data_11353 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11353 _Entry.Title ; Solution structure of PHD domain in inhibitor of growth protein 3 (ING3) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-07 _Entry.Accession_date 2010-09-07 _Entry.Last_release_date 2011-09-07 _Entry.Original_release_date 2011-09-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 F. He . . . 11353 2 Y. Muto . . . 11353 3 M. Inoue . . . 11353 4 T. Kigawa . . . 11353 5 M. Shirouzu . . . 11353 6 T. Terada . . . 11353 7 S. Yokoyama . . . 11353 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)' . 11353 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11353 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 265 11353 '15N chemical shifts' 64 11353 '1H chemical shifts' 399 11353 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-09-07 2010-09-07 original author . 11353 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X4I 'BMRB Entry Tracking System' 11353 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11353 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of PHD domain in inhibitor of growth protein 3 (ING3)' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. He . . . 11353 1 2 Y. Muto . . . 11353 1 3 M. Inoue . . . 11353 1 4 T. Kigawa . . . 11353 1 5 M. Shirouzu . . . 11353 1 6 T. Terada . . . 11353 1 7 S. Yokoyama . . . 11353 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11353 _Assembly.ID 1 _Assembly.Name 'Inhibitor of growth protein 3' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PHD domain' 1 $entity_1 A . yes native no no . . . 11353 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11353 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11353 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 'PHD domain' 1 CYS 9 9 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 9 CYS SG . . . . ZN 11353 1 2 coordination single . 1 'PHD domain' 1 CYS 11 11 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 11 CYS SG . . . . ZN 11353 1 3 coordination single . 1 'PHD domain' 1 HIS 33 33 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 33 HIS ND1 . . . . ZN 11353 1 4 coordination single . 1 'PHD domain' 1 CYS 36 36 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 36 CYS SG . . . . ZN 11353 1 5 coordination single . 1 'PHD domain' 1 CYS 22 22 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 22 CYS SG . . . . ZN 11353 1 6 coordination single . 1 'PHD domain' 1 CYS 27 27 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 27 CYS SG . . . . ZN 11353 1 7 coordination single . 1 'PHD domain' 1 CYS 49 49 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 49 CYS SG . . . . ZN 11353 1 8 coordination single . 1 'PHD domain' 1 CYS 52 52 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 52 CYS SG . . . . ZN 11353 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 49 49 HG . 49 CYS HG 11353 1 . . 1 1 CYS 52 52 HG . 52 CYS HG 11353 1 . . 1 1 CYS 22 22 HG . 22 CYS HG 11353 1 . . 1 1 CYS 27 27 HG . 27 CYS HG 11353 1 . . 1 1 HIS 33 33 HD1 . 33 HIS HD1 11353 1 . . 1 1 CYS 36 36 HG . 36 CYS HG 11353 1 . . 1 1 CYS 9 9 HG . 9 CYS HG 11353 1 . . 1 1 CYS 11 11 HG . 11 CYS HG 11353 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 1x4i . . . . . . 11353 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11353 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PHD domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGYCICNQVSYGEMV GCDNQDCPIEWFHYGCVGLT EAPKGKWYCPQCTAAMKRRG SRHKSGPSSG ; _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 70 _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 1X4I . "Solution Structure Of Phd Domain In Inhibitor Of Growth Protein 3 (Ing3)" . . . . . 100.00 70 100.00 100.00 4.72e-43 . . . . 11353 1 2 no DBJ BAA90942 . "unnamed protein product [Homo sapiens]" . . . . . 81.43 418 100.00 100.00 1.48e-36 . . . . 11353 1 3 no DBJ BAC38021 . "unnamed protein product [Mus musculus]" . . . . . 81.43 412 98.25 100.00 4.62e-36 . . . . 11353 1 4 no DBJ BAE43273 . "unnamed protein product [Mus musculus]" . . . . . 81.43 407 98.25 100.00 3.93e-36 . . . . 11353 1 5 no DBJ BAG57123 . "unnamed protein product [Homo sapiens]" . . . . . 81.43 403 100.00 100.00 1.22e-36 . . . . 11353 1 6 no DBJ BAG73291 . "inhibitor of growth family, member 3 [synthetic construct]" . . . . . 81.43 418 100.00 100.00 1.72e-36 . . . . 11353 1 7 no EMBL CAF90810 . "unnamed protein product [Tetraodon nigroviridis]" . . . . . 81.43 441 98.25 98.25 2.43e-35 . . . . 11353 1 8 no EMBL CAG31907 . "hypothetical protein RCJMB04_13g20 [Gallus gallus]" . . . . . 81.43 417 100.00 100.00 1.30e-36 . . . . 11353 1 9 no EMBL CAH90959 . "hypothetical protein [Pongo abelii]" . . . . . 81.43 403 100.00 100.00 1.34e-36 . . . . 11353 1 10 no EMBL CAJ83008 . "inhibitor of growth family, member 3 [Xenopus (Silurana) tropicalis]" . . . . . 81.43 417 98.25 100.00 7.11e-36 . . . . 11353 1 11 no EMBL CDQ78875 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 81.43 425 98.25 98.25 1.23e-35 . . . . 11353 1 12 no GB AAG12172 . "p47ING3 protein [Homo sapiens]" . . . . . 81.43 418 100.00 100.00 1.72e-36 . . . . 11353 1 13 no GB AAG23285 . "p47 [Homo sapiens]" . . . . . 81.43 418 100.00 100.00 1.48e-36 . . . . 11353 1 14 no GB AAG23286 . "p47 [Mus musculus]" . . . . . 81.43 412 98.25 100.00 4.52e-36 . . . . 11353 1 15 no GB AAH05721 . "Ing3 protein, partial [Mus musculus]" . . . . . 81.43 201 98.25 100.00 2.12e-37 . . . . 11353 1 16 no GB AAH18342 . "Inhibitor of growth family, member 3 [Mus musculus]" . . . . . 81.43 412 98.25 100.00 4.62e-36 . . . . 11353 1 17 no REF NP_001008672 . "inhibitor of growth protein 3 [Xenopus (Silurana) tropicalis]" . . . . . 81.43 417 98.25 100.00 7.11e-36 . . . . 11353 1 18 no REF NP_001025904 . "inhibitor of growth protein 3 [Gallus gallus]" . . . . . 81.43 417 100.00 100.00 1.57e-36 . . . . 11353 1 19 no REF NP_001029279 . "inhibitor of growth protein 3 [Rattus norvegicus]" . . . . . 81.43 421 98.25 100.00 5.46e-36 . . . . 11353 1 20 no REF NP_001080280 . "inhibitor of growth protein 3 [Xenopus laevis]" . . . . . 81.43 416 98.25 100.00 7.26e-36 . . . . 11353 1 21 no REF NP_001125551 . "inhibitor of growth protein 3 [Pongo abelii]" . . . . . 81.43 403 100.00 100.00 1.34e-36 . . . . 11353 1 22 no SP Q498T3 . "RecName: Full=Inhibitor of growth protein 3" . . . . . 81.43 421 98.25 100.00 5.46e-36 . . . . 11353 1 23 no SP Q5RBA1 . "RecName: Full=Inhibitor of growth protein 3" . . . . . 81.43 403 100.00 100.00 1.34e-36 . . . . 11353 1 24 no SP Q5ZK36 . "RecName: Full=Inhibitor of growth protein 3" . . . . . 81.43 417 100.00 100.00 1.30e-36 . . . . 11353 1 25 no SP Q66KD5 . "RecName: Full=Inhibitor of growth protein 3" . . . . . 81.43 417 98.25 100.00 7.11e-36 . . . . 11353 1 26 no SP Q7ZX31 . "RecName: Full=Inhibitor of growth protein 3" . . . . . 81.43 416 98.25 100.00 7.26e-36 . . . . 11353 1 27 no TPG DAA30453 . "TPA: inhibitor of growth family, member 3-like [Bos taurus]" . . . . . 81.43 418 100.00 100.00 1.74e-36 . . . . 11353 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PHD domain' . 11353 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 . 11353 1 2 . SER . 11353 1 3 . SER . 11353 1 4 . GLY . 11353 1 5 . SER . 11353 1 6 . SER . 11353 1 7 . GLY . 