1.704 0.030 . 1 . . . . 54 LYS HD3 . 11352 1 602 . 1 1 54 54 LYS HE2 H 1 2.989 0.030 . 1 . . . . 54 LYS HE2 . 11352 1 603 . 1 1 54 54 LYS HE3 H 1 2.989 0.030 . 1 . . . . 54 LYS HE3 . 11352 1 604 . 1 1 54 54 LYS HG2 H 1 1.534 0.030 . 2 . . . . 54 LYS HG2 . 11352 1 605 . 1 1 54 54 LYS HG3 H 1 1.479 0.030 . 2 . . . . 54 LYS HG3 . 11352 1 606 . 1 1 54 54 LYS C C 13 177.325 0.300 . 1 . . . . 54 LYS C . 11352 1 607 . 1 1 54 54 LYS CA C 13 56.514 0.300 . 1 . . . . 54 LYS CA . 11352 1 608 . 1 1 54 54 LYS CB C 13 32.690 0.300 . 1 . . . . 54 LYS CB . 11352 1 609 . 1 1 54 54 LYS CD C 13 28.918 0.300 . 1 . . . . 54 LYS CD . 11352 1 610 . 1 1 54 54 LYS CE C 13 42.243 0.300 . 1 . . . . 54 LYS CE . 11352 1 611 . 1 1 54 54 LYS CG C 13 24.970 0.300 . 1 . . . . 54 LYS CG . 11352 1 612 . 1 1 54 54 LYS N N 15 121.076 0.300 . 1 . . . . 54 LYS N . 11352 1 613 . 1 1 55 55 GLY H H 1 8.134 0.030 . 1 . . . . 55 GLY H . 11352 1 614 . 1 1 55 55 GLY HA2 H 1 4.041 0.030 . 2 . . . . 55 GLY HA2 . 11352 1 615 . 1 1 55 55 GLY HA3 H 1 3.965 0.030 . 2 . . . . 55 GLY HA3 . 11352 1 616 . 1 1 55 55 GLY C C 13 173.192 0.300 . 1 . . . . 55 GLY C . 11352 1 617 . 1 1 55 55 GLY CA C 13 44.219 0.300 . 1 . . . . 55 GLY CA . 11352 1 618 . 1 1 55 55 GLY N N 15 110.286 0.300 . 1 . . . . 55 GLY N . 11352 1 619 . 1 1 56 56 LYS H H 1 8.240 0.030 . 1 . . . . 56 LYS H . 11352 1 620 . 1 1 56 56 LYS HA H 1 4.318 0.030 . 1 . . . . 56 LYS HA . 11352 1 621 . 1 1 56 56 LYS HB2 H 1 1.722 0.030 . 2 . . . . 56 LYS HB2 . 11352 1 622 . 1 1 56 56 LYS HB3 H 1 1.391 0.030 . 2 . . . . 56 LYS HB3 . 11352 1 623 . 1 1 56 56 LYS HD2 H 1 1.586 0.030 . 1 . . . . 56 LYS HD2 . 11352 1 624 . 1 1 56 56 LYS HD3 H 1 1.586 0.030 . 1 . . . . 56 LYS HD3 . 11352 1 625 . 1 1 56 56 LYS HE2 H 1 2.978 0.030 . 1 . . . . 56 LYS HE2 . 11352 1 626 . 1 1 56 56 LYS HE3 H 1 2.978 0.030 . 1 . . . . 56 LYS HE3 . 11352 1 627 . 1 1 56 56 LYS HG2 H 1 1.329 0.030 . 1 . . . . 56 LYS HG2 . 11352 1 628 . 1 1 56 56 LYS HG3 H 1 1.329 0.030 . 1 . . . . 56 LYS HG3 . 11352 1 629 . 1 1 56 56 LYS C C 13 176.485 0.300 . 1 . . . . 56 LYS C . 11352 1 630 . 1 1 56 56 LYS CA C 13 56.006 0.300 . 1 . . . . 56 LYS CA . 11352 1 631 . 1 1 56 56 LYS CB C 13 33.760 0.300 . 1 . . . . 56 LYS CB . 11352 1 632 . 1 1 56 56 LYS CD C 13 29.029 0.300 . 