data_11332 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11332 _Entry.Title ; Solution structure of the RING domain of the human Polycomb group RING finger protein 6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _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 K. Miyamoto . . . 11332 2 T. Kigawa . . . 11332 3 M. Sato . . . 11332 4 S. Koshiba . . . 11332 5 M. Inoue . . . 11332 6 S. Yokoyama . . . 11332 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)' . 11332 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11332 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 300 11332 '15N chemical shifts' 66 11332 '1H chemical shifts' 460 11332 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 . . 2011-08-19 2010-08-10 original author . 11332 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DJB 'BMRB Entry Tracking System' 11332 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11332 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the RING domain of the human Polycomb group RING finger protein 6 ; _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 K. Miyamoto . . . 11332 1 2 T. Kigawa . . . 11332 1 3 M. Sato . . . 11332 1 4 S. Koshiba . . . 11332 1 5 M. Inoue . . . 11332 1 6 S. Yokoyama . . . 11332 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11332 _Assembly.ID 1 _Assembly.Name 'Polycomb group RING finger protein 6' _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 'RING domain' 1 $entity_1 A . yes native no no . . . 11332 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11332 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11332 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 'RING domain' 1 CYS 18 18 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 11332 1 2 coordination single . 1 'RING domain' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11332 1 3 coordination single . 1 'RING domain' 1 CYS 39 39 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 39 CYS SG . . . . ZN 11332 1 4 coordination single . 1 'RING domain' 1 CYS 42 42 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 42 CYS SG . . . . ZN 11332 1 5 coordination single . 1 'RING domain' 1 CYS 34 34 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 34 CYS SG . . . . ZN 11332 1 6 coordination single . 1 'RING domain' 1 HIS 36 36 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 36 HIS ND1 . . . . ZN 11332 1 7 coordination single . 1 'RING domain' 1 CYS 53 53 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 53 CYS SG . . . . ZN 11332 1 8 coordination single . 1 'RING domain' 1 CYS 56 56 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 56 CYS SG . . . . ZN 11332 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 53 53 HG . 53 CYS HG 11332 1 . . 1 1 CYS 56 56 HG . 56 CYS HG 11332 1 . . 1 1 CYS 34 34 HG . 34 CYS HG 11332 1 . . 1 1 HIS 36 36 HD1 . 36 HIS HD1 11332 1 . . 1 1 CYS 39 39 HG . 39 CYS HG 11332 1 . . 1 1 CYS 42 42 HG . 42 CYS HG 11332 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 11332 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11332 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 2djb . . . . . . 11332 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11332 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RING 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 ; GSSGSSGNLSELTPYILCSI CKGYLIDATTITECLHTFCK SCIVRHFYYSNRCPKCNIVV HQTQPLSGPSSG ; _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 72 _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 2DJB . "Solution Structure Of The Ring Domain Of The Human Polycomb Group Ring Finger Protein 6" . . . . . 100.00 72 100.00 100.00 2.58e-43 . . . . 11332 1 2 no DBJ BAB40779 . "hMBLR [Homo sapiens]" . . . . . 81.94 352 100.00 100.00 2.08e-36 . . . . 11332 1 3 no DBJ BAB40780 . "mMBLR [Mus musculus]" . . . . . 81.94 353 98.31 98.31 6.85e-36 . . . . 11332 1 4 no DBJ BAE21174 . "unnamed protein product [Mus musculus]" . . . . . 81.94 281 98.31 98.31 4.87e-36 . . . . 11332 1 5 no DBJ BAF83368 . "unnamed protein product [Homo sapiens]" . . . . . 81.94 350 100.00 100.00 1.93e-36 . . . . 11332 1 6 no DBJ BAJ17816 . "polycomb group ring finger 6 [synthetic construct]" . . . . . 81.94 350 100.00 100.00 1.75e-36 . . . . 11332 1 7 no GB AAH10235 . "Polycomb group ring finger 6 [Homo sapiens]" . . . . . 81.94 352 100.00 100.00 2.08e-36 . . . . 11332 1 8 no GB AAH16195 . "Polycomb group ring finger 6 [Mus musculus]" . . . . . 81.94 353 98.31 98.31 6.85e-36 . . . . 11332 1 9 no GB AAH83820 . "Polycomb group ring finger 6 [Rattus norvegicus]" . . . . . 81.94 351 98.31 98.31 4.37e-36 . . . . 11332 1 10 no GB AAH89460 . "Polycomb group ring finger 6 [Mus musculus]" . . . . . 81.94 353 98.31 98.31 6.85e-36 . . . . 11332 1 11 no GB ABZ92150 . "polycomb group ring finger 6 [synthetic construct]" . . . . . 81.94 352 100.00 100.00 2.08e-36 . . . . 11332 1 12 no REF NP_001011663 . "polycomb group RING finger protein 6 isoform a [Homo sapiens]" . . . . . 81.94 350 100.00 100.00 1.75e-36 . . . . 11332 1 13 no REF NP_001013172 . "polycomb group RING finger protein 6 [Rattus norvegicus]" . . . . . 81.94 351 98.31 98.31 4.37e-36 . . . . 11332 1 14 no REF NP_001181540 . "polycomb group RING finger protein 6 [Macaca mulatta]" . . . . . 81.94 350 100.00 100.00 1.41e-36 . . . . 11332 1 15 no REF NP_001192549 . "polycomb group RING finger protein 6 [Bos taurus]" . . . . . 81.94 351 100.00 100.00 1.33e-36 . . . . 11332 1 16 no REF NP_081930 . "polycomb group RING finger protein 6 [Mus musculus]" . . . . . 81.94 353 98.31 98.31 6.85e-36 . . . . 11332 1 17 no SP Q5XI70 . "RecName: Full=Polycomb group RING finger protein 6; AltName: Full=RING finger protein 134" . . . . . 81.94 351 98.31 98.31 4.37e-36 . . . . 11332 1 18 no SP Q99NA9 . "RecName: Full=Polycomb group RING finger protein 6; AltName: Full=Mel18 and Bmi1-like RING finger; AltName: Full=RING finger pr" . . . . . 81.94 353 98.31 98.31 6.85e-36 . . . . 11332 1 19 no SP Q9BYE7 . "RecName: Full=Polycomb group RING finger protein 6; AltName: Full=Mel18 and Bmi1-like RING finger; AltName: Full=RING finger pr" . . . . . 81.94 350 100.00 100.00 1.75e-36 . . . . 11332 1 20 no TPG DAA14916 . "TPA: Polycomb group ring finger 6-like isoform 2 [Bos taurus]" . . . . . 81.94 351 100.00 100.00 1.33e-36 . . . . 11332 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RING domain' . 11332 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 . 11332 1 2 . SER . 11332 1 3 . SER . 11332 1 4 . GLY . 11332 1 5 . SER . 11332 1 6 . SER . 11332 1 7 . GLY . 11332 1 8 . ASN . 11332 1 9 . LEU . 11332 1 10 . SER . 11332 1 11 . GLU . 11332 1 12 . LEU . 11332 1 13 . THR . 11332 1 14 . PRO . 11332 1 15 . TYR . 11332 1 16 . ILE . 11332 1 17 . LEU . 11332 1 18 . CYS . 11332 1 19 . SER . 11332 1 20 . ILE . 11332 1 21 . CYS . 11332 1 22 . LYS . 11332 1 23 . GLY . 11332 1 24 . TYR . 11332 1 25 . LEU . 11332 1 26 . ILE . 11332 1 27 . ASP . 11332 1 28 . ALA . 11332 1 29 . THR . 11332 1 30 . THR . 11332 1 31 . ILE . 11332 1 32 . THR . 11332 1 33 . GLU . 11332 1 34 . CYS . 11332 1 35 . LEU . 11332 1 36 . HIS . 11332 1 37 . THR . 11332 1 38 . PHE . 11332 1 39 . CYS . 11332 1 40 . LYS . 11332 1 41 . SER . 11332 1 42 . CYS . 11332 1 43 . ILE . 11332 1 44 . VAL . 11332 1 45 . ARG . 11332 1 46 . HIS . 11332 1 47 . PHE . 11332 1 48 . TYR . 11332 1 49 . TYR . 11332 1 50 . SER . 11332 1 51 . ASN . 11332 1 52 . ARG . 11332 1 53 . CYS . 11332 1 54 . PRO . 11332 1 55 . LYS . 11332 1 56 . CYS . 11332 1 57 . ASN . 11332 1 58 . ILE . 11332 1 59 . VAL . 11332 1 60 . VAL . 11332 1 61 . HIS . 11332 1 62 . GLN . 11332 1 63 . THR . 11332 1 64 . GLN . 11332 1 65 . PRO . 11332 1 66 . LEU . 11332 1 67 . SER . 11332 1 68 . GLY . 11332 1 69 . PRO . 11332 1 70 . SER . 11332 1 71 . SER . 11332 1 72 . GLY . 11332 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 11332 1 . SER 2 2 11332 1 . SER 3 3 11332 1 . GLY 4 4 11332 1 . SER 5 5 11332 1 . SER 6 6 11332 1 . GLY 7 7 11332 1 . ASN 8 8 11332 1 . LEU 9 9 11332 1 . SER 10 10 11332 1 . GLU 11 11 11332 1 . LEU 12 12 11332 1 . THR 13 13 11332 1 . PRO 14 14 11332 1 . TYR 15 15 11332 1 . ILE 16 16 11332 1 . LEU 17 17 11332 1 . CYS 18 18 11332 1 . SER 19 19 11332 1 . ILE 20 20 11332 1 . CYS 21 21 11332 1 . LYS 22 22 11332 1 . GLY 23 23 11332 1 . TYR 24 24 11332 1 . LEU 25 25 11332 1 . ILE 26 26 11332 1 . ASP 27 27 11332 1 . ALA 28 28 11332 1 . THR 29 29 11332 1 . THR 30 30 11332 1 . ILE 31 31 11332 1 . THR 32 32 11332 1 . GLU 33 33 11332 1 . CYS 34 34 11332 1 . LEU 35 35 11332 1 . HIS 36 36 11332 1 . THR 37 37 11332 1 . PHE 38 38 11332 1 . CYS 39 39 11332 1 . LYS 40 40 11332 1 . SER 41 41 11332 1 . CYS 42 42 11332 1 . ILE 43 43 11332 1 . VAL 44 44 11332 1 . ARG 45 45 11332 1 . HIS 46 46 11332 1 . PHE 47 47 11332 1 . TYR 48 48 11332 1 . TYR 49 49 11332 1 . SER 50 50 11332 1 . ASN 51 51 11332 1 . ARG 52 52 11332 1 . CYS 53 53 11332 1 . PRO 54 54 11332 1 . LYS 55 55 11332 1 . CYS 56 56 11332 1 . ASN 57 57 11332 1 . ILE 58 58 11332 1 . VAL 59 59 11332 1 . VAL 60 60 11332 1 . HIS 61 61 11332 1 . GLN 62 62 11332 1 . THR 63 63 11332 1 . GLN 64 64 11332 1 . PRO 65 65 11332 1 . LEU 66 66 11332 1 . SER 67 67 11332 1 . GLY 68 68 11332 1 . PRO 69 69 11332 1 . SER 70 70 11332 1 . SER 71 71 11332 1 . GLY 72 72 11332 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11332 _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 . 