11353 1 8 . TYR . 11353 1 9 . CYS . 11353 1 10 . ILE . 11353 1 11 . CYS . 11353 1 12 . ASN . 11353 1 13 . GLN . 11353 1 14 . VAL . 11353 1 15 . SER . 11353 1 16 . TYR . 11353 1 17 . GLY . 11353 1 18 . GLU . 11353 1 19 . MET . 11353 1 20 . VAL . 11353 1 21 . GLY . 11353 1 22 . CYS . 11353 1 23 . ASP . 11353 1 24 . ASN . 11353 1 25 . GLN . 11353 1 26 . ASP . 11353 1 27 . CYS . 11353 1 28 . PRO . 11353 1 29 . ILE . 11353 1 30 . GLU . 11353 1 31 . TRP . 11353 1 32 . PHE . 11353 1 33 . HIS . 11353 1 34 . TYR . 11353 1 35 . GLY . 11353 1 36 . CYS . 11353 1 37 . VAL . 11353 1 38 . GLY . 11353 1 39 . LEU . 11353 1 40 . THR . 11353 1 41 . GLU . 11353 1 42 . ALA . 11353 1 43 . PRO . 11353 1 44 . LYS . 11353 1 45 . GLY . 11353 1 46 . LYS . 11353 1 47 . TRP . 11353 1 48 . TYR . 11353 1 49 . CYS . 11353 1 50 . PRO . 11353 1 51 . GLN . 11353 1 52 . CYS . 11353 1 53 . THR . 11353 1 54 . ALA . 11353 1 55 . ALA . 11353 1 56 . MET . 11353 1 57 . LYS . 11353 1 58 . ARG . 11353 1 59 . ARG . 11353 1 60 . GLY . 11353 1 61 . SER . 11353 1 62 . ARG . 11353 1 63 . HIS . 11353 1 64 . LYS . 11353 1 65 . SER . 11353 1 66 . GLY . 11353 1 67 . PRO . 11353 1 68 . SER . 11353 1 69 . SER . 11353 1 70 . GLY . 11353 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 11353 1 . SER 2 2 11353 1 . SER 3 3 11353 1 . GLY 4 4 11353 1 . SER 5 5 11353 1 . SER 6 6 11353 1 . GLY 7 7 11353 1 . TYR 8 8 11353 1 . CYS 9 9 11353 1 . ILE 10 10 11353 1 . CYS 11 11 11353 1 . ASN 12 12 11353 1 . GLN 13 13 11353 1 . VAL 14 14 11353 1 . SER 15 15 11353 1 . TYR 16 16 11353 1 . GLY 17 17 11353 1 . GLU 18 18 11353 1 . MET 19 19 11353 1 . VAL 20 20 11353 1 . GLY 21 21 11353 1 . CYS 22 22 11353 1 . ASP 23 23 11353 1 . ASN 24 24 11353 1 . GLN 25 25 11353 1 . ASP 26 26 11353 1 . CYS 27 27 11353 1 . PRO 28 28 11353 1 . ILE 29 29 11353 1 . GLU 30 30 11353 1 . TRP 31 31 11353 1 . PHE 32 32 11353 1 . HIS 33 33 11353 1 . TYR 34 34 11353 1 . GLY 35 35 11353 1 . CYS 36 36 11353 1 . VAL 37 37 11353 1 . GLY 38 38 11353 1 . LEU 39 39 11353 1 . THR 40 40 11353 1 . GLU 41 41 11353 1 . ALA 42 42 11353 1 . PRO 43 43 11353 1 . LYS 44 44 11353 1 . GLY 45 45 11353 1 . LYS 46 46 11353 1 . TRP 47 47 11353 1 . TYR 48 48 11353 1 . CYS 49 49 11353 1 . PRO 50 50 11353 1 . GLN 51 51 11353 1 . CYS 52 52 11353 1 . THR 53 53 11353 1 . ALA 54 54 11353 1 . ALA 55 55 11353 1 . MET 56 56 11353 1 . LYS 57 57 11353 1 . ARG 58 58 11353 1 . ARG 59 59 11353 1 . GLY 60 60 11353 1 . SER 61 61 11353 1 . ARG 62 62 11353 1 . HIS 63 63 11353 1 . LYS 64 64 11353 1 . SER 65 65 11353 1 . GLY 66 66 11353 1 . PRO 67 67 11353 1 . SER 68 68 11353 1 . SER 69 69 11353 1 . GLY 70 70 11353 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11353 _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 . 11353 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 11353 _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 . . . . . . . . . . . . . . . . . . . . . 11353 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 11353 _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 . . P040705-02 . . . . . . 11353 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 11353 _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 11353 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11353 ZN [Zn++] SMILES CACTVS 3.341 11353 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11353 ZN [Zn+2] SMILES ACDLabs 10.04 11353 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11353 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11353 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 11353 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11353 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 . 11353 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11353 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8mM {U-15,13C;} 20mM d-Tris-HCl(pH {7.0);} 100mM {NaCl;} 0.1mM {ZnCl2;} 1mM {d-DTT;} 0.02% NaN3 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PHD domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.8 . . mM . . . . 11353 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11353 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11353 1 4 ZnCl2 'natural abundance' . . . . . salt 0.1 . . mM . . . . 11353 1 5 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11353 1 6 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11353 1 7 H2O . . . . . . solvent 90 . . % . . . . 11353 1 8 D2O . . . . . . solvent 10 . . % . . . . 11353 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 11353 _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 11353 1 pH 7.0 0.05 pH 11353 1 pressure 1 0.001 atm 11353 1 temperature 298 0.1 K 11353 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11353 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11353 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11353 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11353 _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.' . . 11353 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11353 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11353 _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.' . . 11353 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11353 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11353 _Software.ID 4 _Software.Name Kujira _Software.Version 0.863 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi N.' . . 11353 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11353 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11353 _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.' . . 11353 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11353 5 'structure solution' 11353 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 11353 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11353 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 700 . . . 11353 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 11353 _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 . . . . . . . . . . . . . . . . 11353 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11353 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 11353 _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 . . . . . . . . . 11353 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11353 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11353 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 11353 _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 11353 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11353 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 . . 11353 1 2 $NMRPipe . . 11353 1 3 $NMRView . . 11353 1 4 $Kujira . . 11353 1 5 $CYANA . . 11353 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 SER HA H 1 4.486 0.030 . 1 . . . . 5 SER HA . 11353 1 2 . 1 1 5 5 SER HB2 H 1 3.856 0.030 . 1 . . . . 5 SER HB2 . 11353 1 3 . 1 1 5 5 SER HB3 H 1 3.856 0.030 . 1 . . . . 5 SER HB3 . 11353 1 4 . 1 1 5 5 SER C C 13 174.576 0.300 . 1 . . . . 5 SER C . 11353 1 5 . 1 1 5 5 SER CA C 13 58.163 0.300 . 1 . . . . 5 SER CA . 11353 1 6 . 1 1 5 5 SER CB C 13 64.013 0.300 . 1 . . . . 5 SER CB . 11353 1 7 . 1 1 6 6 SER H H 1 8.348 0.030 . 1 . . . . 6 SER H . 11353 1 8 . 1 1 6 6 SER HA H 1 4.431 0.030 . 1 . . . . 6 SER HA . 11353 1 9 . 1 1 6 6 SER HB2 H 1 3.812 0.030 . 