1 . . . . 56 LYS CD . 11352 1 633 . 1 1 56 56 LYS CE C 13 42.342 0.300 . 1 . . . . 56 LYS CE . 11352 1 634 . 1 1 56 56 LYS CG C 13 25.324 0.300 . 1 . . . . 56 LYS CG . 11352 1 635 . 1 1 56 56 LYS N N 15 120.144 0.300 . 1 . . . . 56 LYS N . 11352 1 636 . 1 1 57 57 TRP H H 1 9.739 0.030 . 1 . . . . 57 TRP H . 11352 1 637 . 1 1 57 57 TRP HA H 1 4.360 0.030 . 1 . . . . 57 TRP HA . 11352 1 638 . 1 1 57 57 TRP HB2 H 1 3.207 0.030 . 2 . . . . 57 TRP HB2 . 11352 1 639 . 1 1 57 57 TRP HB3 H 1 2.724 0.030 . 2 . . . . 57 TRP HB3 . 11352 1 640 . 1 1 57 57 TRP HD1 H 1 7.176 0.030 . 1 . . . . 57 TRP HD1 . 11352 1 641 . 1 1 57 57 TRP HE1 H 1 9.881 0.030 . 1 . . . . 57 TRP HE1 . 11352 1 642 . 1 1 57 57 TRP HE3 H 1 7.475 0.030 . 1 . . . . 57 TRP HE3 . 11352 1 643 . 1 1 57 57 TRP HH2 H 1 5.887 0.030 . 1 . . . . 57 TRP HH2 . 11352 1 644 . 1 1 57 57 TRP HZ2 H 1 6.849 0.030 . 1 . . . . 57 TRP HZ2 . 11352 1 645 . 1 1 57 57 TRP HZ3 H 1 6.329 0.030 . 1 . . . . 57 TRP HZ3 . 11352 1 646 . 1 1 57 57 TRP C C 13 172.023 0.300 . 1 . . . . 57 TRP C . 11352 1 647 . 1 1 57 57 TRP CA C 13 58.809 0.300 . 1 . . . . 57 TRP CA . 11352 1 648 . 1 1 57 57 TRP CB C 13 31.247 0.300 . 1 . . . . 57 TRP CB . 11352 1 649 . 1 1 57 57 TRP CD1 C 13 126.092 0.300 . 1 . . . . 57 TRP CD1 . 11352 1 650 . 1 1 57 57 TRP CE3 C 13 123.341 0.300 . 1 . . . . 57 TRP CE3 . 11352 1 651 . 1 1 57 57 TRP CH2 C 13 122.805 0.300 . 1 . . . . 57 TRP CH2 . 11352 1 652 . 1 1 57 57 TRP CZ2 C 13 112.004 0.300 . 1 . . . . 57 TRP CZ2 . 11352 1 653 . 1 1 57 57 TRP CZ3 C 13 120.188 0.300 . 1 . . . . 57 TRP CZ3 . 11352 1 654 . 1 1 57 57 TRP N N 15 126.209 0.300 . 1 . . . . 57 TRP N . 11352 1 655 . 1 1 57 57 TRP NE1 N 15 127.970 0.300 . 1 . . . . 57 TRP NE1 . 11352 1 656 . 1 1 58 58 TYR H H 1 7.168 0.030 . 1 . . . . 58 TYR H . 11352 1 657 . 1 1 58 58 TYR HA H 1 4.960 0.030 . 1 . . . . 58 TYR HA . 11352 1 658 . 1 1 58 58 TYR HB2 H 1 2.316 0.030 . 2 . . . . 58 TYR HB2 . 11352 1 659 . 1 1 58 58 TYR HB3 H 1 2.133 0.030 . 2 . . . . 58 TYR HB3 . 11352 1 660 . 1 1 58 58 TYR HD1 H 1 6.825 0.030 . 1 . . . . 58 TYR HD1 . 11352 1 661 . 1 1 58 58 TYR HD2 H 1 6.825 0.030 . 1 . . . . 58 TYR HD2 . 11352 1 662 . 1 1 58 58 TYR HE1 H 1 6.455 0.030 . 1 . . . . 58 TYR HE1 . 11352 1 663 . 