11332 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 11332 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11332 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 11332 _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 . . P050302-15 . . . . . . 11332 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 11332 _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 11332 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11332 ZN [Zn++] SMILES CACTVS 3.341 11332 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11332 ZN [Zn+2] SMILES ACDLabs 10.04 11332 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11332 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11332 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 11332 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11332 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 . 11332 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11332 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.43mM RING domain {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RING domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.43 . . mM . . . . 11332 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11332 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11332 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11332 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11332 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11332 1 7 IDA 'natural abundance' . . . . . salt 1.0 . . mM . . . . 11332 1 8 H2O . . . . . . solvent 90 . . % . . . . 11332 1 9 D2O . . . . . . solvent 10 . . % . . . . 11332 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 11332 _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 11332 1 pH 7.0 0.05 pH 11332 1 pressure 1 0.001 atm 11332 1 temperature 296 0.1 K 11332 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11332 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11332 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11332 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11332 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11332 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11332 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11332 _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.' . . 11332 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11332 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11332 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9732 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11332 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11332 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11332 _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.' . . 11332 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11332 5 'structure solution' 11332 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 11332 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11332 _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 . 900 . . . 11332 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 11332 _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 . . . . . . . . . . . . . . . . 11332 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11332 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 11332 _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 . . . . . . . . . 11332 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11332 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11332 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 11332 _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 11332 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11332 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 . . 11332 1 2 $NMRPipe . . 11332 1 3 $NMRView . . 11332 1 4 $Kujira . . 11332 1 5 $CYANA . . 11332 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 6 6 SER HA H 1 4.481 0.030 . 1 . . . . 6 SER HA . 11332 1 2 . 1 1 6 6 SER HB2 H 1 3.890 0.030 . 1 . . . . 6 SER HB2 . 11332 1 3 . 1 1 6 6 SER HB3 H 1 3.890 0.030 . 1 . . . . 6 SER HB3 . 11332 1 4 . 1 1 6 6 SER C C 13 175.003 0.300 . 1 . . . . 6 SER C . 11332 1 5 . 1 1 6 6 SER CA C 13 58.653 0.300 . 1 . . . . 6 SER CA . 11332 1 6 . 1 1 6 6 SER CB C 13 63.645 0.300 . 1 . . . . 6 SER CB . 11332 1 7 . 1 1 7 7 GLY H H 1 8.396 0.030 . 1 . . . . 7 GLY H . 11332 1 8 . 1 1 7 7 GLY HA2 H 1 3.948 0.030 . 1 . . . . 7 GLY HA2 . 11332 1 9 . 1 1 7 7 GLY HA3 H 1 3.948 0.030 . 1 . . . . 7 GLY HA3 . 11332 1 10 . 1 1 7 7 GLY C C 13 173.809 0.300 . 1 . . . . 7 GLY C . 11332 1 11 . 1 1 7 7 GLY CA C 13 45.289 0.300 . 1 . . . . 7 GLY CA . 11332 1 12 . 1 1 7 7 GLY N N 15 110.467 0.300 . 1 . . . . 7 GLY N . 11332 1 13 . 1 1 8 8 ASN H H 1 8.301 0.030 . 1 . . . . 8 ASN H . 11332 1 14 . 1 1 8 8 ASN HA H 1 4.714 0.030 . 1 . . . . 8 ASN HA . 11332 1 15 . 1 1 8 8 ASN HB2 H 1 2.820 0.030 . 2 . . . . 8 ASN HB2 . 11332 1 16 . 1 1 8 8 ASN HB3 H 1 2.724 0.030 . 2 . . . . 8 ASN HB3 . 11332 1 17 . 1 1 8 8 ASN HD21 H 1 7.596 0.030 . 2 . . . . 8 ASN HD21 . 11332 1 18 . 1 1 8 8 ASN HD22 H 1 6.922 0.030 . 2 . . . . 8 ASN HD22 . 11332 1 19 . 1 1 8 8 ASN C C 13 175.490 0.300 . 1 . . . . 8 ASN C . 11332 1 20 . 1 1 8 8 ASN CA C 13 53.139 0.300 . 1 . . . . 8 ASN CA . 11332 1 21 . 1 1 8 8 ASN CB C 13 38.778 0.300 . 1 . . . . 8 ASN CB . 11332 1 22 . 1 1 8 8 ASN N N 15 118.689 0.300 . 1 . . . . 8 ASN N . 11332 1 23 . 1 1 8 8 ASN ND2 N 15 112.927 0.300 . 1 . . . . 8 ASN ND2 . 11332 1 24 . 1 1 9 9 LEU H H 1 8.346 0.030 . 1 . . . . 9 LEU H . 11332 1 25 . 1 1 9 9 LEU HA H 1 4.308 0.030 . 1 . . . . 9 LEU HA . 11332 1 26 . 1 1 9 9 LEU HB2 H 1 1.664 0.030 . 2 . . . . 9 LEU HB2 . 11332 1 27 . 1 1 9 9 LEU HB3 H 1 1.590 0.030 . 2 . . . . 9 LEU HB3 . 11332 1 28 . 1 1 9 9 LEU HD11 H 1 0.887 0.030 . 1 . . . . 9 LEU HD1 . 11332 1 29 . 1 1 9 9 LEU HD12 H 1 0.887 0.030 . 1 . . . . 9 LEU HD1 . 11332 1 30 . 1 1 9 9 LEU HD13 H 1 0.887 0.030 . 1 . . . . 9 LEU HD1 . 11332 1 31 . 1 1 9 9 LEU HD21 H 1 0.835 0.030 . 1 . . . . 9 LEU HD2 . 11332 1 32 . 1 1 9 9 LEU HD22 H 1 0.835 0.030 . 1 . . . . 9 LEU HD2 . 11332 1 33 . 1 1 9 9 LEU HD23 H 1 0.835 0.030 . 1 . . . . 9 LEU HD2 . 11332 1 34 . 1 1 9 9 LEU HG H 1 1.630 0.030 . 1 . . . . 9 LEU HG . 11332 1 35 . 1 1 9 9 LEU C C 13 177.726 0.300 . 1 . . . . 9 LEU C . 11332 1 36 . 1 1 9 9 LEU CA C 13 55.740 0.300 . 1 . . . . 9 LEU CA . 11332 1 37 . 1 1 9 9 LEU CB C 13 42.152 0.300 . 1 . . . . 9 LEU CB . 11332 1 38 . 1 1 9 9 LEU CD1 C 13 25.029 0.300 . 2 . . . . 9 LEU CD1 . 11332 1 39 . 1 1 9 9 LEU CD2 C 13 23.384 0.300 . 2 . . . . 9 LEU CD2 . 11332 1 40 . 1 1 9 9 LEU CG C 13 26.898 0.300 . 1 . . . . 9 LEU CG . 11332 1 41 . 1 1 9 9 LEU N N 15 122.968 0.300 . 1 . . . . 9 LEU N . 11332 1 42 . 1 1 10 10 SER H H 1 8.287 0.030 . 1 . . . . 10 SER H . 11332 1 43 . 1 1 10 10 SER HA H 1 4.368 0.030 . 1 . . . . 10 SER HA . 11332 1 44 . 1 1 10 10 SER HB2 H 1 3.846 0.030 . 1 . . . . 10 SER HB2 . 11332 1 45 . 1 1 10 10 SER HB3 H 1 3.846 0.030 . 1 . . . . 10 SER HB3 . 11332 1 46 . 1 1 10 10 SER C C 13 174.688 0.300 . 1 . . . . 10 SER C . 11332 1 47 . 1 1 10 10 SER CA C 13 58.857 0.300 . 1 . . . . 10 SER CA . 11332 1 48 . 1 1 10 10 SER CB C 13 63.659 0.300 . 1 . . . . 10 SER CB . 11332 1 49 . 1 1 10 10 SER N N 15 115.959 0.300 . 1 . . . . 10 SER N . 11332 1 50 . 1 1 11 11 GLU H H 1 8.293 0.030 . 1 . . . . 11 GLU H . 11332 1 51 . 1 1 11 11 GLU HA H 1 4.273 0.030 . 1 . . . . 11 GLU HA . 11332 1 52 . 1 1 11 11 GLU HB2 H 1 1.912 0.030 . 2 . . . . 11 GLU HB2 . 11332 1 53 . 1 1 11 11 GLU HB3 H 1 2.056 0.030 . 2 . . . . 11 GLU HB3 . 11332 1 54 . 1 1 11 11 GLU HG2 H 1 2.225 0.030 . 1 . . . . 11 GLU HG2 . 11332 1 55 . 1 1 11 11 GLU HG3 H 1 2.225 0.030 . 1 . . . . 11 GLU HG3 . 11332 1 56 . 1 1 11 11 GLU C C 13 176.320 0.300 . 1 . . . . 11 GLU C . 11332 1 57 . 1 1 11 11 GLU CA C 13 56.657 0.300 . 1 . . . . 11 GLU CA . 11332 1 58 . 1 1 11 11 GLU CB C 13 30.166 0.300 . 1 . . . . 11 GLU CB . 11332 1 59 . 1 1 11 11 GLU CG C 13 36.295 0.300 . 1 . . . . 11 GLU CG . 11332 1 60 . 1 1 11 11 GLU N N 15 122.108 0.300 . 1 . . . . 11 GLU N . 11332 1 61 . 1 1 12 12 LEU H H 1 8.142 0.030 . 1 . . . . 12 LEU H . 11332 1 62 . 1 1 12 12 LEU HA H 1 4.365 0.030 . 1 . . . . 12 LEU HA . 11332 1 63 . 1 1 12 12 LEU HB2 H 1 1.629 0.030 . 2 . . . . 12 LEU HB2 . 11332 1 64 . 1 1 12 12 LEU HB3 H 1 1.547 0.030 . 2 . . . . 12 LEU HB3 . 11332 1 65 . 1 1 12 12 LEU HD11 H 1 0.888 0.030 . 1 . . . . 12 LEU HD1 . 11332 1 66 . 1 1 12 12 LEU HD12 H 1 0.888 0.030 . 1 . . . . 12 LEU HD1 . 11332 1 67 . 1 1 12 12 LEU HD13 H 1 0.888 0.030 . 1 . . . . 12 LEU HD1 . 11332 1 68 . 1 1 12 12 LEU HD21 H 1 0.835 0.030 . 1 . . . . 12 LEU HD2 . 11332 1 69 . 1 1 12 12 LEU HD22 H 1 0.835 0.030 . 1 . . . . 12 LEU HD2 . 11332 1 70 . 1 1 12 12 LEU HD23 H 1 0.835 0.030 . 1 . . . . 12 LEU HD2 . 11332 1 71 . 1 1 12 12 LEU HG H 1 1.624 0.030 . 1 . . . . 12 LEU HG . 11332 1 72 . 1 1 12 12 LEU C C 13 177.210 0.300 . 1 . . . . 12 LEU C . 11332 1 73 . 1 1 12 12 LEU CA C 13 55.020 0.300 . 