1 . . . . 6 SER HB2 . 11353 1 10 . 1 1 6 6 SER HB3 H 1 3.812 0.030 . 1 . . . . 6 SER HB3 . 11353 1 11 . 1 1 6 6 SER C C 13 174.139 0.300 . 1 . . . . 6 SER C . 11353 1 12 . 1 1 6 6 SER CA C 13 58.504 0.300 . 1 . . . . 6 SER CA . 11353 1 13 . 1 1 6 6 SER CB C 13 63.957 0.300 . 1 . . . . 6 SER CB . 11353 1 14 . 1 1 6 6 SER N N 15 117.629 0.300 . 1 . . . . 6 SER N . 11353 1 15 . 1 1 7 7 GLY H H 1 8.033 0.030 . 1 . . . . 7 GLY H . 11353 1 16 . 1 1 7 7 GLY HA2 H 1 3.739 0.030 . 2 . . . . 7 GLY HA2 . 11353 1 17 . 1 1 7 7 GLY HA3 H 1 3.660 0.030 . 2 . . . . 7 GLY HA3 . 11353 1 18 . 1 1 7 7 GLY C C 13 172.608 0.300 . 1 . . . . 7 GLY C . 11353 1 19 . 1 1 7 7 GLY CA C 13 44.822 0.300 . 1 . . . . 7 GLY CA . 11353 1 20 . 1 1 7 7 GLY N N 15 109.596 0.300 . 1 . . . . 7 GLY N . 11353 1 21 . 1 1 8 8 TYR H H 1 8.102 0.030 . 1 . . . . 8 TYR H . 11353 1 22 . 1 1 8 8 TYR HA H 1 4.796 0.030 . 1 . . . . 8 TYR HA . 11353 1 23 . 1 1 8 8 TYR HB2 H 1 2.964 0.030 . 2 . . . . 8 TYR HB2 . 11353 1 24 . 1 1 8 8 TYR HB3 H 1 2.472 0.030 . 2 . . . . 8 TYR HB3 . 11353 1 25 . 1 1 8 8 TYR HD1 H 1 7.110 0.030 . 1 . . . . 8 TYR HD1 . 11353 1 26 . 1 1 8 8 TYR HD2 H 1 7.110 0.030 . 1 . . . . 8 TYR HD2 . 11353 1 27 . 1 1 8 8 TYR HE1 H 1 6.811 0.030 . 1 . . . . 8 TYR HE1 . 11353 1 28 . 1 1 8 8 TYR HE2 H 1 6.811 0.030 . 1 . . . . 8 TYR HE2 . 11353 1 29 . 1 1 8 8 TYR C C 13 174.172 0.300 . 1 . . . . 8 TYR C . 11353 1 30 . 1 1 8 8 TYR CA C 13 57.050 0.300 . 1 . . . . 8 TYR CA . 11353 1 31 . 1 1 8 8 TYR CB C 13 40.938 0.300 . 1 . . . . 8 TYR CB . 11353 1 32 . 1 1 8 8 TYR CD1 C 13 132.988 0.300 . 1 . . . . 8 TYR CD1 . 11353 1 33 . 1 1 8 8 TYR CD2 C 13 132.988 0.300 . 1 . . . . 8 TYR CD2 . 11353 1 34 . 1 1 8 8 TYR CE1 C 13 118.234 0.300 . 1 . . . . 8 TYR CE1 . 11353 1 35 . 1 1 8 8 TYR CE2 C 13 118.234 0.300 . 1 . . . . 8 TYR CE2 . 11353 1 36 . 1 1 8 8 TYR N N 15 119.420 0.300 . 1 . . . . 8 TYR N . 11353 1 37 . 1 1 9 9 CYS H H 1 7.558 0.030 . 1 . . . . 9 CYS H . 11353 1 38 . 1 1 9 9 CYS HA H 1 3.720 0.030 . 1 . . . . 9 CYS HA . 11353 1 39 . 1 1 9 9 CYS HB2 H 1 4.360 0.030 . 2 . . . . 9 CYS HB2 . 11353 1 40 . 1 1 9 9 CYS HB3 H 1 2.379 0.030 . 2 . . . . 9 CYS HB3 . 11353 1 41 . 1 1 9 9 CYS C C 13 175.086 0.300 . 1 . . . . 9 CYS C . 11353 1 42 . 1 1 9 9 CYS CA C 13 59.167 0.300 . 1 . . . . 9 CYS CA . 11353 1 43 . 1 1 9 9 CYS CB C 13 30.009 0.300 . 1 . . . . 9 CYS CB . 11353 1 44 . 1 1 9 9 CYS N N 15 118.482 0.300 . 1 . . . . 9 CYS N . 11353 1 45 . 1 1 10 10 ILE H H 1 10.140 0.030 . 1 . . . . 10 ILE H . 11353 1 46 . 1 1 10 10 ILE HA H 1 4.531 0.030 . 1 . . . . 10 ILE HA . 11353 1 47 . 1 1 10 10 ILE HB H 1 2.299 0.030 . 1 . . . . 10 ILE HB . 11353 1 48 . 1 1 10 10 ILE HD11 H 1 1.136 0.030 . 1 . . . . 10 ILE HD1 . 11353 1 49 . 1 1 10 10 ILE HD12 H 1 1.136 0.030 . 1 . . . . 10 ILE HD1 . 11353 1 50 . 1 1 10 10 ILE HD13 H 1 1.136 0.030 . 1 . . . . 10 ILE HD1 . 11353 1 51 . 1 1 10 10 ILE HG12 H 1 1.710 0.030 . 2 . . . . 10 ILE HG12 . 11353 1 52 . 1 1 10 10 ILE HG13 H 1 1.591 0.030 . 2 . . . . 10 ILE HG13 . 11353 1 53 . 1 1 10 10 ILE HG21 H 1 1.301 0.030 . 1 . . . . 10 ILE HG2 . 11353 1 54 . 1 1 10 10 ILE HG22 H 1 1.301 0.030 . 1 . . . . 10 ILE HG2 . 11353 1 55 . 1 1 10 10 ILE HG23 H 1 1.301 0.030 . 1 . . . . 10 ILE HG2 . 11353 1 56 . 1 1 10 10 ILE C C 13 176.916 0.300 . 1 . . . . 10 ILE C . 11353 1 57 . 1 1 10 10 ILE CA C 13 62.848 0.300 . 1 . . . . 10 ILE CA . 11353 1 58 . 1 1 10 10 ILE CB C 13 39.260 0.300 . 1 . . . . 10 ILE CB . 11353 1 59 . 1 1 10 10 ILE CD1 C 13 14.234 0.300 . 1 . . . . 10 ILE CD1 . 11353 1 60 . 1 1 10 10 ILE CG1 C 13 27.889 0.300 . 1 . . . . 10 ILE CG1 . 11353 1 61 . 1 1 10 10 ILE CG2 C 13 19.585 0.300 . 1 . . . . 10 ILE CG2 . 11353 1 62 . 1 1 10 10 ILE N N 15 121.899 0.300 . 1 . . . . 10 ILE N . 11353 1 63 . 1 1 11 11 CYS H H 1 7.839 0.030 . 1 . . . . 11 CYS H . 11353 1 64 . 1 1 11 11 CYS HA H 1 4.732 0.030 . 1 . . . . 11 CYS HA . 11353 1 65 . 1 1 11 11 CYS HB2 H 1 3.310 0.030 . 2 . . . . 11 CYS HB2 . 11353 1 66 . 1 1 11 11 CYS HB3 H 1 3.209 0.030 . 2 . . . . 11 CYS HB3 . 11353 1 67 . 1 1 11 11 CYS C C 13 175.995 0.300 . 1 . . . . 11 CYS C . 11353 1 68 . 1 1 11 11 CYS CA C 13 57.694 0.300 . 1 . . . . 11 CYS CA . 11353 1 69 . 1 1 11 11 CYS CB C 13 31.865 0.300 . 1 . . . . 11 CYS CB . 11353 1 70 . 1 1 11 11 CYS N N 15 118.761 0.300 . 1 . . . . 11 CYS N . 11353 1 71 . 1 1 12 12 ASN H H 1 8.271 0.030 . 1 . . . . 12 ASN H . 11353 1 72 . 1 1 12 12 ASN HA H 1 4.586 0.030 . 1 . . . . 12 ASN HA . 11353 1 73 . 1 1 12 12 ASN HB2 H 1 3.183 0.030 . 2 . . . . 12 ASN HB2 . 11353 1 74 . 1 1 12 12 ASN HB3 H 1 2.773 0.030 . 2 . . . . 12 ASN HB3 . 11353 1 75 . 1 1 12 12 ASN HD21 H 1 7.488 0.030 . 2 . . . . 12 ASN HD21 . 11353 1 76 . 1 1 12 12 ASN HD22 H 1 6.769 0.030 . 2 . . . . 12 ASN HD22 . 11353 1 77 . 1 1 12 12 ASN C C 13 174.238 0.300 . 1 . . . . 12 ASN C . 11353 1 78 . 1 1 12 12 ASN CA C 13 55.142 0.300 . 1 . . . . 12 ASN CA . 11353 1 79 . 1 1 12 12 ASN CB C 13 37.840 0.300 . 1 . . . . 12 ASN CB . 11353 1 80 . 1 1 12 12 ASN N N 15 120.651 0.300 . 1 . . . . 12 ASN N . 11353 1 81 . 1 1 12 12 ASN ND2 N 15 112.034 0.300 . 1 . . . . 12 ASN ND2 . 11353 1 82 . 1 1 13 13 GLN H H 1 8.245 0.030 . 1 . . . . 13 GLN H . 11353 1 83 . 1 1 13 13 GLN HA H 1 4.811 0.030 . 1 . . . . 13 GLN HA . 11353 1 84 . 1 1 13 13 GLN HB2 H 1 2.379 0.030 . 2 . . . . 13 GLN HB2 . 11353 1 85 . 1 1 13 13 GLN HB3 H 1 2.292 0.030 . 2 . . . . 13 GLN HB3 . 11353 1 86 . 1 1 13 13 GLN HE21 H 1 6.848 0.030 . 2 . . . . 13 GLN HE21 . 11353 1 87 . 1 1 13 13 GLN HE22 H 1 7.509 0.030 . 2 . . . . 13 GLN HE22 . 11353 1 88 . 1 1 13 13 GLN HG2 H 1 2.518 0.030 . 2 . . . . 13 GLN HG2 . 11353 1 89 . 1 1 13 13 GLN HG3 H 1 2.438 0.030 . 2 . . . . 13 GLN HG3 . 11353 1 90 . 1 1 13 13 GLN C C 13 175.709 0.300 . 1 . . . . 13 GLN C . 11353 1 91 . 1 1 13 13 GLN CA C 13 54.708 0.300 . 1 . . . . 13 GLN CA . 11353 1 92 . 1 1 13 13 GLN CB C 13 31.803 0.300 . 1 . . . . 13 GLN CB . 11353 1 93 . 1 1 13 13 GLN CG C 13 34.224 0.300 . 1 . . . . 13 GLN CG . 11353 1 94 . 1 1 13 13 GLN N N 15 117.753 0.300 . 1 . . . . 13 GLN N . 11353 1 95 . 1 1 13 13 GLN NE2 N 15 113.251 0.300 . 1 . . . . 13 GLN NE2 . 11353 1 96 . 1 1 14 14 VAL H H 1 8.024 0.030 . 1 . . . . 14 VAL H . 11353 1 97 . 1 1 14 14 VAL HA H 1 4.209 0.030 . 1 . . . . 14 VAL HA . 11353 1 98 . 1 1 14 14 VAL HB H 1 2.326 0.030 . 1 . . . . 14 VAL HB . 11353 1 99 . 1 1 14 14 VAL HG11 H 1 0.990 0.030 . 1 . . . . 14 VAL HG1 . 11353 1 100 . 1 1 14 14 VAL HG12 H 1 0.990 0.030 . 1 . . . . 14 VAL HG1 . 11353 1 101 . 1 1 14 14 VAL HG13 H 1 0.990 0.030 . 1 . . . . 14 VAL HG1 . 11353 1 102 . 1 1 14 14 VAL HG21 H 1 0.976 0.030 . 1 . . . . 14 VAL HG2 . 11353 1 103 . 1 1 14 14 VAL HG22 H 1 0.976 0.030 . 1 . . . . 14 VAL HG2 . 11353 1 104 . 1 1 14 14 VAL HG23 H 1 0.976 0.030 . 1 . . . . 14 VAL HG2 . 11353 1 105 . 1 1 14 14 VAL C C 13 175.982 0.300 . 1 . . . . 14 VAL C . 11353 1 106 . 1 1 14 14 VAL CA C 13 61.925 0.300 . 1 . . . . 14 VAL CA . 11353 1 107 . 1 1 14 14 VAL CB C 13 32.633 0.300 . 1 . . . . 14 VAL CB . 11353 1 108 . 1 1 14 14 VAL CG1 C 13 21.238 0.300 . 2 . . . . 14 VAL CG1 . 11353 1 109 . 1 1 14 14 VAL CG2 C 13 18.979 0.300 . 2 . . . . 14 VAL CG2 . 11353 1 110 . 1 1 14 14 VAL N N 15 115.108 0.300 . 1 . . . . 14 VAL N . 11353 1 111 . 1 1 15 15 SER H H 1 8.239 0.030 . 