1 1 58 58 TYR HE2 H 1 6.455 0.030 . 1 . . . . 58 TYR HE2 . 11352 1 664 . 1 1 58 58 TYR C C 13 174.377 0.300 . 1 . . . . 58 TYR C . 11352 1 665 . 1 1 58 58 TYR CA C 13 54.377 0.300 . 1 . . . . 58 TYR CA . 11352 1 666 . 1 1 58 58 TYR CB C 13 40.804 0.300 . 1 . . . . 58 TYR CB . 11352 1 667 . 1 1 58 58 TYR CD1 C 13 133.068 0.300 . 1 . . . . 58 TYR CD1 . 11352 1 668 . 1 1 58 58 TYR CD2 C 13 133.068 0.300 . 1 . . . . 58 TYR CD2 . 11352 1 669 . 1 1 58 58 TYR CE1 C 13 117.524 0.300 . 1 . . . . 58 TYR CE1 . 11352 1 670 . 1 1 58 58 TYR CE2 C 13 117.524 0.300 . 1 . . . . 58 TYR CE2 . 11352 1 671 . 1 1 58 58 TYR N N 15 123.812 0.300 . 1 . . . . 58 TYR N . 11352 1 672 . 1 1 59 59 CYS H H 1 9.011 0.030 . 1 . . . . 59 CYS H . 11352 1 673 . 1 1 59 59 CYS HA H 1 3.406 0.030 . 1 . . . . 59 CYS HA . 11352 1 674 . 1 1 59 59 CYS HB2 H 1 2.088 0.030 . 2 . . . . 59 CYS HB2 . 11352 1 675 . 1 1 59 59 CYS HB3 H 1 1.802 0.030 . 2 . . . . 59 CYS HB3 . 11352 1 676 . 1 1 59 59 CYS C C 13 173.022 0.300 . 1 . . . . 59 CYS C . 11352 1 677 . 1 1 59 59 CYS CA C 13 57.619 0.300 . 1 . . . . 59 CYS CA . 11352 1 678 . 1 1 59 59 CYS CB C 13 30.653 0.300 . 1 . . . . 59 CYS CB . 11352 1 679 . 1 1 59 59 CYS N N 15 128.040 0.300 . 1 . . . . 59 CYS N . 11352 1 680 . 1 1 60 60 PRO HA H 1 3.935 0.030 . 1 . . . . 60 PRO HA . 11352 1 681 . 1 1 60 60 PRO HB2 H 1 2.444 0.030 . 2 . . . . 60 PRO HB2 . 11352 1 682 . 1 1 60 60 PRO HB3 H 1 1.807 0.030 . 2 . . . . 60 PRO HB3 . 11352 1 683 . 1 1 60 60 PRO HD2 H 1 3.396 0.030 . 2 . . . . 60 PRO HD2 . 11352 1 684 . 1 1 60 60 PRO HD3 H 1 3.171 0.030 . 2 . . . . 60 PRO HD3 . 11352 1 685 . 1 1 60 60 PRO HG2 H 1 2.154 0.030 . 2 . . . . 60 PRO HG2 . 11352 1 686 . 1 1 60 60 PRO HG3 H 1 1.982 0.030 . 2 . . . . 60 PRO HG3 . 11352 1 687 . 1 1 60 60 PRO C C 13 178.124 0.300 . 1 . . . . 60 PRO C . 11352 1 688 . 1 1 60 60 PRO CA C 13 65.268 0.300 . 1 . . . . 60 PRO CA . 11352 1 689 . 1 1 60 60 PRO CB C 13 32.349 0.300 . 1 . . . . 60 PRO CB . 11352 1 690 . 1 1 60 60 PRO CD C 13 49.987 0.300 . 1 . . . . 60 PRO CD . 11352 1 691 . 1 1 60 60 PRO CG C 13 28.111 0.300 . 1 . . . . 60 PRO CG . 11352 1 692 . 1 1 61 61 LYS H H 1 8.596 0.030 . 1 . . . . 61 LYS H . 11352 1 693 . 1 1 61 61 LYS HA H 1 4.241 0.030 . 1 . . . . 61 LYS HA . 