1 . . . . 12 LEU CA . 11332 1 74 . 1 1 12 12 LEU CB C 13 42.201 0.300 . 1 . . . . 12 LEU CB . 11332 1 75 . 1 1 12 12 LEU CD1 C 13 25.029 0.300 . 2 . . . . 12 LEU CD1 . 11332 1 76 . 1 1 12 12 LEU CD2 C 13 23.444 0.300 . 2 . . . . 12 LEU CD2 . 11332 1 77 . 1 1 12 12 LEU CG C 13 27.085 0.300 . 1 . . . . 12 LEU CG . 11332 1 78 . 1 1 12 12 LEU N N 15 122.284 0.300 . 1 . . . . 12 LEU N . 11332 1 79 . 1 1 13 13 THR H H 1 7.955 0.030 . 1 . . . . 13 THR H . 11332 1 80 . 1 1 13 13 THR HA H 1 4.508 0.030 . 1 . . . . 13 THR HA . 11332 1 81 . 1 1 13 13 THR HB H 1 4.106 0.030 . 1 . . . . 13 THR HB . 11332 1 82 . 1 1 13 13 THR HG21 H 1 1.155 0.030 . 1 . . . . 13 THR HG2 . 11332 1 83 . 1 1 13 13 THR HG22 H 1 1.155 0.030 . 1 . . . . 13 THR HG2 . 11332 1 84 . 1 1 13 13 THR HG23 H 1 1.155 0.030 . 1 . . . . 13 THR HG2 . 11332 1 85 . 1 1 13 13 THR C C 13 172.820 0.300 . 1 . . . . 13 THR C . 11332 1 86 . 1 1 13 13 THR CA C 13 59.786 0.300 . 1 . . . . 13 THR CA . 11332 1 87 . 1 1 13 13 THR CB C 13 69.521 0.300 . 1 . . . . 13 THR CB . 11332 1 88 . 1 1 13 13 THR CG2 C 13 21.299 0.300 . 1 . . . . 13 THR CG2 . 11332 1 89 . 1 1 13 13 THR N N 15 116.581 0.300 . 1 . . . . 13 THR N . 11332 1 90 . 1 1 14 14 PRO HA H 1 4.306 0.030 . 1 . . . . 14 PRO HA . 11332 1 91 . 1 1 14 14 PRO HB2 H 1 1.568 0.030 . 2 . . . . 14 PRO HB2 . 11332 1 92 . 1 1 14 14 PRO HB3 H 1 2.115 0.030 . 2 . . . . 14 PRO HB3 . 11332 1 93 . 1 1 14 14 PRO HD2 H 1 3.695 0.030 . 2 . . . . 14 PRO HD2 . 11332 1 94 . 1 1 14 14 PRO HD3 H 1 3.541 0.030 . 2 . . . . 14 PRO HD3 . 11332 1 95 . 1 1 14 14 PRO HG2 H 1 1.746 0.030 . 2 . . . . 14 PRO HG2 . 11332 1 96 . 1 1 14 14 PRO HG3 H 1 1.858 0.030 . 2 . . . . 14 PRO HG3 . 11332 1 97 . 1 1 14 14 PRO C C 13 176.447 0.300 . 1 . . . . 14 PRO C . 11332 1 98 . 1 1 14 14 PRO CA C 13 63.383 0.300 . 1 . . . . 14 PRO CA . 11332 1 99 . 1 1 14 14 PRO CB C 13 31.854 0.300 . 1 . . . . 14 PRO CB . 11332 1 100 . 1 1 14 14 PRO CD C 13 50.907 0.300 . 1 . . . . 14 PRO CD . 11332 1 101 . 1 1 14 14 PRO CG C 13 27.129 0.300 . 1 . . . . 14 PRO CG . 11332 1 102 . 1 1 15 15 TYR H H 1 7.877 0.030 . 1 . . . . 15 TYR H . 11332 1 103 . 1 1 15 15 TYR HA H 1 4.542 0.030 . 1 . . . . 15 TYR HA . 11332 1 104 . 1 1 15 15 TYR HB2 H 1 2.782 0.030 . 2 . . . . 15 TYR HB2 . 11332 1 105 . 1 1 15 15 TYR HB3 H 1 3.017 0.030 . 2 . . . . 15 TYR HB3 . 11332 1 106 . 1 1 15 15 TYR HD1 H 1 7.018 0.030 . 1 . . . . 15 TYR HD1 . 11332 1 107 . 1 1 15 15 TYR HD2 H 1 7.018 0.030 . 1 . . . . 15 TYR HD2 . 11332 1 108 . 1 1 15 15 TYR HE1 H 1 6.796 0.030 . 1 . . . . 15 TYR HE1 . 11332 1 109 . 1 1 15 15 TYR HE2 H 1 6.796 0.030 . 1 . . . . 15 TYR HE2 . 11332 1 110 . 1 1 15 15 TYR C C 13 175.188 0.300 . 1 . . . . 15 TYR C . 11332 1 111 . 1 1 15 15 TYR CA C 13 57.365 0.300 . 1 . . . . 15 TYR CA . 11332 1 112 . 1 1 15 15 TYR CB C 13 38.422 0.300 . 1 . . . . 15 TYR CB . 11332 1 113 . 1 1 15 15 TYR CD1 C 13 133.074 0.300 . 1 . . . . 15 TYR CD1 . 11332 1 114 . 1 1 15 15 TYR CD2 C 13 133.074 0.300 . 1 . . . . 15 TYR CD2 . 11332 1 115 . 1 1 15 15 TYR CE1 C 13 118.284 0.300 . 1 . . . . 15 TYR CE1 . 11332 1 116 . 1 1 15 15 TYR CE2 C 13 118.284 0.300 . 1 . . . . 15 TYR CE2 . 11332 1 117 . 1 1 15 15 TYR N N 15 118.696 0.300 . 1 . . . . 15 TYR N . 11332 1 118 . 1 1 16 16 ILE H H 1 7.897 0.030 . 1 . . . . 16 ILE H . 11332 1 119 . 1 1 16 16 ILE HA H 1 4.219 0.030 . 1 . . . . 16 ILE HA . 11332 1 120 . 1 1 16 16 ILE HB H 1 1.822 0.030 . 1 . . . . 16 ILE HB . 11332 1 121 . 1 1 16 16 ILE HD11 H 1 0.822 0.030 . 1 . . . . 16 ILE HD1 . 11332 1 122 . 1 1 16 16 ILE HD12 H 1 0.822 0.030 . 1 . . . . 16 ILE HD1 . 11332 1 123 . 1 1 16 16 ILE HD13 H 1 0.822 0.030 . 1 . . . . 16 ILE HD1 . 11332 1 124 . 1 1 16 16 ILE HG12 H 1 1.397 0.030 . 2 . . . . 16 ILE HG12 . 11332 1 125 . 1 1 16 16 ILE HG13 H 1 1.114 0.030 . 2 . . . . 16 ILE HG13 . 11332 1 126 . 1 1 16 16 ILE HG21 H 1 0.870 0.030 . 1 . . . . 16 ILE HG2 . 11332 1 127 . 1 1 16 16 ILE HG22 H 1 0.870 0.030 . 1 . . . . 16 ILE HG2 . 11332 1 128 . 1 1 16 16 ILE HG23 H 1 0.870 0.030 . 1 . . . . 16 ILE HG2 . 11332 1 129 . 1 1 16 16 ILE C C 13 174.851 0.300 . 1 . . . . 16 ILE C . 11332 1 130 . 1 1 16 16 ILE CA C 13 61.158 0.300 . 1 . . . . 16 ILE CA . 11332 1 131 . 1 1 16 16 ILE CB C 13 39.252 0.300 . 1 . . . . 16 ILE CB . 11332 1 132 . 1 1 16 16 ILE CD1 C 13 12.954 0.300 . 1 . . . . 16 ILE CD1 . 11332 1 133 . 1 1 16 16 ILE CG1 C 13 27.048 0.300 . 1 . . . . 16 ILE CG1 . 11332 1 134 . 1 1 16 16 ILE CG2 C 13 17.971 0.300 . 1 . . . . 16 ILE CG2 . 11332 1 135 . 1 1 16 16 ILE N N 15 120.627 0.300 . 1 . . . . 16 ILE N . 11332 1 136 . 1 1 17 17 LEU H H 1 7.894 0.030 . 1 . . . . 17 LEU H . 11332 1 137 . 1 1 17 17 LEU HA H 1 4.626 0.030 . 1 . . . . 17 LEU HA . 11332 1 138 . 1 1 17 17 LEU HB2 H 1 1.018 0.030 . 2 . . . . 17 LEU HB2 . 11332 1 139 . 1 1 17 17 LEU HB3 H 1 1.419 0.030 . 2 . . . . 17 LEU HB3 . 11332 1 140 . 1 1 17 17 LEU HD11 H 1 0.683 0.030 . 1 . . . . 17 LEU HD1 . 11332 1 141 . 1 1 17 17 LEU HD12 H 1 0.683 0.030 . 1 . . . . 17 LEU HD1 . 11332 1 142 . 1 1 17 17 LEU HD13 H 1 0.683 0.030 . 1 . . . . 17 LEU HD1 . 11332 1 143 . 1 1 17 17 LEU HD21 H 1 0.380 0.030 . 1 . . . . 17 LEU HD2 . 11332 1 144 . 1 1 17 17 LEU HD22 H 1 0.380 0.030 . 1 . . . . 17 LEU HD2 . 11332 1 145 . 1 1 17 17 LEU HD23 H 1 0.380 0.030 . 1 . . . . 17 LEU HD2 . 11332 1 146 . 1 1 17 17 LEU HG H 1 1.418 0.030 . 1 . . . . 17 LEU HG . 11332 1 147 . 1 1 17 17 LEU C C 13 176.895 0.300 . 1 . . . . 17 LEU C . 11332 1 148 . 1 1 17 17 LEU CA C 13 53.271 0.300 . 1 . . . . 17 LEU CA . 11332 1 149 . 1 1 17 17 LEU CB C 13 43.709 0.300 . 1 . . . . 17 LEU CB . 11332 1 150 . 1 1 17 17 LEU CD1 C 13 25.193 0.300 . 2 . . . . 17 LEU CD1 . 11332 1 151 . 1 1 17 17 LEU CD2 C 13 22.896 0.300 . 2 . . . . 17 LEU CD2 . 11332 1 152 . 1 1 17 17 LEU CG C 13 26.648 0.300 . 1 . . . . 17 LEU CG . 11332 1 153 . 1 1 17 17 LEU N N 15 123.193 0.300 . 1 . . . . 17 LEU N . 11332 1 154 . 1 1 18 18 CYS H H 1 8.952 0.030 . 1 . . . . 18 CYS H . 11332 1 155 . 1 1 18 18 CYS HA H 1 4.355 0.030 . 1 . . . . 18 CYS HA . 11332 1 156 . 1 1 18 18 CYS HB2 H 1 3.043 0.030 . 2 . . . . 18 CYS HB2 . 11332 1 157 . 1 1 18 18 CYS HB3 H 1 3.509 0.030 . 2 . . . . 18 CYS HB3 . 11332 1 158 . 1 1 18 18 CYS C C 13 177.847 0.300 . 1 . . . . 18 CYS C . 11332 1 159 . 1 1 18 18 CYS CA C 13 59.408 0.300 . 1 . . . . 18 CYS CA . 11332 1 160 . 1 1 18 18 CYS CB C 13 33.231 0.300 . 1 . . . . 18 CYS CB . 11332 1 161 . 1 1 18 18 CYS N N 15 125.899 0.300 . 1 . . . . 18 CYS N . 11332 1 162 . 1 1 19 19 SER H H 1 8.938 0.030 . 1 . . . . 19 SER H . 11332 1 163 . 1 1 19 19 SER HA H 1 4.242 0.030 . 1 . . . . 19 SER HA . 11332 1 164 . 1 1 19 19 SER HB2 H 1 3.847 0.030 . 2 . . . . 19 SER HB2 . 11332 1 165 . 1 1 19 19 SER HB3 H 1 4.031 0.030 . 2 . . . . 19 SER HB3 . 11332 1 166 . 1 1 19 19 SER C C 13 174.969 0.300 . 1 . . . . 19 SER C . 11332 1 167 . 1 1 19 19 SER CA C 13 61.452 0.300 . 1 . . . . 19 SER CA . 11332 1 168 . 1 1 19 19 SER CB C 13 63.080 0.300 . 1 . . . . 19 SER CB . 11332 1 169 . 1 1 19 19 SER N N 15 124.234 0.300 . 1 . . . . 19 SER N . 11332 1 170 . 1 1 20 20 ILE H H 1 9.144 0.030 . 1 . . . . 20 ILE H . 11332 1 171 . 1 1 20 20 ILE HA H 1 4.032 0.030 . 1 . . . . 20 ILE HA . 11332 1 172 . 1 1 20 20 ILE HB H 1 1.994 0.030 . 1 . . . . 20 ILE HB . 11332 1 173 . 1 1 20 20 ILE HD11 H 1 0.249 0.030 . 1 . . . . 20 ILE HD1 . 11332 1 174 . 1 1 20 20 ILE HD12 H 1 0.249 0.030 . 1 . . . . 20 ILE HD1 . 11332 1 175 . 1 1 20 20 ILE HD13 H 1 0.249 0.030 . 1 . . . . 20 ILE HD1 . 11332 1 176 . 1 1 20 20 ILE HG12 H 1 0.733 0.030 . 2 . . . . 20 ILE HG12 . 11332 1 177 . 1 1 20 20 ILE HG13 H 1 1.607 0.030 . 2 . . . . 20 ILE HG13 . 11332 1 178 . 1 1 20 20 ILE HG21 H 1 0.928 0.030 . 1 . . . . 20 ILE HG2 . 11332 1 179 . 1 1 20 20 ILE HG22 H 1 0.928 0.030 . 1 . . . . 20 ILE HG2 . 11332 1 180 . 1 1 20 20 ILE HG23 H 1 0.928 0.030 . 1 . . . . 20 ILE HG2 . 11332 1 181 . 1 1 20 20 ILE C C 13 176.859 0.300 . 1 . . . . 20 ILE C . 11332 1 182 . 1 1 20 20 ILE CA C 13 64.991 0.300 . 1 . . . . 20 ILE CA . 11332 1 183 . 1 1 20 20 ILE CB C 13 38.463 0.300 . 1 . . . . 20 ILE CB . 11332 1 184 . 1 1 20 20 ILE CD1 C 13 14.206 0.300 . 1 . . . . 20 ILE CD1 . 11332 1 185 . 1 1 20 20 ILE CG1 C 13 27.561 0.300 . 1 . . . . 20 ILE CG1 . 11332 1 186 . 1 1 20 20 ILE CG2 C 13 17.078 0.300 . 1 . . . . 20 ILE CG2 . 11332 1 187 . 1 1 20 20 ILE N N 15 124.524 0.300 . 1 . . . . 20 ILE N . 11332 1 188 . 1 1 21 21 CYS H H 1 8.176 0.030 . 1 . . . . 21 CYS H . 11332 1 189 . 1 1 21 21 CYS HA H 1 4.652 0.030 . 1 . . . . 21 CYS HA . 11332 1 190 . 1 1 21 21 CYS HB2 H 1 3.124 0.030 . 1 . . . . 21 CYS HB2 . 11332 1 191 . 1 1 21 21 CYS HB3 H 1 3.124 0.030 . 1 . . . . 21 CYS HB3 . 11332 1 192 . 1 1 21 21 CYS C C 13 176.949 0.300 . 1 . . . . 21 CYS C . 11332 1 193 . 1 1 21 21 CYS CA C 13 59.082 0.300 . 1 . . . . 21 CYS CA . 11332 1 194 . 1 1 21 21 CYS CB C 13 31.580 0.300 . 1 . . . . 21 CYS CB . 11332 1 195 . 1 1 21 21 CYS N N 15 118.015 0.300 . 1 . . . . 21 CYS N . 11332 1 196 . 1 1 22 22 LYS H H 1 8.109 0.030 . 1 . . . . 22 LYS H . 11332 1 197 . 1 1 22 22 LYS HA H 1 4.021 0.030 . 1 . . . . 22 LYS HA . 11332 1 198 . 1 1 22 22 LYS HB2 H 1 1.955 0.030 . 2 . . . . 22 LYS HB2 . 11332 1 199 . 1 1 22 22 LYS HB3 H 1 2.156 0.030 . 