1 . . . . 15 SER H . 11353 1 112 . 1 1 15 15 SER HA H 1 4.039 0.030 . 1 . . . . 15 SER HA . 11353 1 113 . 1 1 15 15 SER HB2 H 1 3.474 0.030 . 1 . . . . 15 SER HB2 . 11353 1 114 . 1 1 15 15 SER HB3 H 1 3.474 0.030 . 1 . . . . 15 SER HB3 . 11353 1 115 . 1 1 15 15 SER C C 13 173.726 0.300 . 1 . . . . 15 SER C . 11353 1 116 . 1 1 15 15 SER CA C 13 58.894 0.300 . 1 . . . . 15 SER CA . 11353 1 117 . 1 1 15 15 SER CB C 13 63.355 0.300 . 1 . . . . 15 SER CB . 11353 1 118 . 1 1 15 15 SER N N 15 116.624 0.300 . 1 . . . . 15 SER N . 11353 1 119 . 1 1 16 16 TYR H H 1 7.583 0.030 . 1 . . . . 16 TYR H . 11353 1 120 . 1 1 16 16 TYR HA H 1 4.608 0.030 . 1 . . . . 16 TYR HA . 11353 1 121 . 1 1 16 16 TYR HB2 H 1 3.101 0.030 . 2 . . . . 16 TYR HB2 . 11353 1 122 . 1 1 16 16 TYR HB3 H 1 2.882 0.030 . 2 . . . . 16 TYR HB3 . 11353 1 123 . 1 1 16 16 TYR HD1 H 1 6.937 0.030 . 1 . . . . 16 TYR HD1 . 11353 1 124 . 1 1 16 16 TYR HD2 H 1 6.937 0.030 . 1 . . . . 16 TYR HD2 . 11353 1 125 . 1 1 16 16 TYR HE1 H 1 6.501 0.030 . 1 . . . . 16 TYR HE1 . 11353 1 126 . 1 1 16 16 TYR HE2 H 1 6.501 0.030 . 1 . . . . 16 TYR HE2 . 11353 1 127 . 1 1 16 16 TYR C C 13 174.724 0.300 . 1 . . . . 16 TYR C . 11353 1 128 . 1 1 16 16 TYR CA C 13 57.772 0.300 . 1 . . . . 16 TYR CA . 11353 1 129 . 1 1 16 16 TYR CB C 13 39.132 0.300 . 1 . . . . 16 TYR CB . 11353 1 130 . 1 1 16 16 TYR CD1 C 13 133.690 0.300 . 1 . . . . 16 TYR CD1 . 11353 1 131 . 1 1 16 16 TYR CD2 C 13 133.690 0.300 . 1 . . . . 16 TYR CD2 . 11353 1 132 . 1 1 16 16 TYR CE1 C 13 117.453 0.300 . 1 . . . . 16 TYR CE1 . 11353 1 133 . 1 1 16 16 TYR CE2 C 13 117.453 0.300 . 1 . . . . 16 TYR CE2 . 11353 1 134 . 1 1 16 16 TYR N N 15 120.403 0.300 . 1 . . . . 16 TYR N . 11353 1 135 . 1 1 17 17 GLY H H 1 8.509 0.030 . 1 . . . . 17 GLY H . 11353 1 136 . 1 1 17 17 GLY HA2 H 1 3.889 0.030 . 2 . . . . 17 GLY HA2 . 11353 1 137 . 1 1 17 17 GLY HA3 H 1 3.769 0.030 . 2 . . . . 17 GLY HA3 . 11353 1 138 . 1 1 17 17 GLY C C 13 173.226 0.300 . 1 . . . . 17 GLY C . 11353 1 139 . 1 1 17 17 GLY CA C 13 45.515 0.300 . 1 . . . . 17 GLY CA . 11353 1 140 . 1 1 17 17 GLY N N 15 109.240 0.300 . 1 . . . . 17 GLY N . 11353 1 141 . 1 1 18 18 GLU H H 1 8.241 0.030 . 1 . . . . 18 GLU H . 11353 1 142 . 1 1 18 18 GLU HA H 1 3.994 0.030 . 1 . . . . 18 GLU HA . 11353 1 143 . 1 1 18 18 GLU HB2 H 1 0.977 0.030 . 2 . . . . 18 GLU HB2 . 11353 1 144 . 1 1 18 18 GLU HB3 H 1 0.631 0.030 . 2 . . . . 18 GLU HB3 . 11353 1 145 . 1 1 18 18 GLU HG2 H 1 1.959 0.030 . 2 . . . . 18 GLU HG2 . 11353 1 146 . 1 1 18 18 GLU HG3 H 1 1.900 0.030 . 2 . . . . 18 GLU HG3 . 11353 1 147 . 1 1 18 18 GLU C C 13 176.061 0.300 . 1 . . . . 18 GLU C . 11353 1 148 . 1 1 18 18 GLU CA C 13 56.642 0.300 . 1 . . . . 18 GLU CA . 11353 1 149 . 1 1 18 18 GLU CB C 13 28.331 0.300 . 1 . . . . 18 GLU CB . 11353 1 150 . 1 1 18 18 GLU CG C 13 36.243 0.300 . 1 . . . . 18 GLU CG . 11353 1 151 . 1 1 18 18 GLU N N 15 121.706 0.300 . 1 . . . . 18 GLU N . 11353 1 152 . 1 1 19 19 MET H H 1 8.306 0.030 . 1 . . . . 19 MET H . 11353 1 153 . 1 1 19 19 MET HA H 1 5.454 0.030 . 1 . . . . 19 MET HA . 11353 1 154 . 1 1 19 19 MET HB2 H 1 1.852 0.030 . 2 . . . . 19 MET HB2 . 11353 1 155 . 1 1 19 19 MET HB3 H 1 1.681 0.030 . 2 . . . . 19 MET HB3 . 11353 1 156 . 1 1 19 19 MET HE1 H 1 1.173 0.030 . 1 . . . . 19 MET HE . 11353 1 157 . 1 1 19 19 MET HE2 H 1 1.173 0.030 . 1 . . . . 19 MET HE . 11353 1 158 . 1 1 19 19 MET HE3 H 1 1.173 0.030 . 1 . . . . 19 MET HE . 11353 1 159 . 1 1 19 19 MET HG2 H 1 2.298 0.030 . 2 . . . . 19 MET HG2 . 11353 1 160 . 1 1 19 19 MET HG3 H 1 2.061 0.030 . 2 . . . . 19 MET HG3 . 11353 1 161 . 1 1 19 19 MET C C 13 174.951 0.300 . 1 . . . . 19 MET C . 11353 1 162 . 1 1 19 19 MET CA C 13 53.406 0.300 . 1 . . . . 19 MET CA . 11353 1 163 . 1 1 19 19 MET CB C 13 35.338 0.300 . 1 . . . . 19 MET CB . 11353 1 164 . 1 1 19 19 MET CE C 13 15.422 0.300 . 1 . . . . 19 MET CE . 11353 1 165 . 1 1 19 19 MET CG C 13 31.921 0.300 . 1 . . . . 19 MET CG . 11353 1 166 . 1 1 19 19 MET N N 15 122.472 0.300 . 1 . . . . 19 MET N . 11353 1 167 . 1 1 20 20 VAL H H 1 9.704 0.030 . 1 . . . . 20 VAL H . 11353 1 168 . 1 1 20 20 VAL HA H 1 4.750 0.030 . 1 . . . . 20 VAL HA . 11353 1 169 . 1 1 20 20 VAL HB H 1 1.538 0.030 . 1 . . . . 20 VAL HB . 11353 1 170 . 1 1 20 20 VAL HG11 H 1 0.304 0.030 . 1 . . . . 20 VAL HG1 . 11353 1 171 . 1 1 20 20 VAL HG12 H 1 0.304 0.030 . 1 . . . . 20 VAL HG1 . 11353 1 172 . 1 1 20 20 VAL HG13 H 1 0.304 0.030 . 1 . . . . 20 VAL HG1 . 11353 1 173 . 1 1 20 20 VAL HG21 H 1 -0.059 0.030 . 1 . . . . 20 VAL HG2 . 11353 1 174 . 1 1 20 20 VAL HG22 H 1 -0.059 0.030 . 1 . . . . 20 VAL HG2 . 11353 1 175 . 1 1 20 20 VAL HG23 H 1 -0.059 0.030 . 1 . . . . 20 VAL HG2 . 11353 1 176 . 1 1 20 20 VAL C C 13 172.089 0.300 . 1 . . . . 20 VAL C . 11353 1 177 . 1 1 20 20 VAL CA C 13 59.079 0.300 . 1 . . . . 20 VAL CA . 11353 1 178 . 1 1 20 20 VAL CB C 13 34.880 0.300 . 1 . . . . 20 VAL CB . 11353 1 179 . 1 1 20 20 VAL CG1 C 13 21.167 0.300 . 2 . . . . 20 VAL CG1 . 11353 1 180 . 1 1 20 20 VAL CG2 C 13 18.070 0.300 . 2 . . . . 20 VAL CG2 . 11353 1 181 . 1 1 20 20 VAL N N 15 122.930 0.300 . 1 . . . . 20 VAL N . 11353 1 182 . 1 1 21 21 GLY H H 1 8.403 0.030 . 1 . . . . 21 GLY H . 11353 1 183 . 1 1 21 21 GLY HA2 H 1 4.687 0.030 . 2 . . . . 21 GLY HA2 . 11353 1 184 . 1 1 21 21 GLY HA3 H 1 2.472 0.030 . 2 . . . . 21 GLY HA3 . 11353 1 185 . 1 1 21 21 GLY C C 13 172.907 0.300 . 1 . . . . 21 GLY C . 11353 1 186 . 1 1 21 21 GLY CA C 13 43.456 0.300 . 1 . . . . 21 GLY CA . 11353 1 187 . 1 1 21 21 GLY N N 15 116.525 0.300 . 1 . . . . 21 GLY N . 11353 1 188 . 1 1 22 22 CYS H H 1 8.549 0.030 . 1 . . . . 22 CYS H . 11353 1 189 . 1 1 22 22 CYS HA H 1 4.609 0.030 . 1 . . . . 22 CYS HA . 11353 1 190 . 1 1 22 22 CYS HB2 H 1 3.163 0.030 . 1 . . . . 22 CYS HB2 . 11353 1 191 . 1 1 22 22 CYS HB3 H 1 3.163 0.030 . 1 . . . . 22 CYS HB3 . 11353 1 192 . 1 1 22 22 CYS C C 13 176.974 0.300 . 1 . . . . 22 CYS C . 11353 1 193 . 1 1 22 22 CYS CA C 13 60.401 0.300 . 1 . . . . 22 CYS CA . 11353 1 194 . 1 1 22 22 CYS CB C 13 32.340 0.300 . 1 . . . . 22 CYS CB . 11353 1 195 . 1 1 22 22 CYS N N 15 126.689 0.300 . 1 . . . . 22 CYS N . 11353 1 196 . 1 1 23 23 ASP H H 1 9.134 0.030 . 1 . . . . 23 ASP H . 11353 1 197 . 1 1 23 23 ASP HA H 1 4.659 0.030 . 1 . . . . 23 ASP HA . 11353 1 198 . 1 1 23 23 ASP HB2 H 1 2.472 0.030 . 2 . . . . 23 ASP HB2 . 11353 1 199 . 1 1 23 23 ASP HB3 H 1 1.852 0.030 . 2 . . . . 23 ASP HB3 . 11353 1 200 . 1 1 23 23 ASP C C 13 176.548 0.300 . 1 . . . . 23 ASP C . 11353 1 201 . 1 1 23 23 ASP CA C 13 56.890 0.300 . 1 . . . . 23 ASP CA . 11353 1 202 . 1 1 23 23 ASP CB C 13 41.025 0.300 . 1 . . . . 23 ASP CB . 11353 1 203 . 1 1 23 23 ASP N N 15 127.423 0.300 . 1 . . . . 23 ASP N . 11353 1 204 . 1 1 24 24 ASN H H 1 8.838 0.030 . 1 . . . . 24 ASN H . 11353 1 205 . 1 1 24 24 ASN HA H 1 4.987 0.030 . 1 . . . . 24 ASN HA . 11353 1 206 . 1 1 24 24 ASN HB2 H 1 3.989 0.030 . 2 . . . . 24 ASN HB2 . 11353 1 207 . 1 1 24 24 ASN HB3 H 1 2.787 0.030 . 2 . . . . 24 ASN HB3 . 11353 1 208 . 1 1 24 24 ASN HD21 H 1 9.235 0.030 . 2 . . . . 24 ASN HD21 . 11353 1 209 . 1 1 24 24 ASN HD22 H 1 7.027 0.030 . 2 . . . . 24 ASN HD22 . 11353 1 210 . 1 1 24 24 ASN C C 13 176.507 0.300 . 1 . . . . 24 ASN C . 11353 1 211 . 1 1 24 24 ASN CA C 13 53.148 0.300 . 