11352 1 694 . 1 1 61 61 LYS HB2 H 1 2.068 0.030 . 2 . . . . 61 LYS HB2 . 11352 1 695 . 1 1 61 61 LYS HB3 H 1 1.945 0.030 . 2 . . . . 61 LYS HB3 . 11352 1 696 . 1 1 61 61 LYS HD2 H 1 1.678 0.030 . 1 . . . . 61 LYS HD2 . 11352 1 697 . 1 1 61 61 LYS HD3 H 1 1.678 0.030 . 1 . . . . 61 LYS HD3 . 11352 1 698 . 1 1 61 61 LYS HE2 H 1 2.978 0.030 . 1 . . . . 61 LYS HE2 . 11352 1 699 . 1 1 61 61 LYS HE3 H 1 2.978 0.030 . 1 . . . . 61 LYS HE3 . 11352 1 700 . 1 1 61 61 LYS HG2 H 1 1.489 0.030 . 1 . . . . 61 LYS HG2 . 11352 1 701 . 1 1 61 61 LYS HG3 H 1 1.489 0.030 . 1 . . . . 61 LYS HG3 . 11352 1 702 . 1 1 61 61 LYS C C 13 178.502 0.300 . 1 . . . . 61 LYS C . 11352 1 703 . 1 1 61 61 LYS CA C 13 57.625 0.300 . 1 . . . . 61 LYS CA . 11352 1 704 . 1 1 61 61 LYS CB C 13 32.367 0.300 . 1 . . . . 61 LYS CB . 11352 1 705 . 1 1 61 61 LYS CD C 13 28.278 0.300 . 1 . . . . 61 LYS CD . 11352 1 706 . 1 1 61 61 LYS CE C 13 42.045 0.300 . 1 . . . . 61 LYS CE . 11352 1 707 . 1 1 61 61 LYS CG C 13 24.773 0.300 . 1 . . . . 61 LYS CG . 11352 1 708 . 1 1 61 61 LYS N N 15 117.413 0.300 . 1 . . . . 61 LYS N . 11352 1 709 . 1 1 62 62 CYS H H 1 8.265 0.030 . 1 . . . . 62 CYS H . 11352 1 710 . 1 1 62 62 CYS HA H 1 4.018 0.030 . 1 . . . . 62 CYS HA . 11352 1 711 . 1 1 62 62 CYS HB2 H 1 3.000 0.030 . 2 . . . . 62 CYS HB2 . 11352 1 712 . 1 1 62 62 CYS HB3 H 1 2.622 0.030 . 2 . . . . 62 CYS HB3 . 11352 1 713 . 1 1 62 62 CYS C C 13 177.137 0.300 . 1 . . . . 62 CYS C . 11352 1 714 . 1 1 62 62 CYS CA C 13 62.175 0.300 . 1 . . . . 62 CYS CA . 11352 1 715 . 1 1 62 62 CYS CB C 13 31.102 0.300 . 1 . . . . 62 CYS CB . 11352 1 716 . 1 1 62 62 CYS N N 15 123.051 0.300 . 1 . . . . 62 CYS N . 11352 1 717 . 1 1 63 63 ARG H H 1 8.097 0.030 . 1 . . . . 63 ARG H . 11352 1 718 . 1 1 63 63 ARG HA H 1 3.896 0.030 . 1 . . . . 63 ARG HA . 11352 1 719 . 1 1 63 63 ARG HB2 H 1 1.714 0.030 . 2 . . . . 63 ARG HB2 . 11352 1 720 . 1 1 63 63 ARG HB3 H 1 1.493 0.030 . 2 . . . . 63 ARG HB3 . 11352 1 721 . 1 1 63 63 ARG HD2 H 1 3.118 0.030 . 2 . . . . 63 ARG HD2 . 11352 1 722 . 1 1 63 63 ARG HD3 H 1 2.946 0.030 . 2 . . . . 63 ARG HD3 . 11352 1 723 . 1 1 63 63 ARG HG2 H 1 1.500 0.030 . 1 . . . . 63 ARG HG2 . 11352 1 724 . 1 1 63 63 ARG HG3 H 1 1.500 0.030 . 1 . . . . 63 ARG HG3 . 