2 . . . . 22 LYS HB3 . 11332 1 200 . 1 1 22 22 LYS HD2 H 1 1.553 0.030 . 1 . . . . 22 LYS HD2 . 11332 1 201 . 1 1 22 22 LYS HD3 H 1 1.553 0.030 . 1 . . . . 22 LYS HD3 . 11332 1 202 . 1 1 22 22 LYS HE2 H 1 2.970 0.030 . 2 . . . . 22 LYS HE2 . 11332 1 203 . 1 1 22 22 LYS HE3 H 1 2.931 0.030 . 2 . . . . 22 LYS HE3 . 11332 1 204 . 1 1 22 22 LYS HG2 H 1 1.305 0.030 . 2 . . . . 22 LYS HG2 . 11332 1 205 . 1 1 22 22 LYS HG3 H 1 1.221 0.030 . 2 . . . . 22 LYS HG3 . 11332 1 206 . 1 1 22 22 LYS C C 13 174.720 0.300 . 1 . . . . 22 LYS C . 11332 1 207 . 1 1 22 22 LYS CA C 13 57.657 0.300 . 1 . . . . 22 LYS CA . 11332 1 208 . 1 1 22 22 LYS CB C 13 28.898 0.300 . 1 . . . . 22 LYS CB . 11332 1 209 . 1 1 22 22 LYS CD C 13 28.742 0.300 . 1 . . . . 22 LYS CD . 11332 1 210 . 1 1 22 22 LYS CE C 13 42.426 0.300 . 1 . . . . 22 LYS CE . 11332 1 211 . 1 1 22 22 LYS CG C 13 25.135 0.300 . 1 . . . . 22 LYS CG . 11332 1 212 . 1 1 22 22 LYS N N 15 118.531 0.300 . 1 . . . . 22 LYS N . 11332 1 213 . 1 1 23 23 GLY H H 1 8.575 0.030 . 1 . . . . 23 GLY H . 11332 1 214 . 1 1 23 23 GLY HA2 H 1 3.701 0.030 . 2 . . . . 23 GLY HA2 . 11332 1 215 . 1 1 23 23 GLY HA3 H 1 4.371 0.030 . 2 . . . . 23 GLY HA3 . 11332 1 216 . 1 1 23 23 GLY C C 13 172.825 0.300 . 1 . . . . 23 GLY C . 11332 1 217 . 1 1 23 23 GLY CA C 13 42.902 0.300 . 1 . . . . 23 GLY CA . 11332 1 218 . 1 1 23 23 GLY N N 15 110.170 0.300 . 1 . . . . 23 GLY N . 11332 1 219 . 1 1 24 24 TYR H H 1 7.774 0.030 . 1 . . . . 24 TYR H . 11332 1 220 . 1 1 24 24 TYR HA H 1 4.512 0.030 . 1 . . . . 24 TYR HA . 11332 1 221 . 1 1 24 24 TYR HB2 H 1 2.700 0.030 . 2 . . . . 24 TYR HB2 . 11332 1 222 . 1 1 24 24 TYR HB3 H 1 3.037 0.030 . 2 . . . . 24 TYR HB3 . 11332 1 223 . 1 1 24 24 TYR HD1 H 1 7.049 0.030 . 1 . . . . 24 TYR HD1 . 11332 1 224 . 1 1 24 24 TYR HD2 H 1 7.049 0.030 . 1 . . . . 24 TYR HD2 . 11332 1 225 . 1 1 24 24 TYR HE1 H 1 6.715 0.030 . 1 . . . . 24 TYR HE1 . 11332 1 226 . 1 1 24 24 TYR HE2 H 1 6.715 0.030 . 1 . . . . 24 TYR HE2 . 11332 1 227 . 1 1 24 24 TYR C C 13 176.330 0.300 . 1 . . . . 24 TYR C . 11332 1 228 . 1 1 24 24 TYR CA C 13 58.167 0.300 . 1 . . . . 24 TYR CA . 11332 1 229 . 1 1 24 24 TYR CB C 13 37.941 0.300 . 1 . . . . 24 TYR CB . 11332 1 230 . 1 1 24 24 TYR CD1 C 13 132.834 0.300 . 1 . . . . 24 TYR CD1 . 11332 1 231 . 1 1 24 24 TYR CD2 C 13 132.834 0.300 . 1 . . . . 24 TYR CD2 . 11332 1 232 . 1 1 24 24 TYR CE1 C 13 118.086 0.300 . 1 . . . . 24 TYR CE1 . 11332 1 233 . 1 1 24 24 TYR CE2 C 13 118.086 0.300 . 1 . . . . 24 TYR CE2 . 11332 1 234 . 1 1 24 24 TYR N N 15 117.256 0.300 . 1 . . . . 24 TYR N . 11332 1 235 . 1 1 25 25 LEU H H 1 7.935 0.030 . 1 . . . . 25 LEU H . 11332 1 236 . 1 1 25 25 LEU HA H 1 4.461 0.030 . 1 . . . . 25 LEU HA . 11332 1 237 . 1 1 25 25 LEU HB2 H 1 1.641 0.030 . 2 . . . . 25 LEU HB2 . 11332 1 238 . 1 1 25 25 LEU HB3 H 1 1.034 0.030 . 2 . . . . 25 LEU HB3 . 11332 1 239 . 1 1 25 25 LEU HD11 H 1 0.702 0.030 . 1 . . . . 25 LEU HD1 . 11332 1 240 . 1 1 25 25 LEU HD12 H 1 0.702 0.030 . 1 . . . . 25 LEU HD1 . 11332 1 241 . 1 1 25 25 LEU HD13 H 1 0.702 0.030 . 1 . . . . 25 LEU HD1 . 11332 1 242 . 1 1 25 25 LEU HD21 H 1 0.731 0.030 . 1 . . . . 25 LEU HD2 . 11332 1 243 . 1 1 25 25 LEU HD22 H 1 0.731 0.030 . 1 . . . . 25 LEU HD2 . 11332 1 244 . 1 1 25 25 LEU HD23 H 1 0.731 0.030 . 1 . . . . 25 LEU HD2 . 11332 1 245 . 1 1 25 25 LEU HG H 1 1.449 0.030 . 1 . . . . 25 LEU HG . 11332 1 246 . 1 1 25 25 LEU C C 13 177.448 0.300 . 1 . . . . 25 LEU C . 11332 1 247 . 1 1 25 25 LEU CA C 13 55.834 0.300 . 1 . . . . 25 LEU CA . 11332 1 248 . 1 1 25 25 LEU CB C 13 43.787 0.300 . 1 . . . . 25 LEU CB . 11332 1 249 . 1 1 25 25 LEU CD1 C 13 26.048 0.300 . 2 . . . . 25 LEU CD1 . 11332 1 250 . 1 1 25 25 LEU CD2 C 13 24.605 0.300 . 2 . . . . 25 LEU CD2 . 11332 1 251 . 1 1 25 25 LEU CG C 13 27.398 0.300 . 1 . . . . 25 LEU CG . 11332 1 252 . 1 1 25 25 LEU N N 15 120.692 0.300 . 1 . . . . 25 LEU N . 11332 1 253 . 1 1 26 26 ILE H H 1 8.395 0.030 . 1 . . . . 26 ILE H . 11332 1 254 . 1 1 26 26 ILE HA H 1 4.237 0.030 . 1 . . . . 26 ILE HA . 11332 1 255 . 1 1 26 26 ILE HB H 1 1.954 0.030 . 1 . . . . 26 ILE HB . 11332 1 256 . 1 1 26 26 ILE HD11 H 1 0.854 0.030 . 1 . . . . 26 ILE HD1 . 11332 1 257 . 1 1 26 26 ILE HD12 H 1 0.854 0.030 . 1 . . . . 26 ILE HD1 . 11332 1 258 . 1 1 26 26 ILE HD13 H 1 0.854 0.030 . 1 . . . . 26 ILE HD1 . 11332 1 259 . 1 1 26 26 ILE HG12 H 1 1.275 0.030 . 2 . . . . 26 ILE HG12 . 11332 1 260 . 1 1 26 26 ILE HG13 H 1 1.637 0.030 . 2 . . . . 26 ILE HG13 . 11332 1 261 . 1 1 26 26 ILE HG21 H 1 0.919 0.030 . 1 . . . . 26 ILE HG2 . 11332 1 262 . 1 1 26 26 ILE HG22 H 1 0.919 0.030 . 1 . . . . 26 ILE HG2 . 11332 1 263 . 1 1 26 26 ILE HG23 H 1 0.919 0.030 . 1 . . . . 26 ILE HG2 . 11332 1 264 . 1 1 26 26 ILE C C 13 176.541 0.300 . 1 . . . . 26 ILE C . 11332 1 265 . 1 1 26 26 ILE CA C 13 60.166 0.300 . 1 . . . . 26 ILE CA . 11332 1 266 . 1 1 26 26 ILE CB C 13 38.752 0.300 . 1 . . . . 26 ILE CB . 11332 1 267 . 1 1 26 26 ILE CD1 C 13 12.077 0.300 . 1 . . . . 26 ILE CD1 . 11332 1 268 . 1 1 26 26 ILE CG1 C 13 26.860 0.300 . 1 . . . . 26 ILE CG1 . 11332 1 269 . 1 1 26 26 ILE CG2 C 13 17.339 0.300 . 1 . . . . 26 ILE CG2 . 11332 1 270 . 1 1 26 26 ILE N N 15 127.152 0.300 . 1 . . . . 26 ILE N . 11332 1 271 . 1 1 27 27 ASP H H 1 9.037 0.030 . 1 . . . . 27 ASP H . 11332 1 272 . 1 1 27 27 ASP HA H 1 4.269 0.030 . 1 . . . . 27 ASP HA . 11332 1 273 . 1 1 27 27 ASP HB2 H 1 2.669 0.030 . 2 . . . . 27 ASP HB2 . 11332 1 274 . 1 1 27 27 ASP HB3 H 1 3.072 0.030 . 2 . . . . 27 ASP HB3 . 11332 1 275 . 1 1 27 27 ASP C C 13 174.738 0.300 . 1 . . . . 27 ASP C . 11332 1 276 . 1 1 27 27 ASP CA C 13 54.802 0.300 . 1 . . . . 27 ASP CA . 11332 1 277 . 1 1 27 27 ASP CB C 13 39.287 0.300 . 1 . . . . 27 ASP CB . 11332 1 278 . 1 1 27 27 ASP N N 15 128.904 0.300 . 1 . . . . 27 ASP N . 11332 1 279 . 1 1 28 28 ALA H H 1 8.296 0.030 . 1 . . . . 28 ALA H . 11332 1 280 . 1 1 28 28 ALA HA H 1 3.947 0.030 . 1 . . . . 28 ALA HA . 11332 1 281 . 1 1 28 28 ALA HB1 H 1 1.216 0.030 . 1 . . . . 28 ALA HB . 11332 1 282 . 1 1 28 28 ALA HB2 H 1 1.216 0.030 . 1 . . . . 28 ALA HB . 11332 1 283 . 1 1 28 28 ALA HB3 H 1 1.216 0.030 . 1 . . . . 28 ALA HB . 11332 1 284 . 1 1 28 28 ALA C C 13 177.797 0.300 . 1 . . . . 28 ALA C . 11332 1 285 . 1 1 28 28 ALA CA C 13 53.728 0.300 . 1 . . . . 28 ALA CA . 11332 1 286 . 1 1 28 28 ALA CB C 13 20.045 0.300 . 1 . . . . 28 ALA CB . 11332 1 287 . 1 1 28 28 ALA N N 15 122.039 0.300 . 1 . . . . 28 ALA N . 11332 1 288 . 1 1 29 29 THR H H 1 9.565 0.030 . 1 . . . . 29 THR H . 11332 1 289 . 1 1 29 29 THR HA H 1 4.573 0.030 . 1 . . . . 29 THR HA . 11332 1 290 . 1 1 29 29 THR HB H 1 3.956 0.030 . 1 . . . . 29 THR HB . 11332 1 291 . 1 1 29 29 THR HG21 H 1 1.198 0.030 . 1 . . . . 29 THR HG2 . 11332 1 292 . 1 1 29 29 THR HG22 H 1 1.198 0.030 . 1 . . . . 29 THR HG2 . 11332 1 293 . 1 1 29 29 THR HG23 H 1 1.198 0.030 . 1 . . . . 29 THR HG2 . 11332 1 294 . 1 1 29 29 THR C C 13 172.063 0.300 . 1 . . . . 29 THR C . 11332 1 295 . 1 1 29 29 THR CA C 13 62.703 0.300 . 1 . . . . 29 THR CA . 11332 1 296 . 1 1 29 29 THR CB C 13 72.134 0.300 . 1 . . . . 29 THR CB . 11332 1 297 . 1 1 29 29 THR CG2 C 13 20.534 0.300 . 1 . . . . 29 THR CG2 . 11332 1 298 . 1 1 29 29 THR N N 15 122.200 0.300 . 1 . . . . 29 THR N . 11332 1 299 . 1 1 30 30 THR H H 1 8.948 0.030 . 1 . . . . 30 THR H . 11332 1 300 . 1 1 30 30 THR HA H 1 4.884 0.030 . 1 . . . . 30 THR HA . 11332 1 301 . 1 1 30 30 THR HB H 1 3.711 0.030 . 1 . . . . 30 THR HB . 11332 1 302 . 1 1 30 30 THR HG21 H 1 0.929 0.030 . 1 . . . . 30 THR HG2 . 11332 1 303 . 1 1 30 30 THR HG22 H 1 0.929 0.030 . 1 . . . . 30 THR HG2 . 11332 1 304 . 1 1 30 30 THR HG23 H 1 0.929 0.030 . 1 . . . . 30 THR HG2 . 11332 1 305 . 1 1 30 30 THR C C 13 174.443 0.300 . 1 . . . . 30 THR C . 11332 1 306 . 1 1 30 30 THR CA C 13 61.863 0.300 . 1 . . . . 30 THR CA . 11332 1 307 . 1 1 30 30 THR CB C 13 71.092 0.300 . 1 . . . . 30 THR CB . 11332 1 308 . 1 1 30 30 THR CG2 C 13 21.929 0.300 . 1 . . . . 30 THR CG2 . 11332 1 309 . 1 1 30 30 THR N N 15 125.128 0.300 . 1 . . . . 30 THR N . 11332 1 310 . 1 1 31 31 ILE H H 1 9.067 0.030 . 1 . . . . 31 ILE H . 11332 1 311 . 1 1 31 31 ILE HA H 1 4.279 0.030 . 1 . . . . 31 ILE HA . 11332 1 312 . 1 1 31 31 ILE HB H 1 2.611 0.030 . 1 . . . . 31 ILE HB . 11332 1 313 . 1 1 31 31 ILE HD11 H 1 1.267 0.030 . 1 . . . . 31 ILE HD1 . 11332 1 314 . 1 1 31 31 ILE HD12 H 1 1.267 0.030 . 1 . . . . 31 ILE HD1 . 11332 1 315 . 1 1 31 31 ILE HD13 H 1 1.267 0.030 . 1 . . . . 31 ILE HD1 . 11332 1 316 . 1 1 31 31 ILE HG12 H 1 2.041 0.030 . 2 . . . . 31 ILE HG12 . 11332 1 317 . 1 1 31 31 ILE HG13 H 1 1.439 0.030 . 2 . . . . 31 ILE HG13 . 11332 1 318 . 1 1 31 31 ILE HG21 H 1 1.385 0.030 . 1 . . . . 31 ILE HG2 . 11332 1 319 . 1 1 31 31 ILE HG22 H 1 1.385 0.030 . 1 . . . . 31 ILE HG2 . 11332 1 320 . 1 1 31 31 ILE HG23 H 1 1.385 0.030 . 1 . . . . 31 ILE HG2 . 11332 1 321 . 1 1 31 31 ILE C C 13 177.019 0.300 . 1 . . . . 31 ILE C . 11332 1 322 . 1 1 31 31 ILE CA C 13 61.735 0.300 . 1 . . . . 31 ILE CA . 11332 1 323 . 1 1 31 31 ILE CB C 13 37.791 0.300 . 1 . . . . 31 ILE CB . 11332 1 324 . 1 1 31 31 ILE CD1 C 13 13.876 0.300 . 1 . . . . 31 ILE CD1 . 