1 . . . . 24 ASN CA . 11353 1 212 . 1 1 24 24 ASN CB C 13 38.013 0.300 . 1 . . . . 24 ASN CB . 11353 1 213 . 1 1 24 24 ASN N N 15 121.359 0.300 . 1 . . . . 24 ASN N . 11353 1 214 . 1 1 24 24 ASN ND2 N 15 116.140 0.300 . 1 . . . . 24 ASN ND2 . 11353 1 215 . 1 1 25 25 GLN H H 1 9.207 0.030 . 1 . . . . 25 GLN H . 11353 1 216 . 1 1 25 25 GLN HA H 1 4.107 0.030 . 1 . . . . 25 GLN HA . 11353 1 217 . 1 1 25 25 GLN HB2 H 1 2.098 0.030 . 1 . . . . 25 GLN HB2 . 11353 1 218 . 1 1 25 25 GLN HB3 H 1 2.098 0.030 . 1 . . . . 25 GLN HB3 . 11353 1 219 . 1 1 25 25 GLN HE21 H 1 6.853 0.030 . 2 . . . . 25 GLN HE21 . 11353 1 220 . 1 1 25 25 GLN HE22 H 1 7.598 0.030 . 2 . . . . 25 GLN HE22 . 11353 1 221 . 1 1 25 25 GLN HG2 H 1 2.426 0.030 . 1 . . . . 25 GLN HG2 . 11353 1 222 . 1 1 25 25 GLN HG3 H 1 2.426 0.030 . 1 . . . . 25 GLN HG3 . 11353 1 223 . 1 1 25 25 GLN C C 13 175.982 0.300 . 1 . . . . 25 GLN C . 11353 1 224 . 1 1 25 25 GLN CA C 13 58.380 0.300 . 1 . . . . 25 GLN CA . 11353 1 225 . 1 1 25 25 GLN CB C 13 28.245 0.300 . 1 . . . . 25 GLN CB . 11353 1 226 . 1 1 25 25 GLN CG C 13 33.792 0.300 . 1 . . . . 25 GLN CG . 11353 1 227 . 1 1 25 25 GLN N N 15 129.682 0.300 . 1 . . . . 25 GLN N . 11353 1 228 . 1 1 25 25 GLN NE2 N 15 112.762 0.300 . 1 . . . . 25 GLN NE2 . 11353 1 229 . 1 1 26 26 ASP H H 1 7.501 0.030 . 1 . . . . 26 ASP H . 11353 1 230 . 1 1 26 26 ASP HA H 1 4.778 0.030 . 1 . . . . 26 ASP HA . 11353 1 231 . 1 1 26 26 ASP HB2 H 1 2.873 0.030 . 2 . . . . 26 ASP HB2 . 11353 1 232 . 1 1 26 26 ASP HB3 H 1 2.428 0.030 . 2 . . . . 26 ASP HB3 . 11353 1 233 . 1 1 26 26 ASP C C 13 174.884 0.300 . 1 . . . . 26 ASP C . 11353 1 234 . 1 1 26 26 ASP CA C 13 53.507 0.300 . 1 . . . . 26 ASP CA . 11353 1 235 . 1 1 26 26 ASP CB C 13 41.014 0.300 . 1 . . . . 26 ASP CB . 11353 1 236 . 1 1 26 26 ASP N N 15 116.373 0.300 . 1 . . . . 26 ASP N . 11353 1 237 . 1 1 27 27 CYS H H 1 7.618 0.030 . 1 . . . . 27 CYS H . 11353 1 238 . 1 1 27 27 CYS HA H 1 4.070 0.030 . 1 . . . . 27 CYS HA . 11353 1 239 . 1 1 27 27 CYS HB2 H 1 3.505 0.030 . 2 . . . . 27 CYS HB2 . 11353 1 240 . 1 1 27 27 CYS HB3 H 1 2.844 0.030 . 2 . . . . 27 CYS HB3 . 11353 1 241 . 1 1 27 27 CYS C C 13 176.271 0.300 . 1 . . . . 27 CYS C . 11353 1 242 . 1 1 27 27 CYS CA C 13 59.391 0.300 . 1 . . . . 27 CYS CA . 11353 1 243 . 1 1 27 27 CYS CB C 13 31.175 0.300 . 1 . . . . 27 CYS CB . 11353 1 244 . 1 1 27 27 CYS N N 15 126.200 0.300 . 1 . . . . 27 CYS N . 11353 1 245 . 1 1 28 28 PRO HA H 1 4.523 0.030 . 1 . . . . 28 PRO HA . 11353 1 246 . 1 1 28 28 PRO HB2 H 1 2.328 0.030 . 2 . . . . 28 PRO HB2 . 11353 1 247 . 1 1 28 28 PRO HB3 H 1 2.040 0.030 . 2 . . . . 28 PRO HB3 . 11353 1 248 . 1 1 28 28 PRO HD2 H 1 4.344 0.030 . 2 . . . . 28 PRO HD2 . 11353 1 249 . 1 1 28 28 PRO HD3 H 1 3.733 0.030 . 2 . . . . 28 PRO HD3 . 11353 1 250 . 1 1 28 28 PRO HG2 H 1 2.061 0.030 . 2 . . . . 28 PRO HG2 . 11353 1 251 . 1 1 28 28 PRO HG3 H 1 1.970 0.030 . 2 . . . . 28 PRO HG3 . 11353 1 252 . 1 1 28 28 PRO C C 13 176.624 0.300 . 1 . . . . 28 PRO C . 11353 1 253 . 1 1 28 28 PRO CA C 13 64.077 0.300 . 1 . . . . 28 PRO CA . 11353 1 254 . 1 1 28 28 PRO CB C 13 32.475 0.300 . 1 . . . . 28 PRO CB . 11353 1 255 . 1 1 28 28 PRO CD C 13 51.729 0.300 . 1 . . . . 28 PRO CD . 11353 1 256 . 1 1 28 28 PRO CG C 13 26.955 0.300 . 1 . . . . 28 PRO CG . 11353 1 257 . 1 1 29 29 ILE H H 1 8.381 0.030 . 1 . . . . 29 ILE H . 11353 1 258 . 1 1 29 29 ILE HA H 1 4.122 0.030 . 1 . . . . 29 ILE HA . 11353 1 259 . 1 1 29 29 ILE HB H 1 1.743 0.030 . 1 . . . . 29 ILE HB . 11353 1 260 . 1 1 29 29 ILE HD11 H 1 0.910 0.030 . 1 . . . . 29 ILE HD1 . 11353 1 261 . 1 1 29 29 ILE HD12 H 1 0.910 0.030 . 1 . . . . 29 ILE HD1 . 11353 1 262 . 1 1 29 29 ILE HD13 H 1 0.910 0.030 . 1 . . . . 29 ILE HD1 . 11353 1 263 . 1 1 29 29 ILE HG12 H 1 1.469 0.030 . 2 . . . . 29 ILE HG12 . 11353 1 264 . 1 1 29 29 ILE HG13 H 1 1.107 0.030 . 2 . . . . 29 ILE HG13 . 11353 1 265 . 1 1 29 29 ILE HG21 H 1 0.284 0.030 . 1 . . . . 29 ILE HG2 . 11353 1 266 . 1 1 29 29 ILE HG22 H 1 0.284 0.030 . 1 . . . . 29 ILE HG2 . 11353 1 267 . 1 1 29 29 ILE HG23 H 1 0.284 0.030 . 1 . . . . 29 ILE HG2 . 11353 1 268 . 1 1 29 29 ILE C C 13 177.512 0.300 . 1 . . . . 29 ILE C . 11353 1 269 . 1 1 29 29 ILE CA C 13 62.883 0.300 . 1 . . . . 29 ILE CA . 11353 1 270 . 1 1 29 29 ILE CB C 13 40.366 0.300 . 1 . . . . 29 ILE CB . 11353 1 271 . 1 1 29 29 ILE CD1 C 13 12.698 0.300 . 1 . . . . 29 ILE CD1 . 11353 1 272 . 1 1 29 29 ILE CG1 C 13 28.439 0.300 . 1 . . . . 29 ILE CG1 . 11353 1 273 . 1 1 29 29 ILE CG2 C 13 18.373 0.300 . 1 . . . . 29 ILE CG2 . 11353 1 274 . 1 1 29 29 ILE N N 15 123.330 0.300 . 1 . . . . 29 ILE N . 11353 1 275 . 1 1 30 30 GLU H H 1 9.494 0.030 . 1 . . . . 30 GLU H . 11353 1 276 . 1 1 30 30 GLU HA H 1 3.739 0.030 . 1 . . . . 30 GLU HA . 11353 1 277 . 1 1 30 30 GLU HB2 H 1 2.349 0.030 . 2 . . . . 30 GLU HB2 . 11353 1 278 . 1 1 30 30 GLU HB3 H 1 1.980 0.030 . 2 . . . . 30 GLU HB3 . 11353 1 279 . 1 1 30 30 GLU HG2 H 1 1.909 0.030 . 2 . . . . 30 GLU HG2 . 11353 1 280 . 1 1 30 30 GLU HG3 H 1 1.657 0.030 . 2 . . . . 30 GLU HG3 . 11353 1 281 . 1 1 30 30 GLU C C 13 175.942 0.300 . 1 . . . . 30 GLU C . 11353 1 282 . 1 1 30 30 GLU CA C 13 62.998 0.300 . 1 . . . . 30 GLU CA . 11353 1 283 . 1 1 30 30 GLU CB C 13 29.916 0.300 . 1 . . . . 30 GLU CB . 11353 1 284 . 1 1 30 30 GLU CG C 13 36.688 0.300 . 1 . . . . 30 GLU CG . 11353 1 285 . 1 1 30 30 GLU N N 15 119.996 0.300 . 1 . . . . 30 GLU N . 11353 1 286 . 1 1 31 31 TRP H H 1 7.843 0.030 . 1 . . . . 31 TRP H . 11353 1 287 . 1 1 31 31 TRP HA H 1 5.429 0.030 . 1 . . . . 31 TRP HA . 11353 1 288 . 1 1 31 31 TRP HB2 H 1 2.791 0.030 . 2 . . . . 31 TRP HB2 . 11353 1 289 . 1 1 31 31 TRP HB3 H 1 2.508 0.030 . 2 . . . . 31 TRP HB3 . 11353 1 290 . 1 1 31 31 TRP HD1 H 1 6.984 0.030 . 1 . . . . 31 TRP HD1 . 11353 1 291 . 1 1 31 31 TRP HE1 H 1 9.896 0.030 . 1 . . . . 31 TRP HE1 . 11353 1 292 . 1 1 31 31 TRP HE3 H 1 7.094 0.030 . 1 . . . . 31 TRP HE3 . 11353 1 293 . 1 1 31 31 TRP HH2 H 1 7.143 0.030 . 1 . . . . 31 TRP HH2 . 11353 1 294 . 1 1 31 31 TRP HZ2 H 1 7.400 0.030 . 1 . . . . 31 TRP HZ2 . 11353 1 295 . 1 1 31 31 TRP HZ3 H 1 6.880 0.030 . 1 . . . . 31 TRP HZ3 . 11353 1 296 . 1 1 31 31 TRP C C 13 174.877 0.300 . 1 . . . . 31 TRP C . 11353 1 297 . 1 1 31 31 TRP CA C 13 55.978 0.300 . 1 . . . . 31 TRP CA . 11353 1 298 . 1 1 31 31 TRP CB C 13 32.934 0.300 . 1 . . . . 31 TRP CB . 11353 1 299 . 1 1 31 31 TRP CD1 C 13 127.400 0.300 . 1 . . . . 31 TRP CD1 . 11353 1 300 . 1 1 31 31 TRP CE3 C 13 119.851 0.300 . 1 . . . . 31 TRP CE3 . 11353 1 301 . 1 1 31 31 TRP CH2 C 13 124.584 0.300 . 1 . . . . 31 TRP CH2 . 11353 1 302 . 1 1 31 31 TRP CZ2 C 13 114.636 0.300 . 1 . . . . 31 TRP CZ2 . 11353 1 303 . 1 1 31 31 TRP CZ3 C 13 121.889 0.300 . 1 . . . . 31 TRP CZ3 . 11353 1 304 . 1 1 31 31 TRP N N 15 120.187 0.300 . 1 . . . . 31 TRP N . 11353 1 305 . 1 1 31 31 TRP NE1 N 15 128.477 0.300 . 1 . . . . 31 TRP NE1 . 11353 1 306 . 1 1 32 32 PHE H H 1 9.234 0.030 . 1 . . . . 32 PHE H . 11353 1 307 . 1 1 32 32 PHE HA H 1 4.926 0.030 . 1 . . . . 32 PHE HA . 11353 1 308 . 1 1 32 32 PHE HB2 H 1 3.201 0.030 . 2 . . . . 32 PHE HB2 . 11353 1 309 . 1 1 32 32 PHE HB3 H 1 2.774 0.030 . 2 . . . . 32 PHE HB3 . 11353 1 310 . 1 1 32 32 PHE HD1 H 1 7.580 0.030 . 1 . . . . 32 PHE HD1 . 