11352 1 725 . 1 1 63 63 ARG C C 13 176.297 0.300 . 1 . . . . 63 ARG C . 11352 1 726 . 1 1 63 63 ARG CA C 13 56.814 0.300 . 1 . . . . 63 ARG CA . 11352 1 727 . 1 1 63 63 ARG CB C 13 29.875 0.300 . 1 . . . . 63 ARG CB . 11352 1 728 . 1 1 63 63 ARG CD C 13 43.427 0.300 . 1 . . . . 63 ARG CD . 11352 1 729 . 1 1 63 63 ARG CG C 13 25.365 0.300 . 1 . . . . 63 ARG CG . 11352 1 730 . 1 1 63 63 ARG N N 15 117.108 0.300 . 1 . . . . 63 ARG N . 11352 1 731 . 1 1 64 64 GLY H H 1 7.899 0.030 . 1 . . . . 64 GLY H . 11352 1 732 . 1 1 64 64 GLY HA2 H 1 3.803 0.030 . 1 . . . . 64 GLY HA2 . 11352 1 733 . 1 1 64 64 GLY HA3 H 1 3.803 0.030 . 1 . . . . 64 GLY HA3 . 11352 1 734 . 1 1 64 64 GLY C C 13 173.978 0.300 . 1 . . . . 64 GLY C . 11352 1 735 . 1 1 64 64 GLY CA C 13 45.307 0.300 . 1 . . . . 64 GLY CA . 11352 1 736 . 1 1 64 64 GLY N N 15 108.718 0.300 . 1 . . . . 64 GLY N . 11352 1 737 . 1 1 65 65 ASP H H 1 8.105 0.030 . 1 . . . . 65 ASP H . 11352 1 738 . 1 1 65 65 ASP HA H 1 4.606 0.030 . 1 . . . . 65 ASP HA . 11352 1 739 . 1 1 65 65 ASP HB2 H 1 2.669 0.030 . 2 . . . . 65 ASP HB2 . 11352 1 740 . 1 1 65 65 ASP HB3 H 1 2.587 0.030 . 2 . . . . 65 ASP HB3 . 11352 1 741 . 1 1 65 65 ASP C C 13 176.508 0.300 . 1 . . . . 65 ASP C . 11352 1 742 . 1 1 65 65 ASP CA C 13 54.338 0.300 . 1 . . . . 65 ASP CA . 11352 1 743 . 1 1 65 65 ASP CB C 13 41.277 0.300 . 1 . . . . 65 ASP CB . 11352 1 744 . 1 1 65 65 ASP N N 15 120.148 0.300 . 1 . . . . 65 ASP N . 11352 1 745 . 1 1 66 66 SER H H 1 8.195 0.030 . 1 . . . . 66 SER H . 11352 1 746 . 1 1 66 66 SER HA H 1 4.428 0.030 . 1 . . . . 66 SER HA . 11352 1 747 . 1 1 66 66 SER HB2 H 1 3.756 0.030 . 1 . . . . 66 SER HB2 . 11352 1 748 . 1 1 66 66 SER HB3 H 1 3.756 0.030 . 1 . . . . 66 SER HB3 . 11352 1 749 . 1 1 66 66 SER C C 13 174.577 0.300 . 1 . . . . 66 SER C . 11352 1 750 . 1 1 66 66 SER CA C 13 58.449 0.300 . 1 . . . . 66 SER CA . 11352 1 751 . 1 1 66 66 SER CB C 13 63.815 0.300 . 1 . . . . 66 SER CB . 11352 1 752 . 1 1 66 66 SER N N 15 115.737 0.300 . 1 . . . . 66 SER N . 11352 1 753 . 1 1 67 67 GLY H H 1 8.176 0.030 . 1 . . . . 67 GLY H . 11352 1 754 . 1 1 67 67 GLY HA2 H 1 4.076 0.030 . 1 . . . . 67 GLY HA2 . 11352 1 755 . 1 1 67 67 GLY HA3 H 1 4.076 0.030 . 1 . . . . 67 GLY HA3 . 11352 1 756 . 