11332 1 325 . 1 1 31 31 ILE CG1 C 13 27.748 0.300 . 1 . . . . 31 ILE CG1 . 11332 1 326 . 1 1 31 31 ILE CG2 C 13 20.986 0.300 . 1 . . . . 31 ILE CG2 . 11332 1 327 . 1 1 31 31 ILE N N 15 129.684 0.300 . 1 . . . . 31 ILE N . 11332 1 328 . 1 1 32 32 THR H H 1 8.649 0.030 . 1 . . . . 32 THR H . 11332 1 329 . 1 1 32 32 THR HA H 1 3.750 0.030 . 1 . . . . 32 THR HA . 11332 1 330 . 1 1 32 32 THR HB H 1 4.111 0.030 . 1 . . . . 32 THR HB . 11332 1 331 . 1 1 32 32 THR HG21 H 1 1.215 0.030 . 1 . . . . 32 THR HG2 . 11332 1 332 . 1 1 32 32 THR HG22 H 1 1.215 0.030 . 1 . . . . 32 THR HG2 . 11332 1 333 . 1 1 32 32 THR HG23 H 1 1.215 0.030 . 1 . . . . 32 THR HG2 . 11332 1 334 . 1 1 32 32 THR C C 13 175.828 0.300 . 1 . . . . 32 THR C . 11332 1 335 . 1 1 32 32 THR CA C 13 66.422 0.300 . 1 . . . . 32 THR CA . 11332 1 336 . 1 1 32 32 THR CB C 13 68.736 0.300 . 1 . . . . 32 THR CB . 11332 1 337 . 1 1 32 32 THR CG2 C 13 22.220 0.300 . 1 . . . . 32 THR CG2 . 11332 1 338 . 1 1 32 32 THR N N 15 124.318 0.300 . 1 . . . . 32 THR N . 11332 1 339 . 1 1 33 33 GLU H H 1 9.455 0.030 . 1 . . . . 33 GLU H . 11332 1 340 . 1 1 33 33 GLU HA H 1 3.916 0.030 . 1 . . . . 33 GLU HA . 11332 1 341 . 1 1 33 33 GLU HB2 H 1 1.849 0.030 . 2 . . . . 33 GLU HB2 . 11332 1 342 . 1 1 33 33 GLU HB3 H 1 2.056 0.030 . 2 . . . . 33 GLU HB3 . 11332 1 343 . 1 1 33 33 GLU HG2 H 1 2.653 0.030 . 2 . . . . 33 GLU HG2 . 11332 1 344 . 1 1 33 33 GLU HG3 H 1 2.363 0.030 . 2 . . . . 33 GLU HG3 . 11332 1 345 . 1 1 33 33 GLU C C 13 176.979 0.300 . 1 . . . . 33 GLU C . 11332 1 346 . 1 1 33 33 GLU CA C 13 61.300 0.300 . 1 . . . . 33 GLU CA . 11332 1 347 . 1 1 33 33 GLU CB C 13 29.966 0.300 . 1 . . . . 33 GLU CB . 11332 1 348 . 1 1 33 33 GLU CG C 13 37.920 0.300 . 1 . . . . 33 GLU CG . 11332 1 349 . 1 1 33 33 GLU N N 15 119.475 0.300 . 1 . . . . 33 GLU N . 11332 1 350 . 1 1 34 34 CYS H H 1 7.108 0.030 . 1 . . . . 34 CYS H . 11332 1 351 . 1 1 34 34 CYS HA H 1 4.641 0.030 . 1 . . . . 34 CYS HA . 11332 1 352 . 1 1 34 34 CYS HB2 H 1 2.664 0.030 . 2 . . . . 34 CYS HB2 . 11332 1 353 . 1 1 34 34 CYS HB3 H 1 2.597 0.030 . 2 . . . . 34 CYS HB3 . 11332 1 354 . 1 1 34 34 CYS C C 13 174.895 0.300 . 1 . . . . 34 CYS C . 11332 1 355 . 1 1 34 34 CYS CA C 13 56.917 0.300 . 1 . . . . 34 CYS CA . 11332 1 356 . 1 1 34 34 CYS CB C 13 33.827 0.300 . 1 . . . . 34 CYS CB . 11332 1 357 . 1 1 34 34 CYS N N 15 111.644 0.300 . 1 . . . . 34 CYS N . 11332 1 358 . 1 1 35 35 LEU H H 1 8.122 0.030 . 1 . . . . 35 LEU H . 11332 1 359 . 1 1 35 35 LEU HA H 1 3.850 0.030 . 1 . . . . 35 LEU HA . 11332 1 360 . 1 1 35 35 LEU HB2 H 1 1.943 0.030 . 2 . . . . 35 LEU HB2 . 11332 1 361 . 1 1 35 35 LEU HB3 H 1 1.524 0.030 . 2 . . . . 35 LEU HB3 . 11332 1 362 . 1 1 35 35 LEU HD11 H 1 0.828 0.030 . 1 . . . . 35 LEU HD1 . 11332 1 363 . 1 1 35 35 LEU HD12 H 1 0.828 0.030 . 1 . . . . 35 LEU HD1 . 11332 1 364 . 1 1 35 35 LEU HD13 H 1 0.828 0.030 . 1 . . . . 35 LEU HD1 . 11332 1 365 . 1 1 35 35 LEU HD21 H 1 0.793 0.030 . 1 . . . . 35 LEU HD2 . 11332 1 366 . 1 1 35 35 LEU HD22 H 1 0.793 0.030 . 1 . . . . 35 LEU HD2 . 11332 1 367 . 1 1 35 35 LEU HD23 H 1 0.793 0.030 . 1 . . . . 35 LEU HD2 . 11332 1 368 . 1 1 35 35 LEU HG H 1 1.380 0.030 . 1 . . . . 35 LEU HG . 11332 1 369 . 1 1 35 35 LEU C C 13 176.465 0.300 . 1 . . . . 35 LEU C . 11332 1 370 . 1 1 35 35 LEU CA C 13 56.601 0.300 . 1 . . . . 35 LEU CA . 11332 1 371 . 1 1 35 35 LEU CB C 13 38.016 0.300 . 1 . . . . 35 LEU CB . 11332 1 372 . 1 1 35 35 LEU CD1 C 13 25.397 0.300 . 2 . . . . 35 LEU CD1 . 11332 1 373 . 1 1 35 35 LEU CD2 C 13 23.104 0.300 . 2 . . . . 35 LEU CD2 . 11332 1 374 . 1 1 35 35 LEU CG C 13 27.073 0.300 . 1 . . . . 35 LEU CG . 11332 1 375 . 1 1 35 35 LEU N N 15 117.653 0.300 . 1 . . . . 35 LEU N . 11332 1 376 . 1 1 36 36 HIS H H 1 8.212 0.030 . 1 . . . . 36 HIS H . 11332 1 377 . 1 1 36 36 HIS HA H 1 4.649 0.030 . 1 . . . . 36 HIS HA . 11332 1 378 . 1 1 36 36 HIS HB2 H 1 2.827 0.030 . 2 . . . . 36 HIS HB2 . 11332 1 379 . 1 1 36 36 HIS HB3 H 1 3.568 0.030 . 2 . . . . 36 HIS HB3 . 11332 1 380 . 1 1 36 36 HIS HD2 H 1 7.216 0.030 . 1 . . . . 36 HIS HD2 . 11332 1 381 . 1 1 36 36 HIS HE1 H 1 7.875 0.030 . 1 . . . . 36 HIS HE1 . 11332 1 382 . 1 1 36 36 HIS C C 13 174.021 0.300 . 1 . . . . 36 HIS C . 11332 1 383 . 1 1 36 36 HIS CA C 13 59.269 0.300 . 1 . . . . 36 HIS CA . 11332 1 384 . 1 1 36 36 HIS CB C 13 31.015 0.300 . 1 . . . . 36 HIS CB . 11332 1 385 . 1 1 36 36 HIS CD2 C 13 118.458 0.300 . 1 . . . . 36 HIS CD2 . 11332 1 386 . 1 1 36 36 HIS CE1 C 13 138.150 0.300 . 1 . . . . 36 HIS CE1 . 11332 1 387 . 1 1 36 36 HIS N N 15 121.781 0.300 . 1 . . . . 36 HIS N . 11332 1 388 . 1 1 37 37 THR H H 1 7.955 0.030 . 1 . . . . 37 THR H . 11332 1 389 . 1 1 37 37 THR HA H 1 5.155 0.030 . 1 . . . . 37 THR HA . 11332 1 390 . 1 1 37 37 THR HB H 1 3.528 0.030 . 1 . . . . 37 THR HB . 11332 1 391 . 1 1 37 37 THR HG21 H 1 1.022 0.030 . 1 . . . . 37 THR HG2 . 11332 1 392 . 1 1 37 37 THR HG22 H 1 1.022 0.030 . 1 . . . . 37 THR HG2 . 11332 1 393 . 1 1 37 37 THR HG23 H 1 1.022 0.030 . 1 . . . . 37 THR HG2 . 11332 1 394 . 1 1 37 37 THR C C 13 172.132 0.300 . 1 . . . . 37 THR C . 11332 1 395 . 1 1 37 37 THR CA C 13 61.888 0.300 . 1 . . . . 37 THR CA . 11332 1 396 . 1 1 37 37 THR CB C 13 71.268 0.300 . 1 . . . . 37 THR CB . 11332 1 397 . 1 1 37 37 THR CG2 C 13 22.292 0.300 . 1 . . . . 37 THR CG2 . 11332 1 398 . 1 1 37 37 THR N N 15 118.000 0.300 . 1 . . . . 37 THR N . 11332 1 399 . 1 1 38 38 PHE H H 1 8.718 0.030 . 1 . . . . 38 PHE H . 11332 1 400 . 1 1 38 38 PHE HA H 1 5.081 0.030 . 1 . . . . 38 PHE HA . 11332 1 401 . 1 1 38 38 PHE HB2 H 1 2.294 0.030 . 2 . . . . 38 PHE HB2 . 11332 1 402 . 1 1 38 38 PHE HB3 H 1 3.430 0.030 . 2 . . . . 38 PHE HB3 . 11332 1 403 . 1 1 38 38 PHE HD1 H 1 7.270 0.030 . 1 . . . . 38 PHE HD1 . 11332 1 404 . 1 1 38 38 PHE HD2 H 1 7.270 0.030 . 1 . . . . 38 PHE HD2 . 11332 1 405 . 1 1 38 38 PHE HE1 H 1 7.184 0.030 . 1 . . . . 38 PHE HE1 . 11332 1 406 . 1 1 38 38 PHE HE2 H 1 7.184 0.030 . 1 . . . . 38 PHE HE2 . 11332 1 407 . 1 1 38 38 PHE C C 13 174.666 0.300 . 1 . . . . 38 PHE C . 11332 1 408 . 1 1 38 38 PHE CA C 13 55.910 0.300 . 1 . . . . 38 PHE CA . 11332 1 409 . 1 1 38 38 PHE CB C 13 45.808 0.300 . 1 . . . . 38 PHE CB . 11332 1 410 . 1 1 38 38 PHE CD1 C 13 130.909 0.300 . 1 . . . . 38 PHE CD1 . 11332 1 411 . 1 1 38 38 PHE CD2 C 13 130.909 0.300 . 1 . . . . 38 PHE CD2 . 11332 1 412 . 1 1 38 38 PHE CE1 C 13 129.764 0.300 . 1 . . . . 38 PHE CE1 . 11332 1 413 . 1 1 38 38 PHE CE2 C 13 129.764 0.300 . 1 . . . . 38 PHE CE2 . 11332 1 414 . 1 1 38 38 PHE N N 15 122.991 0.300 . 1 . . . . 38 PHE N . 11332 1 415 . 1 1 39 39 CYS H H 1 8.876 0.030 . 1 . . . . 39 CYS H . 11332 1 416 . 1 1 39 39 CYS HA H 1 4.268 0.030 . 1 . . . . 39 CYS HA . 11332 1 417 . 1 1 39 39 CYS HB2 H 1 3.404 0.030 . 2 . . . . 39 CYS HB2 . 11332 1 418 . 1 1 39 39 CYS HB3 H 1 3.577 0.030 . 2 . . . . 39 CYS HB3 . 11332 1 419 . 1 1 39 39 CYS C C 13 177.900 0.300 . 1 . . . . 39 CYS C . 11332 1 420 . 1 1 39 39 CYS CA C 13 60.501 0.300 . 1 . . . . 39 CYS CA . 11332 1 421 . 1 1 39 39 CYS CB C 13 31.647 0.300 . 1 . . . . 39 CYS CB . 11332 1 422 . 1 1 39 39 CYS N N 15 124.523 0.300 . 1 . . . . 39 CYS N . 11332 1 423 . 1 1 40 40 LYS H H 1 7.914 0.030 . 1 . . . . 40 LYS H . 11332 1 424 . 1 1 40 40 LYS HA H 1 3.980 0.030 . 1 . . . . 40 LYS HA . 11332 1 425 . 1 1 40 40 LYS HB2 H 1 1.891 0.030 . 2 . . . . 40 LYS HB2 . 11332 1 426 . 1 1 40 40 LYS HB3 H 1 2.393 0.030 . 2 . . . . 40 LYS HB3 . 11332 1 427 . 1 1 40 40 LYS HD2 H 1 1.719 0.030 . 1 . . . . 40 LYS HD2 . 11332 1 428 . 1 1 40 40 LYS HD3 H 1 1.719 0.030 . 1 . . . . 40 LYS HD3 . 11332 1 429 . 1 1 40 40 LYS HE2 H 1 2.942 0.030 . 1 . . . . 40 LYS HE2 . 11332 1 430 . 1 1 40 40 LYS HE3 H 1 2.942 0.030 . 1 . . . . 40 LYS HE3 . 11332 1 431 . 1 1 40 40 LYS HG2 H 1 1.433 0.030 . 2 . . . . 40 LYS HG2 . 11332 1 432 . 1 1 40 40 LYS HG3 H 1 1.368 0.030 . 2 . . . . 40 LYS HG3 . 11332 1 433 . 1 1 40 40 LYS C C 13 178.283 0.300 . 1 . . . . 40 LYS C . 11332 1 434 . 1 1 40 40 LYS CA C 13 60.664 0.300 . 1 . . . . 40 LYS CA . 11332 1 435 . 1 1 40 40 LYS CB C 13 32.546 0.300 . 1 . . . . 40 LYS CB . 11332 1 436 . 1 1 40 40 LYS CD C 13 29.214 0.300 . 1 . . . . 40 LYS CD . 11332 1 437 . 1 1 40 40 LYS CE C 13 42.084 0.300 . 1 . . . . 40 LYS CE . 11332 1 438 . 1 1 40 40 LYS CG C 13 24.622 0.300 . 1 . . . . 40 LYS CG . 11332 1 439 . 1 1 40 40 LYS N N 15 124.158 0.300 . 1 . . . . 40 LYS N . 11332 1 440 . 1 1 41 41 SER H H 1 9.023 0.030 . 1 . . . . 41 SER H . 11332 1 441 . 1 1 41 41 SER HA H 1 4.090 0.030 . 1 . . . . 41 SER HA . 11332 1 442 . 1 1 41 41 SER HB2 H 1 3.964 0.030 . 2 . . . . 41 SER HB2 . 11332 1 443 . 1 1 41 41 SER HB3 H 1 3.927 0.030 . 2 . . . . 41 SER HB3 . 11332 1 444 . 1 1 41 41 SER C C 13 177.558 0.300 . 1 . . . . 41 SER C . 11332 1 445 . 1 1 41 41 SER CA C 13 61.483 0.300 . 1 . . . . 41 SER CA . 11332 1 446 . 1 1 41 41 SER CB C 13 62.562 0.300 . 1 . . . . 41 SER CB . 11332 1 447 . 1 1 41 41 SER N N 15 110.597 0.300 . 1 . . . . 41 SER N . 11332 1 448 . 1 1 42 42 CYS HA H 1 3.956 0.030 . 1 . . . . 42 CYS HA . 11332 1 449 . 1 1 42 42 CYS HB2 H 1 2.874 0.030 . 2 . . . . 42 CYS HB2 . 11332 1 450 . 1 1 42 42 CYS HB3 H 1 2.987 0.030 . 