11353 1 311 . 1 1 32 32 PHE HD2 H 1 7.580 0.030 . 1 . . . . 32 PHE HD2 . 11353 1 312 . 1 1 32 32 PHE HE1 H 1 7.349 0.030 . 1 . . . . 32 PHE HE1 . 11353 1 313 . 1 1 32 32 PHE HE2 H 1 7.349 0.030 . 1 . . . . 32 PHE HE2 . 11353 1 314 . 1 1 32 32 PHE HZ H 1 7.870 0.030 . 1 . . . . 32 PHE HZ . 11353 1 315 . 1 1 32 32 PHE C C 13 176.195 0.300 . 1 . . . . 32 PHE C . 11353 1 316 . 1 1 32 32 PHE CA C 13 55.950 0.300 . 1 . . . . 32 PHE CA . 11353 1 317 . 1 1 32 32 PHE CB C 13 42.736 0.300 . 1 . . . . 32 PHE CB . 11353 1 318 . 1 1 32 32 PHE CD1 C 13 132.679 0.300 . 1 . . . . 32 PHE CD1 . 11353 1 319 . 1 1 32 32 PHE CD2 C 13 132.679 0.300 . 1 . . . . 32 PHE CD2 . 11353 1 320 . 1 1 32 32 PHE CE1 C 13 130.724 0.300 . 1 . . . . 32 PHE CE1 . 11353 1 321 . 1 1 32 32 PHE CE2 C 13 130.724 0.300 . 1 . . . . 32 PHE CE2 . 11353 1 322 . 1 1 32 32 PHE CZ C 13 131.567 0.300 . 1 . . . . 32 PHE CZ . 11353 1 323 . 1 1 32 32 PHE N N 15 117.651 0.300 . 1 . . . . 32 PHE N . 11353 1 324 . 1 1 33 33 HIS H H 1 9.554 0.030 . 1 . . . . 33 HIS H . 11353 1 325 . 1 1 33 33 HIS HA H 1 4.965 0.030 . 1 . . . . 33 HIS HA . 11353 1 326 . 1 1 33 33 HIS HB2 H 1 3.961 0.030 . 2 . . . . 33 HIS HB2 . 11353 1 327 . 1 1 33 33 HIS HB3 H 1 3.566 0.030 . 2 . . . . 33 HIS HB3 . 11353 1 328 . 1 1 33 33 HIS HD2 H 1 6.861 0.030 . 1 . . . . 33 HIS HD2 . 11353 1 329 . 1 1 33 33 HIS HE1 H 1 7.538 0.030 . 1 . . . . 33 HIS HE1 . 11353 1 330 . 1 1 33 33 HIS C C 13 178.245 0.300 . 1 . . . . 33 HIS C . 11353 1 331 . 1 1 33 33 HIS CA C 13 58.141 0.300 . 1 . . . . 33 HIS CA . 11353 1 332 . 1 1 33 33 HIS CB C 13 30.956 0.300 . 1 . . . . 33 HIS CB . 11353 1 333 . 1 1 33 33 HIS CD2 C 13 118.603 0.300 . 1 . . . . 33 HIS CD2 . 11353 1 334 . 1 1 33 33 HIS CE1 C 13 137.980 0.300 . 1 . . . . 33 HIS CE1 . 11353 1 335 . 1 1 33 33 HIS N N 15 123.546 0.300 . 1 . . . . 33 HIS N . 11353 1 336 . 1 1 34 34 TYR H H 1 8.577 0.030 . 1 . . . . 34 TYR H . 11353 1 337 . 1 1 34 34 TYR HA H 1 3.932 0.030 . 1 . . . . 34 TYR HA . 11353 1 338 . 1 1 34 34 TYR HB2 H 1 3.219 0.030 . 2 . . . . 34 TYR HB2 . 11353 1 339 . 1 1 34 34 TYR HB3 H 1 2.943 0.030 . 2 . . . . 34 TYR HB3 . 11353 1 340 . 1 1 34 34 TYR HD1 H 1 6.528 0.030 . 1 . . . . 34 TYR HD1 . 11353 1 341 . 1 1 34 34 TYR HD2 H 1 6.528 0.030 . 1 . . . . 34 TYR HD2 . 11353 1 342 . 1 1 34 34 TYR HE1 H 1 6.333 0.030 . 1 . . . . 34 TYR HE1 . 11353 1 343 . 1 1 34 34 TYR HE2 H 1 6.333 0.030 . 1 . . . . 34 TYR HE2 . 11353 1 344 . 1 1 34 34 TYR C C 13 178.896 0.300 . 1 . . . . 34 TYR C . 11353 1 345 . 1 1 34 34 TYR CA C 13 60.621 0.300 . 1 . . . . 34 TYR CA . 11353 1 346 . 1 1 34 34 TYR CB C 13 36.764 0.300 . 1 . . . . 34 TYR CB . 11353 1 347 . 1 1 34 34 TYR CD1 C 13 130.329 0.300 . 1 . . . . 34 TYR CD1 . 11353 1 348 . 1 1 34 34 TYR CD2 C 13 130.329 0.300 . 1 . . . . 34 TYR CD2 . 11353 1 349 . 1 1 34 34 TYR CE1 C 13 117.731 0.300 . 1 . . . . 34 TYR CE1 . 11353 1 350 . 1 1 34 34 TYR CE2 C 13 117.731 0.300 . 1 . . . . 34 TYR CE2 . 11353 1 351 . 1 1 34 34 TYR N N 15 124.231 0.300 . 1 . . . . 34 TYR N . 11353 1 352 . 1 1 35 35 GLY H H 1 9.182 0.030 . 1 . . . . 35 GLY H . 11353 1 353 . 1 1 35 35 GLY HA2 H 1 4.090 0.030 . 2 . . . . 35 GLY HA2 . 11353 1 354 . 1 1 35 35 GLY HA3 H 1 3.967 0.030 . 2 . . . . 35 GLY HA3 . 11353 1 355 . 1 1 35 35 GLY C C 13 177.040 0.300 . 1 . . . . 35 GLY C . 11353 1 356 . 1 1 35 35 GLY CA C 13 46.715 0.300 . 1 . . . . 35 GLY CA . 11353 1 357 . 1 1 35 35 GLY N N 15 102.547 0.300 . 1 . . . . 35 GLY N . 11353 1 358 . 1 1 36 36 CYS H H 1 7.441 0.030 . 1 . . . . 36 CYS H . 11353 1 359 . 1 1 36 36 CYS HA H 1 4.360 0.030 . 1 . . . . 36 CYS HA . 11353 1 360 . 1 1 36 36 CYS HB2 H 1 3.300 0.030 . 2 . . . . 36 CYS HB2 . 11353 1 361 . 1 1 36 36 CYS HB3 H 1 3.260 0.030 . 2 . . . . 36 CYS HB3 . 11353 1 362 . 1 1 36 36 CYS C C 13 176.780 0.300 . 1 . . . . 36 CYS C . 11353 1 363 . 1 1 36 36 CYS CA C 13 62.228 0.300 . 1 . . . . 36 CYS CA . 11353 1 364 . 1 1 36 36 CYS CB C 13 30.536 0.300 . 1 . . . . 36 CYS CB . 11353 1 365 . 1 1 36 36 CYS N N 15 119.838 0.300 . 1 . . . . 36 CYS N . 11353 1 366 . 1 1 37 37 VAL H H 1 7.344 0.030 . 1 . . . . 37 VAL H . 11353 1 367 . 1 1 37 37 VAL HA H 1 4.741 0.030 . 1 . . . . 37 VAL HA . 11353 1 368 . 1 1 37 37 VAL HB H 1 2.800 0.030 . 1 . . . . 37 VAL HB . 11353 1 369 . 1 1 37 37 VAL HG11 H 1 1.002 0.030 . 1 . . . . 37 VAL HG1 . 11353 1 370 . 1 1 37 37 VAL HG12 H 1 1.002 0.030 . 1 . . . . 37 VAL HG1 . 11353 1 371 . 1 1 37 37 VAL HG13 H 1 1.002 0.030 . 1 . . . . 37 VAL HG1 . 11353 1 372 . 1 1 37 37 VAL HG21 H 1 0.851 0.030 . 1 . . . . 37 VAL HG2 . 11353 1 373 . 1 1 37 37 VAL HG22 H 1 0.851 0.030 . 1 . . . . 37 VAL HG2 . 11353 1 374 . 1 1 37 37 VAL HG23 H 1 0.851 0.030 . 1 . . . . 37 VAL HG2 . 11353 1 375 . 1 1 37 37 VAL C C 13 175.789 0.300 . 1 . . . . 37 VAL C . 11353 1 376 . 1 1 37 37 VAL CA C 13 60.095 0.300 . 1 . . . . 37 VAL CA . 11353 1 377 . 1 1 37 37 VAL CB C 13 32.055 0.300 . 1 . . . . 37 VAL CB . 11353 1 378 . 1 1 37 37 VAL CG1 C 13 22.341 0.300 . 2 . . . . 37 VAL CG1 . 11353 1 379 . 1 1 37 37 VAL CG2 C 13 18.002 0.300 . 2 . . . . 37 VAL CG2 . 11353 1 380 . 1 1 37 37 VAL N N 15 106.899 0.300 . 1 . . . . 37 VAL N . 11353 1 381 . 1 1 38 38 GLY H H 1 7.598 0.030 . 1 . . . . 38 GLY H . 11353 1 382 . 1 1 38 38 GLY HA2 H 1 4.048 0.030 . 2 . . . . 38 GLY HA2 . 11353 1 383 . 1 1 38 38 GLY HA3 H 1 3.880 0.030 . 2 . . . . 38 GLY HA3 . 11353 1 384 . 1 1 38 38 GLY C C 13 174.644 0.300 . 1 . . . . 38 GLY C . 11353 1 385 . 1 1 38 38 GLY CA C 13 46.844 0.300 . 1 . . . . 38 GLY CA . 11353 1 386 . 1 1 38 38 GLY N N 15 109.117 0.300 . 1 . . . . 38 GLY N . 11353 1 387 . 1 1 39 39 LEU H H 1 7.936 0.030 . 1 . . . . 39 LEU H . 11353 1 388 . 1 1 39 39 LEU HA H 1 4.572 0.030 . 1 . . . . 39 LEU HA . 11353 1 389 . 1 1 39 39 LEU HB2 H 1 0.986 0.030 . 2 . . . . 39 LEU HB2 . 11353 1 390 . 1 1 39 39 LEU HB3 H 1 0.791 0.030 . 2 . . . . 39 LEU HB3 . 11353 1 391 . 1 1 39 39 LEU HD11 H 1 -0.220 0.030 . 1 . . . . 39 LEU HD1 . 11353 1 392 . 1 1 39 39 LEU HD12 H 1 -0.220 0.030 . 1 . . . . 39 LEU HD1 . 11353 1 393 . 1 1 39 39 LEU HD13 H 1 -0.220 0.030 . 1 . . . . 39 LEU HD1 . 11353 1 394 . 1 1 39 39 LEU HD21 H 1 0.624 0.030 . 1 . . . . 39 LEU HD2 . 11353 1 395 . 1 1 39 39 LEU HD22 H 1 0.624 0.030 . 1 . . . . 39 LEU HD2 . 11353 1 396 . 1 1 39 39 LEU HD23 H 1 0.624 0.030 . 1 . . . . 39 LEU HD2 . 11353 1 397 . 1 1 39 39 LEU HG H 1 1.281 0.030 . 1 . . . . 39 LEU HG . 11353 1 398 . 1 1 39 39 LEU C C 13 177.406 0.300 . 1 . . . . 39 LEU C . 11353 1 399 . 1 1 39 39 LEU CA C 13 53.963 0.300 . 1 . . . . 39 LEU CA . 11353 1 400 . 1 1 39 39 LEU CB C 13 43.638 0.300 . 1 . . . . 39 LEU CB . 11353 1 401 . 1 1 39 39 LEU CD1 C 13 25.421 0.300 . 2 . . . . 39 LEU CD1 . 11353 1 402 . 1 1 39 39 LEU CD2 C 13 22.601 0.300 . 2 . . . . 39 LEU CD2 . 11353 1 403 . 1 1 39 39 LEU CG C 13 26.465 0.300 . 1 . . . . 39 LEU CG . 11353 1 404 . 1 1 39 39 LEU N N 15 119.737 0.300 . 1 . . . . 39 LEU N . 11353 1 405 . 1 1 40 40 THR H H 1 8.820 0.030 . 1 . . . . 40 THR H . 11353 1 406 . 1 1 40 40 THR HA H 1 4.390 0.030 . 1 . . . . 40 THR HA . 11353 1 407 . 1 1 40 40 THR HB H 1 4.379 0.030 . 1 . . . . 40 THR HB . 11353 1 408 . 1 1 40 40 THR HG21 H 1 1.143 0.030 . 1 . . . . 40 THR HG2 . 11353 1 409 . 1 1 40 40 THR HG22 H 1 1.143 0.030 . 1 . . . . 40 THR HG2 . 11353 1 410 . 