1 1 67 67 GLY C C 13 171.871 0.300 . 1 . . . . 67 GLY C . 11352 1 757 . 1 1 67 67 GLY CA C 13 44.614 0.300 . 1 . . . . 67 GLY CA . 11352 1 758 . 1 1 67 67 GLY N N 15 110.420 0.300 . 1 . . . . 67 GLY N . 11352 1 759 . 1 1 68 68 PRO HA H 1 4.403 0.030 . 1 . . . . 68 PRO HA . 11352 1 760 . 1 1 68 68 PRO HB2 H 1 2.218 0.030 . 2 . . . . 68 PRO HB2 . 11352 1 761 . 1 1 68 68 PRO HB3 H 1 1.955 0.030 . 2 . . . . 68 PRO HB3 . 11352 1 762 . 1 1 68 68 PRO HD2 H 1 3.616 0.030 . 2 . . . . 68 PRO HD2 . 11352 1 763 . 1 1 68 68 PRO HD3 H 1 3.583 0.030 . 2 . . . . 68 PRO HD3 . 11352 1 764 . 1 1 68 68 PRO HG2 H 1 1.961 0.030 . 1 . . . . 68 PRO HG2 . 11352 1 765 . 1 1 68 68 PRO HG3 H 1 1.961 0.030 . 1 . . . . 68 PRO HG3 . 11352 1 766 . 1 1 68 68 PRO C C 13 177.209 0.300 . 1 . . . . 68 PRO C . 11352 1 767 . 1 1 68 68 PRO CA C 13 63.297 0.300 . 1 . . . . 68 PRO CA . 11352 1 768 . 1 1 68 68 PRO CB C 13 32.134 0.300 . 1 . . . . 68 PRO CB . 11352 1 769 . 1 1 68 68 PRO CD C 13 49.744 0.300 . 1 . . . . 68 PRO CD . 11352 1 770 . 1 1 68 68 PRO CG C 13 27.043 0.300 . 1 . . . . 68 PRO CG . 11352 1 771 . 1 1 69 69 SER H H 1 8.476 0.030 . 1 . . . . 69 SER H . 11352 1 772 . 1 1 69 69 SER HA H 1 4.457 0.030 . 1 . . . . 69 SER HA . 11352 1 773 . 1 1 69 69 SER HB2 H 1 3.879 0.030 . 1 . . . . 69 SER HB2 . 11352 1 774 . 1 1 69 69 SER HB3 H 1 3.879 0.030 . 1 . . . . 69 SER HB3 . 11352 1 775 . 1 1 69 69 SER C C 13 174.524 0.300 . 1 . . . . 69 SER C . 11352 1 776 . 1 1 69 69 SER CA C 13 58.398 0.300 . 1 . . . . 69 SER CA . 11352 1 777 . 1 1 69 69 SER CB C 13 63.865 0.300 . 1 . . . . 69 SER CB . 11352 1 778 . 1 1 69 69 SER N N 15 115.884 0.300 . 1 . . . . 69 SER N . 11352 1 779 . 1 1 70 70 SER H H 1 8.273 0.030 . 1 . . . . 70 SER H . 11352 1 780 . 1 1 70 70 SER HA H 1 4.553 0.030 . 1 . . . . 70 SER HA . 11352 1 781 . 1 1 70 70 SER HB2 H 1 3.896 0.030 . 1 . . . . 70 SER HB2 . 11352 1 782 . 1 1 70 70 SER HB3 H 1 3.896 0.030 . 1 . . . . 70 SER HB3 . 11352 1 783 . 1 1 70 70 SER C C 13 173.739 0.300 . 1 . . . . 70 SER C . 11352 1 784 . 1 1 70 70 SER CA C 13 58.234 0.300 . 1 . . . . 70 SER CA . 11352 1 785 . 1 1 70 70 SER CB C 13 64.280 0.300 . 1 . . . . 70 SER CB . 11352 1 786 . 1 1 70 70 SER N N 15 117.812 0.300 . 1 . . . . 70 SER N . 11352 1 stop_ save_