2 . . . . 42 CYS HB3 . 11332 1 451 . 1 1 42 42 CYS C C 13 177.940 0.300 . 1 . . . . 42 CYS C . 11332 1 452 . 1 1 42 42 CYS CA C 13 63.793 0.300 . 1 . . . . 42 CYS CA . 11332 1 453 . 1 1 42 42 CYS CB C 13 29.837 0.300 . 1 . . . . 42 CYS CB . 11332 1 454 . 1 1 43 43 ILE H H 1 8.257 0.030 . 1 . . . . 43 ILE H . 11332 1 455 . 1 1 43 43 ILE HA H 1 3.824 0.030 . 1 . . . . 43 ILE HA . 11332 1 456 . 1 1 43 43 ILE HB H 1 1.353 0.030 . 1 . . . . 43 ILE HB . 11332 1 457 . 1 1 43 43 ILE HD11 H 1 -0.108 0.030 . 1 . . . . 43 ILE HD1 . 11332 1 458 . 1 1 43 43 ILE HD12 H 1 -0.108 0.030 . 1 . . . . 43 ILE HD1 . 11332 1 459 . 1 1 43 43 ILE HD13 H 1 -0.108 0.030 . 1 . . . . 43 ILE HD1 . 11332 1 460 . 1 1 43 43 ILE HG12 H 1 0.780 0.030 . 2 . . . . 43 ILE HG12 . 11332 1 461 . 1 1 43 43 ILE HG13 H 1 0.720 0.030 . 2 . . . . 43 ILE HG13 . 11332 1 462 . 1 1 43 43 ILE HG21 H 1 1.058 0.030 . 1 . . . . 43 ILE HG2 . 11332 1 463 . 1 1 43 43 ILE HG22 H 1 1.058 0.030 . 1 . . . . 43 ILE HG2 . 11332 1 464 . 1 1 43 43 ILE HG23 H 1 1.058 0.030 . 1 . . . . 43 ILE HG2 . 11332 1 465 . 1 1 43 43 ILE C C 13 175.672 0.300 . 1 . . . . 43 ILE C . 11332 1 466 . 1 1 43 43 ILE CA C 13 59.989 0.300 . 1 . . . . 43 ILE CA . 11332 1 467 . 1 1 43 43 ILE CB C 13 38.575 0.300 . 1 . . . . 43 ILE CB . 11332 1 468 . 1 1 43 43 ILE CD1 C 13 14.126 0.300 . 1 . . . . 43 ILE CD1 . 11332 1 469 . 1 1 43 43 ILE CG1 C 13 29.502 0.300 . 1 . . . . 43 ILE CG1 . 11332 1 470 . 1 1 43 43 ILE CG2 C 13 19.156 0.300 . 1 . . . . 43 ILE CG2 . 11332 1 471 . 1 1 43 43 ILE N N 15 120.667 0.300 . 1 . . . . 43 ILE N . 11332 1 472 . 1 1 44 44 VAL H H 1 8.304 0.030 . 1 . . . . 44 VAL H . 11332 1 473 . 1 1 44 44 VAL HA H 1 3.619 0.030 . 1 . . . . 44 VAL HA . 11332 1 474 . 1 1 44 44 VAL HB H 1 2.053 0.030 . 1 . . . . 44 VAL HB . 11332 1 475 . 1 1 44 44 VAL HG11 H 1 0.905 0.030 . 1 . . . . 44 VAL HG1 . 11332 1 476 . 1 1 44 44 VAL HG12 H 1 0.905 0.030 . 1 . . . . 44 VAL HG1 . 11332 1 477 . 1 1 44 44 VAL HG13 H 1 0.905 0.030 . 1 . . . . 44 VAL HG1 . 11332 1 478 . 1 1 44 44 VAL HG21 H 1 1.087 0.030 . 1 . . . . 44 VAL HG2 . 11332 1 479 . 1 1 44 44 VAL HG22 H 1 1.087 0.030 . 1 . . . . 44 VAL HG2 . 11332 1 480 . 1 1 44 44 VAL HG23 H 1 1.087 0.030 . 1 . . . . 44 VAL HG2 . 11332 1 481 . 1 1 44 44 VAL C C 13 178.541 0.300 . 1 . . . . 44 VAL C . 11332 1 482 . 1 1 44 44 VAL CA C 13 66.918 0.300 . 1 . . . . 44 VAL CA . 11332 1 483 . 1 1 44 44 VAL CB C 13 31.611 0.300 . 1 . . . . 44 VAL CB . 11332 1 484 . 1 1 44 44 VAL CG1 C 13 21.092 0.300 . 2 . . . . 44 VAL CG1 . 11332 1 485 . 1 1 44 44 VAL CG2 C 13 23.721 0.300 . 2 . . . . 44 VAL CG2 . 11332 1 486 . 1 1 44 44 VAL N N 15 123.724 0.300 . 1 . . . . 44 VAL N . 11332 1 487 . 1 1 45 45 ARG H H 1 7.125 0.030 . 1 . . . . 45 ARG H . 11332 1 488 . 1 1 45 45 ARG HA H 1 3.689 0.030 . 1 . . . . 45 ARG HA . 11332 1 489 . 1 1 45 45 ARG HB2 H 1 1.882 0.030 . 1 . . . . 45 ARG HB2 . 11332 1 490 . 1 1 45 45 ARG HB3 H 1 1.882 0.030 . 1 . . . . 45 ARG HB3 . 11332 1 491 . 1 1 45 45 ARG HD2 H 1 3.258 0.030 . 1 . . . . 45 ARG HD2 . 11332 1 492 . 1 1 45 45 ARG HD3 H 1 3.258 0.030 . 1 . . . . 45 ARG HD3 . 11332 1 493 . 1 1 45 45 ARG HG2 H 1 1.836 0.030 . 2 . . . . 45 ARG HG2 . 11332 1 494 . 1 1 45 45 ARG HG3 H 1 1.687 0.030 . 2 . . . . 45 ARG HG3 . 11332 1 495 . 1 1 45 45 ARG C C 13 178.921 0.300 . 1 . . . . 45 ARG C . 11332 1 496 . 1 1 45 45 ARG CA C 13 58.649 0.300 . 1 . . . . 45 ARG CA . 11332 1 497 . 1 1 45 45 ARG CB C 13 29.898 0.300 . 1 . . . . 45 ARG CB . 11332 1 498 . 1 1 45 45 ARG CD C 13 43.540 0.300 . 1 . . . . 45 ARG CD . 11332 1 499 . 1 1 45 45 ARG CG C 13 27.898 0.300 . 1 . . . . 45 ARG CG . 11332 1 500 . 1 1 45 45 ARG N N 15 116.853 0.300 . 1 . . . . 45 ARG N . 11332 1 501 . 1 1 46 46 HIS H H 1 7.661 0.030 . 1 . . . . 46 HIS H . 11332 1 502 . 1 1 46 46 HIS HA H 1 4.245 0.030 . 1 . . . . 46 HIS HA . 11332 1 503 . 1 1 46 46 HIS HB2 H 1 2.958 0.030 . 2 . . . . 46 HIS HB2 . 11332 1 504 . 1 1 46 46 HIS HB3 H 1 2.828 0.030 . 2 . . . . 46 HIS HB3 . 11332 1 505 . 1 1 46 46 HIS HD2 H 1 6.277 0.030 . 1 . . . . 46 HIS HD2 . 11332 1 506 . 1 1 46 46 HIS HE1 H 1 7.732 0.030 . 1 . . . . 46 HIS HE1 . 11332 1 507 . 1 1 46 46 HIS C C 13 178.252 0.300 . 1 . . . . 46 HIS C . 11332 1 508 . 1 1 46 46 HIS CA C 13 60.375 0.300 . 1 . . . . 46 HIS CA . 11332 1 509 . 1 1 46 46 HIS CB C 13 31.278 0.300 . 1 . . . . 46 HIS CB . 11332 1 510 . 1 1 46 46 HIS CD2 C 13 117.814 0.300 . 1 . . . . 46 HIS CD2 . 11332 1 511 . 1 1 46 46 HIS CE1 C 13 138.422 0.300 . 1 . . . . 46 HIS CE1 . 11332 1 512 . 1 1 46 46 HIS N N 15 119.535 0.300 . 1 . . . . 46 HIS N . 11332 1 513 . 1 1 47 47 PHE H H 1 8.110 0.030 . 1 . . . . 47 PHE H . 11332 1 514 . 1 1 47 47 PHE HA H 1 5.547 0.030 . 1 . . . . 47 PHE HA . 11332 1 515 . 1 1 47 47 PHE HB2 H 1 3.140 0.030 . 2 . . . . 47 PHE HB2 . 11332 1 516 . 1 1 47 47 PHE HB3 H 1 3.373 0.030 . 2 . . . . 47 PHE HB3 . 11332 1 517 . 1 1 47 47 PHE HD1 H 1 7.492 0.030 . 1 . . . . 47 PHE HD1 . 11332 1 518 . 1 1 47 47 PHE HD2 H 1 7.492 0.030 . 1 . . . . 47 PHE HD2 . 11332 1 519 . 1 1 47 47 PHE HE1 H 1 7.071 0.030 . 1 . . . . 47 PHE HE1 . 11332 1 520 . 1 1 47 47 PHE HE2 H 1 7.071 0.030 . 1 . . . . 47 PHE HE2 . 11332 1 521 . 1 1 47 47 PHE HZ H 1 6.985 0.030 . 1 . . . . 47 PHE HZ . 11332 1 522 . 1 1 47 47 PHE C C 13 177.495 0.300 . 1 . . . . 47 PHE C . 11332 1 523 . 1 1 47 47 PHE CA C 13 56.061 0.300 . 1 . . . . 47 PHE CA . 11332 1 524 . 1 1 47 47 PHE CB C 13 37.831 0.300 . 1 . . . . 47 PHE CB . 11332 1 525 . 1 1 47 47 PHE CD1 C 13 131.012 0.300 . 1 . . . . 47 PHE CD1 . 11332 1 526 . 1 1 47 47 PHE CD2 C 13 131.012 0.300 . 1 . . . . 47 PHE CD2 . 11332 1 527 . 1 1 47 47 PHE CE1 C 13 130.524 0.300 . 1 . . . . 47 PHE CE1 . 11332 1 528 . 1 1 47 47 PHE CE2 C 13 130.524 0.300 . 1 . . . . 47 PHE CE2 . 11332 1 529 . 1 1 47 47 PHE CZ C 13 128.665 0.300 . 1 . . . . 47 PHE CZ . 11332 1 530 . 1 1 47 47 PHE N N 15 115.876 0.300 . 1 . . . . 47 PHE N . 11332 1 531 . 1 1 48 48 TYR H H 1 7.558 0.030 . 1 . . . . 48 TYR H . 11332 1 532 . 1 1 48 48 TYR HA H 1 4.306 0.030 . 1 . . . . 48 TYR HA . 11332 1 533 . 1 1 48 48 TYR HB2 H 1 2.558 0.030 . 2 . . . . 48 TYR HB2 . 11332 1 534 . 1 1 48 48 TYR HB3 H 1 2.848 0.030 . 2 . . . . 48 TYR HB3 . 11332 1 535 . 1 1 48 48 TYR HD1 H 1 6.854 0.030 . 1 . . . . 48 TYR HD1 . 11332 1 536 . 1 1 48 48 TYR HD2 H 1 6.854 0.030 . 1 . . . . 48 TYR HD2 . 11332 1 537 . 1 1 48 48 TYR HE1 H 1 6.715 0.030 . 1 . . . . 48 TYR HE1 . 11332 1 538 . 1 1 48 48 TYR HE2 H 1 6.715 0.030 . 1 . . . . 48 TYR HE2 . 11332 1 539 . 1 1 48 48 TYR C C 13 177.386 0.300 . 1 . . . . 48 TYR C . 11332 1 540 . 1 1 48 48 TYR CA C 13 59.594 0.300 . 1 . . . . 48 TYR CA . 11332 1 541 . 1 1 48 48 TYR CB C 13 37.177 0.300 . 1 . . . . 48 TYR CB . 11332 1 542 . 1 1 48 48 TYR CD1 C 13 132.507 0.300 . 1 . . . . 48 TYR CD1 . 11332 1 543 . 1 1 48 48 TYR CD2 C 13 132.507 0.300 . 1 . . . . 48 TYR CD2 . 11332 1 544 . 1 1 48 48 TYR CE1 C 13 117.949 0.300 . 1 . . . . 48 TYR CE1 . 11332 1 545 . 1 1 48 48 TYR CE2 C 13 117.949 0.300 . 1 . . . . 48 TYR CE2 . 11332 1 546 . 1 1 48 48 TYR N N 15 119.374 0.300 . 1 . . . . 48 TYR N . 11332 1 547 . 1 1 49 49 TYR H H 1 7.367 0.030 . 1 . . . . 49 TYR H . 11332 1 548 . 1 1 49 49 TYR HA H 1 4.697 0.030 . 1 . . . . 49 TYR HA . 11332 1 549 . 1 1 49 49 TYR HB2 H 1 2.830 0.030 . 2 . . . . 49 TYR HB2 . 11332 1 550 . 1 1 49 49 TYR HB3 H 1 3.194 0.030 . 2 . . . . 49 TYR HB3 . 11332 1 551 . 1 1 49 49 TYR HD1 H 1 7.229 0.030 . 1 . . . . 49 TYR HD1 . 11332 1 552 . 1 1 49 49 TYR HD2 H 1 7.229 0.030 . 1 . . . . 49 TYR HD2 . 11332 1 553 . 1 1 49 49 TYR HE1 H 1 6.857 0.030 . 1 . . . . 49 TYR HE1 . 11332 1 554 . 1 1 49 49 TYR HE2 H 1 6.857 0.030 . 1 . . . . 49 TYR HE2 . 11332 1 555 . 1 1 49 49 TYR C C 13 175.147 0.300 . 1 . . . . 49 TYR C . 11332 1 556 . 1 1 49 49 TYR CA C 13 57.402 0.300 . 1 . . . . 49 TYR CA . 11332 1 557 . 1 1 49 49 TYR CB C 13 40.543 0.300 . 1 . . . . 49 TYR CB . 11332 1 558 . 1 1 49 49 TYR CD1 C 13 133.911 0.300 . 1 . . . . 49 TYR CD1 . 11332 1 559 . 1 1 49 49 TYR CD2 C 13 133.911 0.300 . 1 . . . . 49 TYR CD2 . 11332 1 560 . 1 1 49 49 TYR CE1 C 13 118.501 0.300 . 1 . . . . 49 TYR CE1 . 11332 1 561 . 1 1 49 49 TYR CE2 C 13 118.501 0.300 . 1 . . . . 49 TYR CE2 . 11332 1 562 . 1 1 49 49 TYR N N 15 113.298 0.300 . 1 . . . . 49 TYR N . 11332 1 563 . 1 1 50 50 SER H H 1 7.646 0.030 . 1 . . . . 50 SER H . 11332 1 564 . 1 1 50 50 SER HA H 1 4.614 0.030 . 1 . . . . 50 SER HA . 11332 1 565 . 1 1 50 50 SER HB2 H 1 2.550 0.030 . 2 . . . . 50 SER HB2 . 11332 1 566 . 1 1 50 50 SER HB3 H 1 3.488 0.030 . 2 . . . . 50 SER HB3 . 11332 1 567 . 1 1 50 50 SER C C 13 172.606 0.300 . 1 . . . . 50 SER C . 11332 1 568 . 1 1 50 50 SER CA C 13 56.043 0.300 . 1 . . . . 50 SER CA . 11332 1 569 . 1 1 50 50 SER CB C 13 64.192 0.300 . 1 . . . . 50 SER CB . 11332 1 570 . 1 1 50 50 SER N N 15 114.822 0.300 . 1 . . . . 50 SER N . 11332 1 571 . 1 1 51 51 ASN H H 1 7.983 0.030 . 1 . . . . 51 ASN H . 11332 1 572 . 1 1 51 51 ASN HA H 1 4.838 0.030 . 1 . . . . 51 ASN HA . 11332 1 573 . 1 1 51 51 ASN HB2 H 1 2.626 0.030 . 2 . . . . 51 ASN HB2 . 11332 1 574 . 1 1 51 51 ASN HB3 H 1 3.179 0.030 . 2 . . . . 51 ASN HB3 . 11332 1 575 . 1 1 51 51 ASN HD21 H 1 6.735 0.030 . 2 . . . . 51 ASN HD21 . 