1 1 40 40 THR HG23 H 1 1.143 0.030 . 1 . . . . 40 THR HG2 . 11353 1 411 . 1 1 40 40 THR C C 13 173.666 0.300 . 1 . . . . 40 THR C . 11353 1 412 . 1 1 40 40 THR CA C 13 61.639 0.300 . 1 . . . . 40 THR CA . 11353 1 413 . 1 1 40 40 THR CB C 13 69.596 0.300 . 1 . . . . 40 THR CB . 11353 1 414 . 1 1 40 40 THR CG2 C 13 21.851 0.300 . 1 . . . . 40 THR CG2 . 11353 1 415 . 1 1 40 40 THR N N 15 110.687 0.300 . 1 . . . . 40 THR N . 11353 1 416 . 1 1 41 41 GLU H H 1 7.485 0.030 . 1 . . . . 41 GLU H . 11353 1 417 . 1 1 41 41 GLU HA H 1 4.550 0.030 . 1 . . . . 41 GLU HA . 11353 1 418 . 1 1 41 41 GLU HB2 H 1 2.148 0.030 . 2 . . . . 41 GLU HB2 . 11353 1 419 . 1 1 41 41 GLU HB3 H 1 1.910 0.030 . 2 . . . . 41 GLU HB3 . 11353 1 420 . 1 1 41 41 GLU HG2 H 1 2.122 0.030 . 2 . . . . 41 GLU HG2 . 11353 1 421 . 1 1 41 41 GLU HG3 H 1 2.019 0.030 . 2 . . . . 41 GLU HG3 . 11353 1 422 . 1 1 41 41 GLU C C 13 173.660 0.300 . 1 . . . . 41 GLU C . 11353 1 423 . 1 1 41 41 GLU CA C 13 54.263 0.300 . 1 . . . . 41 GLU CA . 11353 1 424 . 1 1 41 41 GLU CB C 13 32.290 0.300 . 1 . . . . 41 GLU CB . 11353 1 425 . 1 1 41 41 GLU CG C 13 34.952 0.300 . 1 . . . . 41 GLU CG . 11353 1 426 . 1 1 41 41 GLU N N 15 118.762 0.300 . 1 . . . . 41 GLU N . 11353 1 427 . 1 1 42 42 ALA H H 1 8.543 0.030 . 1 . . . . 42 ALA H . 11353 1 428 . 1 1 42 42 ALA HA H 1 4.167 0.030 . 1 . . . . 42 ALA HA . 11353 1 429 . 1 1 42 42 ALA HB1 H 1 1.345 0.030 . 1 . . . . 42 ALA HB . 11353 1 430 . 1 1 42 42 ALA HB2 H 1 1.345 0.030 . 1 . . . . 42 ALA HB . 11353 1 431 . 1 1 42 42 ALA HB3 H 1 1.345 0.030 . 1 . . . . 42 ALA HB . 11353 1 432 . 1 1 42 42 ALA C C 13 176.058 0.300 . 1 . . . . 42 ALA C . 11353 1 433 . 1 1 42 42 ALA CA C 13 50.959 0.300 . 1 . . . . 42 ALA CA . 11353 1 434 . 1 1 42 42 ALA CB C 13 17.362 0.300 . 1 . . . . 42 ALA CB . 11353 1 435 . 1 1 42 42 ALA N N 15 124.263 0.300 . 1 . . . . 42 ALA N . 11353 1 436 . 1 1 43 43 PRO HA H 1 4.331 0.030 . 1 . . . . 43 PRO HA . 11353 1 437 . 1 1 43 43 PRO HB2 H 1 2.217 0.030 . 2 . . . . 43 PRO HB2 . 11353 1 438 . 1 1 43 43 PRO HB3 H 1 1.962 0.030 . 2 . . . . 43 PRO HB3 . 11353 1 439 . 1 1 43 43 PRO HD2 H 1 3.483 0.030 . 2 . . . . 43 PRO HD2 . 11353 1 440 . 1 1 43 43 PRO HD3 H 1 3.305 0.030 . 2 . . . . 43 PRO HD3 . 11353 1 441 . 1 1 43 43 PRO HG2 H 1 1.780 0.030 . 2 . . . . 43 PRO HG2 . 11353 1 442 . 1 1 43 43 PRO HG3 H 1 1.496 0.030 . 2 . . . . 43 PRO HG3 . 11353 1 443 . 1 1 43 43 PRO C C 13 176.823 0.300 . 1 . . . . 43 PRO C . 11353 1 444 . 1 1 43 43 PRO CA C 13 62.757 0.300 . 1 . . . . 43 PRO CA . 11353 1 445 . 1 1 43 43 PRO CB C 13 32.130 0.300 . 1 . . . . 43 PRO CB . 11353 1 446 . 1 1 43 43 PRO CD C 13 50.126 0.300 . 1 . . . . 43 PRO CD . 11353 1 447 . 1 1 43 43 PRO CG C 13 27.460 0.300 . 1 . . . . 43 PRO CG . 11353 1 448 . 1 1 44 44 LYS H H 1 8.609 0.030 . 1 . . . . 44 LYS H . 11353 1 449 . 1 1 44 44 LYS HA H 1 4.356 0.030 . 1 . . . . 44 LYS HA . 11353 1 450 . 1 1 44 44 LYS HB2 H 1 1.861 0.030 . 2 . . . . 44 LYS HB2 . 11353 1 451 . 1 1 44 44 LYS HB3 H 1 1.716 0.030 . 2 . . . . 44 LYS HB3 . 11353 1 452 . 1 1 44 44 LYS HD2 H 1 1.664 0.030 . 1 . . . . 44 LYS HD2 . 11353 1 453 . 1 1 44 44 LYS HD3 H 1 1.664 0.030 . 1 . . . . 44 LYS HD3 . 11353 1 454 . 1 1 44 44 LYS HE2 H 1 2.999 0.030 . 1 . . . . 44 LYS HE2 . 11353 1 455 . 1 1 44 44 LYS HE3 H 1 2.999 0.030 . 1 . . . . 44 LYS HE3 . 11353 1 456 . 1 1 44 44 LYS HG2 H 1 1.503 0.030 . 2 . . . . 44 LYS HG2 . 11353 1 457 . 1 1 44 44 LYS HG3 H 1 1.426 0.030 . 2 . . . . 44 LYS HG3 . 11353 1 458 . 1 1 44 44 LYS C C 13 176.853 0.300 . 1 . . . . 44 LYS C . 11353 1 459 . 1 1 44 44 LYS CA C 13 56.004 0.300 . 1 . . . . 44 LYS CA . 11353 1 460 . 1 1 44 44 LYS CB C 13 32.591 0.300 . 1 . . . . 44 LYS CB . 11353 1 461 . 1 1 44 44 LYS CD C 13 28.873 0.300 . 1 . . . . 44 LYS CD . 11353 1 462 . 1 1 44 44 LYS CE C 13 42.301 0.300 . 1 . . . . 44 LYS CE . 11353 1 463 . 1 1 44 44 LYS CG C 13 25.037 0.300 . 1 . . . . 44 LYS CG . 11353 1 464 . 1 1 44 44 LYS N N 15 122.128 0.300 . 1 . . . . 44 LYS N . 11353 1 465 . 1 1 45 45 GLY H H 1 7.974 0.030 . 1 . . . . 45 GLY H . 11353 1 466 . 1 1 45 45 GLY HA2 H 1 4.039 0.030 . 2 . . . . 45 GLY HA2 . 11353 1 467 . 1 1 45 45 GLY HA3 H 1 3.890 0.030 . 2 . . . . 45 GLY HA3 . 11353 1 468 . 1 1 45 45 GLY C C 13 173.147 0.300 . 1 . . . . 45 GLY C . 11353 1 469 . 1 1 45 45 GLY CA C 13 44.400 0.300 . 1 . . . . 45 GLY CA . 11353 1 470 . 1 1 45 45 GLY N N 15 110.637 0.300 . 1 . . . . 45 GLY N . 11353 1 471 . 1 1 46 46 LYS H H 1 8.205 0.030 . 1 . . . . 46 LYS H . 11353 1 472 . 1 1 46 46 LYS HA H 1 4.279 0.030 . 1 . . . . 46 LYS HA . 11353 1 473 . 1 1 46 46 LYS HB2 H 1 1.706 0.030 . 2 . . . . 46 LYS HB2 . 11353 1 474 . 1 1 46 46 LYS HB3 H 1 1.370 0.030 . 2 . . . . 46 LYS HB3 . 11353 1 475 . 1 1 46 46 LYS HD2 H 1 1.671 0.030 . 2 . . . . 46 LYS HD2 . 11353 1 476 . 1 1 46 46 LYS HD3 H 1 1.573 0.030 . 2 . . . . 46 LYS HD3 . 11353 1 477 . 1 1 46 46 LYS HE2 H 1 2.979 0.030 . 1 . . . . 46 LYS HE2 . 11353 1 478 . 1 1 46 46 LYS HE3 H 1 2.979 0.030 . 1 . . . . 46 LYS HE3 . 11353 1 479 . 1 1 46 46 LYS HG2 H 1 1.504 0.030 . 2 . . . . 46 LYS HG2 . 11353 1 480 . 1 1 46 46 LYS HG3 H 1 1.348 0.030 . 2 . . . . 46 LYS HG3 . 11353 1 481 . 1 1 46 46 LYS C C 13 176.368 0.300 . 1 . . . . 46 LYS C . 11353 1 482 . 1 1 46 46 LYS CA C 13 56.150 0.300 . 1 . . . . 46 LYS CA . 11353 1 483 . 1 1 46 46 LYS CB C 13 33.464 0.300 . 1 . . . . 46 LYS CB . 11353 1 484 . 1 1 46 46 LYS CD C 13 28.974 0.300 . 1 . . . . 46 LYS CD . 11353 1 485 . 1 1 46 46 LYS CE C 13 42.402 0.300 . 1 . . . . 46 LYS CE . 11353 1 486 . 1 1 46 46 LYS CG C 13 25.187 0.300 . 1 . . . . 46 LYS CG . 11353 1 487 . 1 1 46 46 LYS N N 15 120.968 0.300 . 1 . . . . 46 LYS N . 11353 1 488 . 1 1 47 47 TRP H H 1 9.515 0.030 . 1 . . . . 47 TRP H . 11353 1 489 . 1 1 47 47 TRP HA H 1 4.313 0.030 . 1 . . . . 47 TRP HA . 11353 1 490 . 1 1 47 47 TRP HB2 H 1 3.146 0.030 . 2 . . . . 47 TRP HB2 . 11353 1 491 . 1 1 47 47 TRP HB3 H 1 2.663 0.030 . 2 . . . . 47 TRP HB3 . 11353 1 492 . 1 1 47 47 TRP HD1 H 1 7.205 0.030 . 1 . . . . 47 TRP HD1 . 11353 1 493 . 1 1 47 47 TRP HE1 H 1 9.899 0.030 . 1 . . . . 47 TRP HE1 . 11353 1 494 . 1 1 47 47 TRP HE3 H 1 7.413 0.030 . 1 . . . . 47 TRP HE3 . 11353 1 495 . 1 1 47 47 TRP HH2 H 1 5.862 0.030 . 1 . . . . 47 TRP HH2 . 11353 1 496 . 1 1 47 47 TRP HZ2 H 1 6.952 0.030 . 1 . . . . 47 TRP HZ2 . 11353 1 497 . 1 1 47 47 TRP HZ3 H 1 6.364 0.030 . 1 . . . . 47 TRP HZ3 . 11353 1 498 . 1 1 47 47 TRP C C 13 171.963 0.300 . 1 . . . . 47 TRP C . 11353 1 499 . 1 1 47 47 TRP CA C 13 58.799 0.300 . 1 . . . . 47 TRP CA . 11353 1 500 . 1 1 47 47 TRP CB C 13 31.622 0.300 . 1 . . . . 47 TRP CB . 11353 1 501 . 1 1 47 47 TRP CD1 C 13 126.144 0.300 . 1 . . . . 47 TRP CD1 . 11353 1 502 . 1 1 47 47 TRP CE3 C 13 122.834 0.300 . 1 . . . . 47 TRP CE3 . 11353 1 503 . 1 1 47 47 TRP CH2 C 13 122.593 0.300 . 1 . . . . 47 TRP CH2 . 11353 1 504 . 1 1 47 47 TRP CZ2 C 13 112.879 0.300 . 1 . . . . 47 TRP CZ2 . 11353 1 505 . 1 1 47 47 TRP CZ3 C 13 120.265 0.300 . 1 . . . . 47 TRP CZ3 . 11353 1 506 . 1 1 47 47 TRP N N 15 127.074 0.300 . 1 . . . . 47 TRP N . 11353 1 507 . 1 1 47 47 TRP NE1 N 15 128.309 0.300 . 1 . . . . 47 TRP NE1 . 11353 1 508 . 1 1 48 48 TYR H H 1 7.000 0.030 . 1 . . . . 48 TYR H . 11353 1 509 . 1 1 48 48 TYR HA H 1 5.115 0.030 . 1 . . . . 48 TYR HA . 