11332 1 576 . 1 1 51 51 ASN HD22 H 1 7.511 0.030 . 2 . . . . 51 ASN HD22 . 11332 1 577 . 1 1 51 51 ASN C C 13 173.591 0.300 . 1 . . . . 51 ASN C . 11332 1 578 . 1 1 51 51 ASN CA C 13 51.623 0.300 . 1 . . . . 51 ASN CA . 11332 1 579 . 1 1 51 51 ASN CB C 13 37.867 0.300 . 1 . . . . 51 ASN CB . 11332 1 580 . 1 1 51 51 ASN N N 15 122.007 0.300 . 1 . . . . 51 ASN N . 11332 1 581 . 1 1 51 51 ASN ND2 N 15 110.569 0.300 . 1 . . . . 51 ASN ND2 . 11332 1 582 . 1 1 52 52 ARG H H 1 8.174 0.030 . 1 . . . . 52 ARG H . 11332 1 583 . 1 1 52 52 ARG HA H 1 5.439 0.030 . 1 . . . . 52 ARG HA . 11332 1 584 . 1 1 52 52 ARG HB2 H 1 1.427 0.030 . 2 . . . . 52 ARG HB2 . 11332 1 585 . 1 1 52 52 ARG HB3 H 1 1.369 0.030 . 2 . . . . 52 ARG HB3 . 11332 1 586 . 1 1 52 52 ARG HD2 H 1 3.052 0.030 . 2 . . . . 52 ARG HD2 . 11332 1 587 . 1 1 52 52 ARG HD3 H 1 2.959 0.030 . 2 . . . . 52 ARG HD3 . 11332 1 588 . 1 1 52 52 ARG HG2 H 1 1.586 0.030 . 2 . . . . 52 ARG HG2 . 11332 1 589 . 1 1 52 52 ARG HG3 H 1 1.291 0.030 . 2 . . . . 52 ARG HG3 . 11332 1 590 . 1 1 52 52 ARG C C 13 176.449 0.300 . 1 . . . . 52 ARG C . 11332 1 591 . 1 1 52 52 ARG CA C 13 53.116 0.300 . 1 . . . . 52 ARG CA . 11332 1 592 . 1 1 52 52 ARG CB C 13 33.969 0.300 . 1 . . . . 52 ARG CB . 11332 1 593 . 1 1 52 52 ARG CD C 13 42.979 0.300 . 1 . . . . 52 ARG CD . 11332 1 594 . 1 1 52 52 ARG CG C 13 28.306 0.300 . 1 . . . . 52 ARG CG . 11332 1 595 . 1 1 52 52 ARG N N 15 116.745 0.300 . 1 . . . . 52 ARG N . 11332 1 596 . 1 1 53 53 CYS H H 1 8.846 0.030 . 1 . . . . 53 CYS H . 11332 1 597 . 1 1 53 53 CYS HA H 1 4.322 0.030 . 1 . . . . 53 CYS HA . 11332 1 598 . 1 1 53 53 CYS HB2 H 1 3.261 0.030 . 2 . . . . 53 CYS HB2 . 11332 1 599 . 1 1 53 53 CYS HB3 H 1 3.039 0.030 . 2 . . . . 53 CYS HB3 . 11332 1 600 . 1 1 53 53 CYS C C 13 176.887 0.300 . 1 . . . . 53 CYS C . 11332 1 601 . 1 1 53 53 CYS CA C 13 57.064 0.300 . 1 . . . . 53 CYS CA . 11332 1 602 . 1 1 53 53 CYS CB C 13 31.545 0.300 . 1 . . . . 53 CYS CB . 11332 1 603 . 1 1 53 53 CYS N N 15 124.098 0.300 . 1 . . . . 53 CYS N . 11332 1 604 . 1 1 54 54 PRO HA H 1 4.100 0.030 . 1 . . . . 54 PRO HA . 11332 1 605 . 1 1 54 54 PRO HB2 H 1 1.355 0.030 . 2 . . . . 54 PRO HB2 . 11332 1 606 . 1 1 54 54 PRO HB3 H 1 1.505 0.030 . 2 . . . . 54 PRO HB3 . 11332 1 607 . 1 1 54 54 PRO HD2 H 1 3.498 0.030 . 2 . . . . 54 PRO HD2 . 11332 1 608 . 1 1 54 54 PRO HD3 H 1 3.034 0.030 . 2 . . . . 54 PRO HD3 . 11332 1 609 . 1 1 54 54 PRO HG2 H 1 -0.023 0.030 . 2 . . . . 54 PRO HG2 . 11332 1 610 . 1 1 54 54 PRO HG3 H 1 0.726 0.030 . 2 . . . . 54 PRO HG3 . 11332 1 611 . 1 1 54 54 PRO C C 13 176.493 0.300 . 1 . . . . 54 PRO C . 11332 1 612 . 1 1 54 54 PRO CA C 13 64.184 0.300 . 1 . . . . 54 PRO CA . 11332 1 613 . 1 1 54 54 PRO CB C 13 31.542 0.300 . 1 . . . . 54 PRO CB . 11332 1 614 . 1 1 54 54 PRO CD C 13 50.380 0.300 . 1 . . . . 54 PRO CD . 11332 1 615 . 1 1 54 54 PRO CG C 13 25.654 0.300 . 1 . . . . 54 PRO CG . 11332 1 616 . 1 1 55 55 LYS H H 1 9.378 0.030 . 1 . . . . 55 LYS H . 11332 1 617 . 1 1 55 55 LYS HA H 1 4.348 0.030 . 1 . . . . 55 LYS HA . 11332 1 618 . 1 1 55 55 LYS HB2 H 1 1.441 0.030 . 1 . . . . 55 LYS HB2 . 11332 1 619 . 1 1 55 55 LYS HB3 H 1 1.441 0.030 . 1 . . . . 55 LYS HB3 . 11332 1 620 . 1 1 55 55 LYS HD2 H 1 1.017 0.030 . 2 . . . . 55 LYS HD2 . 11332 1 621 . 1 1 55 55 LYS HD3 H 1 1.328 0.030 . 2 . . . . 55 LYS HD3 . 11332 1 622 . 1 1 55 55 LYS HE2 H 1 2.748 0.030 . 1 . . . . 55 LYS HE2 . 11332 1 623 . 1 1 55 55 LYS HE3 H 1 2.748 0.030 . 1 . . . . 55 LYS HE3 . 11332 1 624 . 1 1 55 55 LYS HG2 H 1 1.126 0.030 . 2 . . . . 55 LYS HG2 . 11332 1 625 . 1 1 55 55 LYS HG3 H 1 0.822 0.030 . 2 . . . . 55 LYS HG3 . 11332 1 626 . 1 1 55 55 LYS C C 13 177.044 0.300 . 1 . . . . 55 LYS C . 11332 1 627 . 1 1 55 55 LYS CA C 13 57.778 0.300 . 1 . . . . 55 LYS CA . 11332 1 628 . 1 1 55 55 LYS CB C 13 33.891 0.300 . 1 . . . . 55 LYS CB . 11332 1 629 . 1 1 55 55 LYS CD C 13 28.532 0.300 . 1 . . . . 55 LYS CD . 11332 1 630 . 1 1 55 55 LYS CE C 13 41.812 0.300 . 1 . . . . 55 LYS CE . 11332 1 631 . 1 1 55 55 LYS CG C 13 24.657 0.300 . 1 . . . . 55 LYS CG . 11332 1 632 . 1 1 55 55 LYS N N 15 120.982 0.300 . 1 . . . . 55 LYS N . 11332 1 633 . 1 1 56 56 CYS H H 1 8.570 0.030 . 1 . . . . 56 CYS H . 11332 1 634 . 1 1 56 56 CYS HA H 1 5.016 0.030 . 1 . . . . 56 CYS HA . 11332 1 635 . 1 1 56 56 CYS HB2 H 1 2.703 0.030 . 2 . . . . 56 CYS HB2 . 11332 1 636 . 1 1 56 56 CYS HB3 H 1 3.399 0.030 . 2 . . . . 56 CYS HB3 . 11332 1 637 . 1 1 56 56 CYS C C 13 176.456 0.300 . 1 . . . . 56 CYS C . 11332 1 638 . 1 1 56 56 CYS CA C 13 58.822 0.300 . 1 . . . . 56 CYS CA . 11332 1 639 . 1 1 56 56 CYS CB C 13 32.512 0.300 . 1 . . . . 56 CYS CB . 11332 1 640 . 1 1 56 56 CYS N N 15 118.789 0.300 . 1 . . . . 56 CYS N . 11332 1 641 . 1 1 57 57 ASN H H 1 8.316 0.030 . 1 . . . . 57 ASN H . 11332 1 642 . 1 1 57 57 ASN HA H 1 4.556 0.030 . 1 . . . . 57 ASN HA . 11332 1 643 . 1 1 57 57 ASN HB2 H 1 2.613 0.030 . 2 . . . . 57 ASN HB2 . 11332 1 644 . 1 1 57 57 ASN HB3 H 1 3.263 0.030 . 2 . . . . 57 ASN HB3 . 11332 1 645 . 1 1 57 57 ASN HD21 H 1 7.658 0.030 . 2 . . . . 57 ASN HD21 . 11332 1 646 . 1 1 57 57 ASN HD22 H 1 6.885 0.030 . 2 . . . . 57 ASN HD22 . 11332 1 647 . 1 1 57 57 ASN C C 13 174.194 0.300 . 1 . . . . 57 ASN C . 11332 1 648 . 1 1 57 57 ASN CA C 13 55.031 0.300 . 1 . . . . 57 ASN CA . 11332 1 649 . 1 1 57 57 ASN CB C 13 40.002 0.300 . 1 . . . . 57 ASN CB . 11332 1 650 . 1 1 57 57 ASN N N 15 120.205 0.300 . 1 . . . . 57 ASN N . 11332 1 651 . 1 1 57 57 ASN ND2 N 15 112.715 0.300 . 1 . . . . 57 ASN ND2 . 11332 1 652 . 1 1 58 58 ILE H H 1 7.718 0.030 . 1 . . . . 58 ILE H . 11332 1 653 . 1 1 58 58 ILE HA H 1 4.280 0.030 . 1 . . . . 58 ILE HA . 11332 1 654 . 1 1 58 58 ILE HB H 1 2.026 0.030 . 1 . . . . 58 ILE HB . 11332 1 655 . 1 1 58 58 ILE HD11 H 1 0.878 0.030 . 1 . . . . 58 ILE HD1 . 11332 1 656 . 1 1 58 58 ILE HD12 H 1 0.878 0.030 . 1 . . . . 58 ILE HD1 . 11332 1 657 . 1 1 58 58 ILE HD13 H 1 0.878 0.030 . 1 . . . . 58 ILE HD1 . 11332 1 658 . 1 1 58 58 ILE HG12 H 1 1.454 0.030 . 1 . . . . 58 ILE HG12 . 11332 1 659 . 1 1 58 58 ILE HG13 H 1 1.454 0.030 . 1 . . . . 58 ILE HG13 . 11332 1 660 . 1 1 58 58 ILE HG21 H 1 0.978 0.030 . 1 . . . . 58 ILE HG2 . 11332 1 661 . 1 1 58 58 ILE HG22 H 1 0.978 0.030 . 1 . . . . 58 ILE HG2 . 11332 1 662 . 1 1 58 58 ILE HG23 H 1 0.978 0.030 . 1 . . . . 58 ILE HG2 . 11332 1 663 . 1 1 58 58 ILE C C 13 175.213 0.300 . 1 . . . . 58 ILE C . 11332 1 664 . 1 1 58 58 ILE CA C 13 62.383 0.300 . 1 . . . . 58 ILE CA . 11332 1 665 . 1 1 58 58 ILE CB C 13 39.213 0.300 . 1 . . . . 58 ILE CB . 11332 1 666 . 1 1 58 58 ILE CD1 C 13 14.846 0.300 . 1 . . . . 58 ILE CD1 . 11332 1 667 . 1 1 58 58 ILE CG1 C 13 27.741 0.300 . 1 . . . . 58 ILE CG1 . 11332 1 668 . 1 1 58 58 ILE CG2 C 13 18.435 0.300 . 1 . . . . 58 ILE CG2 . 11332 1 669 . 1 1 58 58 ILE N N 15 118.765 0.300 . 1 . . . . 58 ILE N . 11332 1 670 . 1 1 59 59 VAL H H 1 8.109 0.030 . 1 . . . . 59 VAL H . 11332 1 671 . 1 1 59 59 VAL HA H 1 3.857 0.030 . 1 . . . . 59 VAL HA . 11332 1 672 . 1 1 59 59 VAL HB H 1 1.802 0.030 . 1 . . . . 59 VAL HB . 11332 1 673 . 1 1 59 59 VAL HG11 H 1 0.629 0.030 . 1 . . . . 59 VAL HG1 . 11332 1 674 . 1 1 59 59 VAL HG12 H 1 0.629 0.030 . 1 . . . . 59 VAL HG1 . 11332 1 675 . 1 1 59 59 VAL HG13 H 1 0.629 0.030 . 1 . . . . 59 VAL HG1 . 11332 1 676 . 1 1 59 59 VAL HG21 H 1 0.919 0.030 . 1 . . . . 59 VAL HG2 . 11332 1 677 . 1 1 59 59 VAL HG22 H 1 0.919 0.030 . 1 . . . . 59 VAL HG2 . 11332 1 678 . 1 1 59 59 VAL HG23 H 1 0.919 0.030 . 1 . . . . 59 VAL HG2 . 11332 1 679 . 1 1 59 59 VAL C C 13 175.585 0.300 . 1 . . . . 59 VAL C . 11332 1 680 . 1 1 59 59 VAL CA C 13 64.088 0.300 . 1 . . . . 59 VAL CA . 11332 1 681 . 1 1 59 59 VAL CB C 13 31.700 0.300 . 1 . . . . 59 VAL CB . 11332 1 682 . 1 1 59 59 VAL CG1 C 13 21.111 0.300 . 2 . . . . 59 VAL CG1 . 11332 1 683 . 1 1 59 59 VAL CG2 C 13 21.790 0.300 . 2 . . . . 59 VAL CG2 . 11332 1 684 . 1 1 59 59 VAL N N 15 123.024 0.300 . 1 . . . . 59 VAL N . 11332 1 685 . 1 1 60 60 VAL H H 1 8.537 0.030 . 1 . . . . 60 VAL H . 11332 1 686 . 1 1 60 60 VAL HA H 1 3.975 0.030 . 1 . . . . 60 VAL HA . 11332 1 687 . 1 1 60 60 VAL HB H 1 1.752 0.030 . 1 . . . . 60 VAL HB . 11332 1 688 . 1 1 60 60 VAL HG11 H 1 0.852 0.030 . 1 . . . . 60 VAL HG1 . 11332 1 689 . 1 1 60 60 VAL HG12 H 1 0.852 0.030 . 1 . . . . 60 VAL HG1 . 11332 1 690 . 1 1 60 60 VAL HG13 H 1 0.852 0.030 . 1 . . . . 60 VAL HG1 . 11332 1 691 . 1 1 60 60 VAL HG21 H 1 0.938 0.030 . 1 . . . . 60 VAL HG2 . 11332 1 692 . 1 1 60 60 VAL HG22 H 1 0.938 0.030 . 1 . . . . 60 VAL HG2 . 11332 1 693 . 1 1 60 60 VAL HG23 H 1 0.938 0.030 . 1 . . . . 60 VAL HG2 . 11332 1 694 . 1 1 60 60 VAL C C 13 175.681 0.300 . 1 . . . . 60 VAL C . 11332 1 695 . 1 1 60 60 VAL CA C 13 61.408 0.300 . 1 . . . . 60 VAL CA . 11332 1 696 . 1 1 60 60 VAL CB C 13 32.944 0.300 . 1 . . . . 60 VAL CB . 11332 1 697 . 1 1 60 60 VAL CG1 C 13 21.752 0.300 . 2 . . . . 60 VAL CG1 . 11332 1 698 . 1 1 60 60 VAL CG2 C 13 21.385 0.300 . 2 . . . . 60 VAL CG2 . 11332 1 699 . 1 1 60 60 VAL N N 15 127.210 0.300 . 1 . . . . 60 VAL N . 11332 1 700 . 1 1 61 61 HIS H H 1 8.755 0.030 . 1 . . . . 61 HIS H . 11332 1 701 . 1 1 61 61 HIS HA H 1 4.506 0.030 . 1 . . . . 61 HIS HA . 11332 1 702 . 1 1 61 61 HIS HB2 H 1 3.000 0.030 . 2 . . . . 61 HIS HB2 . 11332 1 703 . 1 1 61 61 HIS HB3 H 1 3.113 0.030 . 2 . . . . 61 HIS HB3 . 11332 1 704 . 1 1 61 61 HIS HD2 H 1 7.007 0.030 . 1 . . . . 61 HIS HD2 . 11332 1 705 . 1 1 61 61 HIS C C 13 175.402 0.300 . 1 . . . . 61 HIS C . 11332 1 706 . 1 1 61 61 HIS CA C 13 56.669 0.300 . 1 . . . . 61 HIS CA . 11332 1 707 . 1 1 61 61 HIS CB C 13 30.674 0.300 . 1 . . . . 61 HIS CB . 11332 1 708 . 1 1 61 61 HIS CD2 C 13 119.966 0.300 . 1 . . . . 61 HIS CD2 . 11332 1 709 . 1 1 61 61 HIS N N 15 124.670 0.300 . 1 . . . . 61 HIS N . 11332 1 710 . 1 1 62 62 GLN H H 1 8.439 0.030 . 1 . . . . 62 GLN H . 11332 1 711 . 1 1 62 62 GLN HA H 1 4.333 0.030 . 1 . . . . 62 GLN HA . 11332 1 712 . 1 1 62 62 GLN HB2 H 1 1.879 0.030 . 2 . . . . 62 GLN HB2 . 11332 1 713 . 1 1 62 62 GLN HB3 H 1 2.021 0.030 . 2 . . . . 62 GLN HB3 . 11332 1 714 . 1 1 62 62 GLN HE21 H 1 6.542 0.030 . 2 . . . . 62 GLN HE21 . 11332 1 715 . 1 1 62 62 GLN HE22 H 1 7.377 0.030 . 2 . . . . 62 GLN HE22 . 11332 1 716 . 1 1 62 62 GLN HG2 H 1 2.224 0.030 . 1 . . . . 62 GLN HG2 . 11332 1 717 . 1 1 62 62 GLN HG3 H 1 2.224 0.030 . 1 . . . . 62 GLN HG3 . 11332 1 718 . 1 1 62 62 GLN C C 13 175.508 0.300 . 1 . . . . 62 GLN C . 11332 1 719 . 1 1 62 62 GLN CA C 13 55.609 0.300 . 1 . . . . 62 GLN CA . 11332 1 720 . 1 1 62 62 GLN CB C 13 29.708 0.300 . 1 . . . . 62 GLN CB . 11332 1 721 . 1 1 62 62 GLN CG C 13 33.742 0.300 . 1 . . . . 62 GLN CG . 11332 1 722 . 1 1 62 62 GLN N N 15 121.881 0.300 . 1 . . . . 62 GLN N . 11332 1 723 . 1 1 62 62 GLN NE2 N 15 111.931 0.300 . 1 . . . . 62 GLN NE2 . 11332 1 724 . 1 1 63 63 THR H H 1 8.108 0.030 . 1 . . . . 63 THR H . 11332 1 725 . 1 1 63 63 THR HA H 1 4.279 0.030 . 1 . . . . 63 THR HA . 11332 1 726 . 1 1 63 63 THR HB H 1 4.086 0.030 . 1 . . . . 63 THR HB . 11332 1 727 . 1 1 63 63 THR HG21 H 1 1.027 0.030 . 1 . . . . 63 THR HG2 . 11332 1 728 . 1 1 63 63 THR HG22 H 1 1.027 0.030 . 1 . . . . 63 THR HG2 . 11332 1 729 . 1 1 63 63 THR HG23 H 1 1.027 0.030 . 1 . . . . 63 THR HG2 . 11332 1 730 . 1 1 63 63 THR C C 13 174.378 0.300 . 1 . . . . 63 THR C . 11332 1 731 . 1 1 63 63 THR CA C 13 61.743 0.300 . 1 . . . . 63 THR CA . 11332 1 732 . 1 1 63 63 THR CB C 13 69.828 0.300 . 1 . . . . 63 THR CB . 11332 1 733 . 1 1 63 63 THR CG2 C 13 21.741 0.300 . 1 . . . . 63 THR CG2 . 11332 1 734 . 1 1 63 63 THR N N 15 114.782 0.300 . 1 . . . . 63 THR N . 11332 1 735 . 1 1 64 64 GLN H H 1 8.464 0.030 . 1 . . . . 64 GLN H . 11332 1 736 . 1 1 64 64 GLN HA H 1 4.644 0.030 . 1 . . . . 64 GLN HA . 11332 1 737 . 1 1 64 64 GLN HB2 H 1 1.933 0.030 . 2 . . . . 64 GLN HB2 . 11332 1 738 . 1 1 64 64 GLN HB3 H 1 2.074 0.030 . 2 . . . . 64 GLN HB3 . 11332 1 739 . 1 1 64 64 GLN HE21 H 1 7.515 0.030 . 2 . . . . 64 GLN HE21 . 11332 1 740 . 1 1 64 64 GLN HE22 H 1 6.892 0.030 . 2 . . . . 64 GLN HE22 . 11332 1 741 . 1 1 64 64 GLN HG2 H 1 2.328 0.030 . 1 . . . . 64 GLN HG2 . 11332 1 742 . 1 1 64 64 GLN HG3 H 1 2.328 0.030 . 1 . . . . 64 GLN HG3 . 11332 1 743 . 1 1 64 64 GLN C C 13 173.758 0.300 . 1 . . . . 64 GLN C . 11332 1 744 . 1 1 64 64 GLN CA C 13 54.009 0.300 . 1 . . . . 64 GLN CA . 11332 1 745 . 1 1 64 64 GLN CB C 13 29.000 0.300 . 1 . . . . 64 GLN CB . 11332 1 746 . 1 1 64 64 GLN CG C 13 33.410 0.300 . 1 . . . . 64 GLN CG . 11332 1 747 . 1 1 64 64 GLN N N 15 122.454 0.300 . 1 . . . . 64 GLN N . 11332 1 748 . 1 1 64 64 GLN NE2 N 15 112.440 0.300 . 1 . . . . 64 GLN NE2 . 11332 1 749 . 1 1 65 65 PRO HA H 1 4.452 0.030 . 1 . . . . 65 PRO HA . 11332 1 750 . 1 1 65 65 PRO HB2 H 1 1.868 0.030 . 2 . . . . 65 PRO HB2 . 11332 1 751 . 1 1 65 65 PRO HB3 H 1 2.275 0.030 . 2 . . . . 65 PRO HB3 . 11332 1 752 . 1 1 65 65 PRO HD2 H 1 3.625 0.030 . 2 . . . . 65 PRO HD2 . 11332 1 753 . 1 1 65 65 PRO HD3 H 1 3.733 0.030 . 2 . . . . 65 PRO HD3 . 11332 1 754 . 1 1 65 65 PRO HG2 H 1 1.995 0.030 . 1 . . . . 65 PRO HG2 . 11332 1 755 . 1 1 65 65 PRO HG3 H 1 1.995 0.030 . 1 . . . . 65 PRO HG3 . 11332 1 756 . 1 1 65 65 PRO C C 13 176.925 0.300 . 1 . . . . 65 PRO C . 11332 1 757 . 1 1 65 65 PRO CA C 13 63.123 0.300 . 1 . . . . 65 PRO CA . 11332 1 758 . 1 1 65 65 PRO CB C 13 32.089 0.300 . 1 . . . . 65 PRO CB . 11332 1 759 . 1 1 65 65 PRO CD C 13 50.564 0.300 . 1 . . . . 65 PRO CD . 11332 1 760 . 1 1 65 65 PRO CG C 13 27.234 0.300 . 1 . . . . 65 PRO CG . 11332 1 761 . 1 1 66 66 LEU H H 1 8.225 0.030 . 1 . . . . 66 LEU H . 11332 1 762 . 1 1 66 66 LEU HA H 1 4.362 0.030 . 1 . . . . 66 LEU HA . 11332 1 763 . 1 1 66 66 LEU HB2 H 1 1.558 0.030 . 2 . . . . 66 LEU HB2 . 11332 1 764 . 1 1 66 66 LEU HB3 H 1 1.614 0.030 . 2 . . . . 66 LEU HB3 . 11332 1 765 . 1 1 66 66 LEU HD11 H 1 0.837 0.030 . 1 . . . . 66 LEU HD1 . 11332 1 766 . 1 1 66 66 LEU HD12 H 1 0.837 0.030 . 1 . . . . 66 LEU HD1 . 11332 1 767 . 1 1 66 66 LEU HD13 H 1 0.837 0.030 . 1 . . . . 66 LEU HD1 . 11332 1 768 . 1 1 66 66 LEU HD21 H 1 0.890 0.030 . 1 . . . . 66 LEU HD2 . 11332 1 769 . 1 1 66 66 LEU HD22 H 1 0.890 0.030 . 1 . . . . 66 LEU HD2 . 11332 1 770 . 1 1 66 66 LEU HD23 H 1 0.890 0.030 . 1 . . . . 66 LEU HD2 . 11332 1 771 . 1 1 66 66 LEU HG H 1 1.632 0.030 . 1 . . . . 66 LEU HG . 11332 1 772 . 1 1 66 66 LEU C C 13 177.338 0.300 . 1 . . . . 66 LEU C . 11332 1 773 . 1 1 66 66 LEU CA C 13 55.157 0.300 . 1 . . . . 66 LEU CA . 11332 1 774 . 1 1 66 66 LEU CB C 13 42.402 0.300 . 1 . . . . 66 LEU CB . 11332 1 775 . 1 1 66 66 LEU CD1 C 13 23.531 0.300 . 2 . . . . 66 LEU CD1 . 11332 1 776 . 1 1 66 66 LEU CD2 C 13 25.000 0.300 . 2 . . . . 66 LEU CD2 . 11332 1 777 . 1 1 66 66 LEU CG C 13 27.021 0.300 . 1 . . . . 66 LEU CG . 11332 1 778 . 1 1 66 66 LEU N N 15 121.895 0.300 . 1 . . . . 66 LEU N . 11332 1 779 . 1 1 67 67 SER H H 1 8.254 0.030 . 1 . . . . 67 SER H . 11332 1 780 . 1 1 67 67 SER HA H 1 4.488 0.030 . 1 . . . . 67 SER HA . 11332 1 781 . 1 1 67 67 SER HB2 H 1 3.849 0.030 . 1 . . . . 67 SER HB2 . 11332 1 782 . 1 1 67 67 SER HB3 H 1 3.849 0.030 . 1 . . . . 67 SER HB3 . 11332 1 783 . 1 1 67 67 SER C C 13 174.410 0.300 . 1 . . . . 67 SER C . 11332 1 784 . 1 1 67 67 SER CA C 13 58.052 0.300 . 1 . . . . 67 SER CA . 11332 1 785 . 1 1 67 67 SER CB C 13 64.018 0.300 . 1 . . . . 67 SER CB . 11332 1 786 . 1 1 67 67 SER N N 15 115.769 0.300 . 1 . . . . 67 SER N . 11332 1 787 . 1 1 68 68 GLY H H 1 8.198 0.030 . 1 . . . . 68 GLY H . 11332 1 788 . 1 1 68 68 GLY HA2 H 1 4.071 0.030 . 2 . . . . 68 GLY HA2 . 11332 1 789 . 1 1 68 68 GLY HA3 H 1 4.157 0.030 . 2 . . . . 68 GLY HA3 . 11332 1 790 . 1 1 68 68 GLY C C 13 171.707 0.300 . 1 . . . . 68 GLY C . 11332 1 791 . 1 1 68 68 GLY CA C 13 44.675 0.300 . 1 . . . . 68 GLY CA . 11332 1 792 . 1 1 68 68 GLY N N 15 110.514 0.300 . 1 . . . . 68 GLY N . 11332 1 793 . 1 1 69 69 PRO HA H 1 4.452 0.030 . 1 . . . . 69 PRO HA . 11332 1 794 . 1 1 69 69 PRO HB2 H 1 1.961 0.030 . 1 . . . . 69 PRO HB2 . 11332 1 795 . 1 1 69 69 PRO HB3 H 1 1.961 0.030 . 1 . . . . 69 PRO HB3 . 11332 1 796 . 1 1 69 69 PRO HD2 H 1 3.596 0.030 . 1 . . . . 69 PRO HD2 . 11332 1 797 . 1 1 69 69 PRO HD3 H 1 3.596 0.030 . 1 . . . . 69 PRO HD3 . 11332 1 798 . 1 1 69 69 PRO HG2 H 1 1.942 0.030 . 1 . . . . 69 PRO HG2 . 11332 1 799 . 1 1 69 69 PRO HG3 H 1 1.942 0.030 . 1 . . . . 69 PRO HG3 . 11332 1 800 . 1 1 69 69 PRO C C 13 177.395 0.300 . 1 . . . . 69 PRO C . 11332 1 801 . 1 1 69 69 PRO CA C 13 63.102 0.300 . 1 . . . . 69 PRO CA . 11332 1 802 . 1 1 69 69 PRO CB C 13 32.150 0.300 . 1 . . . . 69 PRO CB . 11332 1 803 . 1 1 69 69 PRO CD C 13 49.771 0.300 . 1 . . . . 69 PRO CD . 11332 1 804 . 1 1 69 69 PRO CG C 13 27.472 0.300 . 1 . . . . 69 PRO CG . 11332 1 805 . 1 1 70 70 SER H H 1 8.536 0.030 . 1 . . . . 70 SER H . 11332 1 806 . 1 1 70 70 SER HA H 1 4.490 0.030 . 1 . . . . 70 SER HA . 11332 1 807 . 1 1 70 70 SER HB2 H 1 3.893 0.030 . 1 . . . . 70 SER HB2 . 11332 1 808 . 1 1 70 70 SER HB3 H 1 3.893 0.030 . 1 . . . . 70 SER HB3 . 11332 1 809 . 1 1 70 70 SER C C 13 174.679 0.300 . 1 . . . . 70 SER C . 11332 1 810 . 1 1 70 70 SER CA C 13 58.202 0.300 . 1 . . . . 70 SER CA . 11332 1 811 . 1 1 70 70 SER CB C 13 63.621 0.300 . 1 . . . . 70 SER CB . 11332 1 812 . 1 1 70 70 SER N N 15 116.405 0.300 . 1 . . . . 70 SER N . 11332 1 813 . 1 1 71 71 SER H H 1 8.333 0.030 . 1 . . . . 71 SER H . 11332 1 814 . 1 1 71 71 SER HA H 1 4.482 0.030 . 1 . . . . 71 SER HA . 11332 1 815 . 1 1 71 71 SER HB2 H 1 3.879 0.030 . 1 . . . . 71 SER HB2 . 11332 1 816 . 1 1 71 71 SER HB3 H 1 3.879 0.030 . 1 . . . . 71 SER HB3 . 11332 1 817 . 1 1 71 71 SER C C 13 173.942 0.300 . 1 . . . . 71 SER C . 11332 1 818 . 1 1 71 71 SER CA C 13 58.217 0.300 . 1 . . . . 71 SER CA . 11332 1 819 . 1 1 71 71 SER CB C 13 63.929 0.300 . 1 . . . . 71 SER CB . 11332 1 820 . 1 1 71 71 SER N N 15 117.873 0.300 . 1 . . . . 71 SER N . 11332 1 821 . 1 1 72 72 GLY H H 1 8.052 0.030 . 1 . . . . 72 GLY H . 11332 1 822 . 1 1 72 72 GLY HA2 H 1 3.769 0.030 . 1 . . . . 72 GLY HA2 . 11332 1 823 . 1 1 72 72 GLY HA3 H 1 3.769 0.030 . 1 . . . . 72 GLY HA3 . 11332 1 824 . 1 1 72 72 GLY C C 13 179.011 0.300 . 1 . . . . 72 GLY C . 11332 1 825 . 1 1 72 72 GLY CA C 13 46.186 0.300 . 1 . . . . 72 GLY CA . 11332 1 826 . 1 1 72 72 GLY N N 15 116.869 0.300 . 1 . . . . 72 GLY N . 11332 1 stop_ save_