11353 1 510 . 1 1 48 48 TYR HB2 H 1 2.378 0.030 . 2 . . . . 48 TYR HB2 . 11353 1 511 . 1 1 48 48 TYR HB3 H 1 2.246 0.030 . 2 . . . . 48 TYR HB3 . 11353 1 512 . 1 1 48 48 TYR HD1 H 1 6.828 0.030 . 1 . . . . 48 TYR HD1 . 11353 1 513 . 1 1 48 48 TYR HD2 H 1 6.828 0.030 . 1 . . . . 48 TYR HD2 . 11353 1 514 . 1 1 48 48 TYR HE1 H 1 6.421 0.030 . 1 . . . . 48 TYR HE1 . 11353 1 515 . 1 1 48 48 TYR HE2 H 1 6.421 0.030 . 1 . . . . 48 TYR HE2 . 11353 1 516 . 1 1 48 48 TYR C C 13 173.799 0.300 . 1 . . . . 48 TYR C . 11353 1 517 . 1 1 48 48 TYR CA C 13 54.263 0.300 . 1 . . . . 48 TYR CA . 11353 1 518 . 1 1 48 48 TYR CB C 13 41.239 0.300 . 1 . . . . 48 TYR CB . 11353 1 519 . 1 1 48 48 TYR CD1 C 13 133.511 0.300 . 1 . . . . 48 TYR CD1 . 11353 1 520 . 1 1 48 48 TYR CD2 C 13 133.511 0.300 . 1 . . . . 48 TYR CD2 . 11353 1 521 . 1 1 48 48 TYR CE1 C 13 117.585 0.300 . 1 . . . . 48 TYR CE1 . 11353 1 522 . 1 1 48 48 TYR CE2 C 13 117.585 0.300 . 1 . . . . 48 TYR CE2 . 11353 1 523 . 1 1 48 48 TYR N N 15 123.468 0.300 . 1 . . . . 48 TYR N . 11353 1 524 . 1 1 49 49 CYS H H 1 8.789 0.030 . 1 . . . . 49 CYS H . 11353 1 525 . 1 1 49 49 CYS HA H 1 3.580 0.030 . 1 . . . . 49 CYS HA . 11353 1 526 . 1 1 49 49 CYS HB2 H 1 2.289 0.030 . 2 . . . . 49 CYS HB2 . 11353 1 527 . 1 1 49 49 CYS HB3 H 1 1.960 0.030 . 2 . . . . 49 CYS HB3 . 11353 1 528 . 1 1 49 49 CYS C C 13 174.899 0.300 . 1 . . . . 49 CYS C . 11353 1 529 . 1 1 49 49 CYS CA C 13 57.549 0.300 . 1 . . . . 49 CYS CA . 11353 1 530 . 1 1 49 49 CYS CB C 13 30.163 0.300 . 1 . . . . 49 CYS CB . 11353 1 531 . 1 1 49 49 CYS N N 15 125.138 0.300 . 1 . . . . 49 CYS N . 11353 1 532 . 1 1 50 50 PRO HA H 1 4.076 0.030 . 1 . . . . 50 PRO HA . 11353 1 533 . 1 1 50 50 PRO HB2 H 1 2.399 0.030 . 2 . . . . 50 PRO HB2 . 11353 1 534 . 1 1 50 50 PRO HB3 H 1 1.962 0.030 . 2 . . . . 50 PRO HB3 . 11353 1 535 . 1 1 50 50 PRO HD2 H 1 3.553 0.030 . 2 . . . . 50 PRO HD2 . 11353 1 536 . 1 1 50 50 PRO HD3 H 1 3.480 0.030 . 2 . . . . 50 PRO HD3 . 11353 1 537 . 1 1 50 50 PRO HG2 H 1 2.209 0.030 . 2 . . . . 50 PRO HG2 . 11353 1 538 . 1 1 50 50 PRO HG3 H 1 2.060 0.030 . 2 . . . . 50 PRO HG3 . 11353 1 539 . 1 1 50 50 PRO C C 13 179.576 0.300 . 1 . . . . 50 PRO C . 11353 1 540 . 1 1 50 50 PRO CA C 13 66.462 0.300 . 1 . . . . 50 PRO CA . 11353 1 541 . 1 1 50 50 PRO CB C 13 32.044 0.300 . 1 . . . . 50 PRO CB . 11353 1 542 . 1 1 50 50 PRO CD C 13 50.343 0.300 . 1 . . . . 50 PRO CD . 11353 1 543 . 1 1 50 50 PRO CG C 13 28.019 0.300 . 1 . . . . 50 PRO CG . 11353 1 544 . 1 1 51 51 GLN H H 1 8.429 0.030 . 1 . . . . 51 GLN H . 11353 1 545 . 1 1 51 51 GLN HA H 1 4.149 0.030 . 1 . . . . 51 GLN HA . 11353 1 546 . 1 1 51 51 GLN HB2 H 1 2.290 0.030 . 2 . . . . 51 GLN HB2 . 11353 1 547 . 1 1 51 51 GLN HB3 H 1 2.160 0.030 . 2 . . . . 51 GLN HB3 . 11353 1 548 . 1 1 51 51 GLN HE21 H 1 6.816 0.030 . 2 . . . . 51 GLN HE21 . 11353 1 549 . 1 1 51 51 GLN HE22 H 1 7.647 0.030 . 2 . . . . 51 GLN HE22 . 11353 1 550 . 1 1 51 51 GLN HG2 H 1 2.450 0.030 . 1 . . . . 51 GLN HG2 . 11353 1 551 . 1 1 51 51 GLN HG3 H 1 2.450 0.030 . 1 . . . . 51 GLN HG3 . 11353 1 552 . 1 1 51 51 GLN C C 13 179.162 0.300 . 1 . . . . 51 GLN C . 11353 1 553 . 1 1 51 51 GLN CA C 13 59.537 0.300 . 1 . . . . 51 GLN CA . 11353 1 554 . 1 1 51 51 GLN CB C 13 28.931 0.300 . 1 . . . . 51 GLN CB . 11353 1 555 . 1 1 51 51 GLN CG C 13 34.660 0.300 . 1 . . . . 51 GLN CG . 11353 1 556 . 1 1 51 51 GLN N N 15 119.437 0.300 . 1 . . . . 51 GLN N . 11353 1 557 . 1 1 51 51 GLN NE2 N 15 111.404 0.300 . 1 . . . . 51 GLN NE2 . 11353 1 558 . 1 1 52 52 CYS H H 1 9.149 0.030 . 1 . . . . 52 CYS H . 11353 1 559 . 1 1 52 52 CYS HA H 1 3.920 0.030 . 1 . . . . 52 CYS HA . 11353 1 560 . 1 1 52 52 CYS HB2 H 1 2.850 0.030 . 2 . . . . 52 CYS HB2 . 11353 1 561 . 1 1 52 52 CYS HB3 H 1 2.792 0.030 . 2 . . . . 52 CYS HB3 . 11353 1 562 . 1 1 52 52 CYS C C 13 178.264 0.300 . 1 . . . . 52 CYS C . 11353 1 563 . 1 1 52 52 CYS CA C 13 65.052 0.300 . 1 . . . . 52 CYS CA . 11353 1 564 . 1 1 52 52 CYS CB C 13 28.879 0.300 . 1 . . . . 52 CYS CB . 11353 1 565 . 1 1 52 52 CYS N N 15 126.900 0.300 . 1 . . . . 52 CYS N . 11353 1 566 . 1 1 53 53 THR H H 1 8.712 0.030 . 1 . . . . 53 THR H . 11353 1 567 . 1 1 53 53 THR HA H 1 3.519 0.030 . 1 . . . . 53 THR HA . 11353 1 568 . 1 1 53 53 THR HB H 1 4.067 0.030 . 1 . . . . 53 THR HB . 11353 1 569 . 1 1 53 53 THR HG21 H 1 1.054 0.030 . 1 . . . . 53 THR HG2 . 11353 1 570 . 1 1 53 53 THR HG22 H 1 1.054 0.030 . 1 . . . . 53 THR HG2 . 11353 1 571 . 1 1 53 53 THR HG23 H 1 1.054 0.030 . 1 . . . . 53 THR HG2 . 11353 1 572 . 1 1 53 53 THR C C 13 176.148 0.300 . 1 . . . . 53 THR C . 11353 1 573 . 1 1 53 53 THR CA C 13 67.394 0.300 . 1 . . . . 53 THR CA . 11353 1 574 . 1 1 53 53 THR CB C 13 68.415 0.300 . 1 . . . . 53 THR CB . 11353 1 575 . 1 1 53 53 THR CG2 C 13 20.594 0.300 . 1 . . . . 53 THR CG2 . 11353 1 576 . 1 1 53 53 THR N N 15 117.383 0.300 . 1 . . . . 53 THR N . 11353 1 577 . 1 1 54 54 ALA H H 1 7.470 0.030 . 1 . . . . 54 ALA H . 11353 1 578 . 1 1 54 54 ALA HA H 1 4.018 0.030 . 1 . . . . 54 ALA HA . 11353 1 579 . 1 1 54 54 ALA HB1 H 1 1.431 0.030 . 1 . . . . 54 ALA HB . 11353 1 580 . 1 1 54 54 ALA HB2 H 1 1.431 0.030 . 1 . . . . 54 ALA HB . 11353 1 581 . 1 1 54 54 ALA HB3 H 1 1.431 0.030 . 1 . . . . 54 ALA HB . 11353 1 582 . 1 1 54 54 ALA C C 13 180.040 0.300 . 1 . . . . 54 ALA C . 11353 1 583 . 1 1 54 54 ALA CA C 13 54.949 0.300 . 1 . . . . 54 ALA CA . 11353 1 584 . 1 1 54 54 ALA CB C 13 17.899 0.300 . 1 . . . . 54 ALA CB . 11353 1 585 . 1 1 54 54 ALA N N 15 122.769 0.300 . 1 . . . . 54 ALA N . 11353 1 586 . 1 1 55 55 ALA H H 1 7.744 0.030 . 1 . . . . 55 ALA H . 11353 1 587 . 1 1 55 55 ALA HA H 1 4.030 0.030 . 1 . . . . 55 ALA HA . 11353 1 588 . 1 1 55 55 ALA HB1 H 1 1.415 0.030 . 1 . . . . 55 ALA HB . 11353 1 589 . 1 1 55 55 ALA HB2 H 1 1.415 0.030 . 1 . . . . 55 ALA HB . 11353 1 590 . 1 1 55 55 ALA HB3 H 1 1.415 0.030 . 1 . . . . 55 ALA HB . 11353 1 591 . 1 1 55 55 ALA C C 13 180.220 0.300 . 1 . . . . 55 ALA C . 11353 1 592 . 1 1 55 55 ALA CA C 13 54.771 0.300 . 1 . . . . 55 ALA CA . 11353 1 593 . 1 1 55 55 ALA CB C 13 18.372 0.300 . 1 . . . . 55 ALA CB . 11353 1 594 . 1 1 55 55 ALA N N 15 120.558 0.300 . 1 . . . . 55 ALA N . 11353 1 595 . 1 1 56 56 MET H H 1 8.033 0.030 . 1 . . . . 56 MET H . 11353 1 596 . 1 1 56 56 MET HA H 1 3.957 0.030 . 1 . . . . 56 MET HA . 11353 1 597 . 1 1 56 56 MET HB2 H 1 1.903 0.030 . 1 . . . . 56 MET HB2 . 11353 1 598 . 1 1 56 56 MET HB3 H 1 1.903 0.030 . 1 . . . . 56 MET HB3 . 11353 1 599 . 1 1 56 56 MET HE1 H 1 1.405 0.030 . 1 . . . . 56 MET HE . 11353 1 600 . 1 1 56 56 MET HE2 H 1 1.405 0.030 . 1 . . . . 56 MET HE . 11353 1 601 . 1 1 56 56 MET HE3 H 1 1.405 0.030 . 1 . . . . 56 MET HE . 11353 1 602 . 1 1 56 56 MET HG2 H 1 2.411 0.030 . 2 . . . . 56 MET HG2 . 11353 1 603 . 1 1 56 56 MET HG3 H 1 2.279 0.030 . 2 . . . . 56 MET HG3 . 11353 1 604 . 1 1 56 56 MET C C 13 178.111 0.300 . 1 . . . . 56 MET C . 11353 1 605 . 1 1 56 56 MET CA C 13 58.112 0.300 . 1 . . . . 56 MET CA . 11353 1 606 . 1 1 56 56 MET CB C 13 33.064 0.300 . 1 . . . . 56 MET CB . 11353 1 607 . 1 1 56 56 MET CE C 13 16.139 0.300 . 1 . . . . 56 MET CE . 11353 1 608 . 1 1 56 56 MET CG C 13 32.104 0.300 . 1 . . . . 56 MET CG . 11353 1 609 . 1 1 56 56 MET N N 15 117.391 0.300 . 1 . . . . 56 MET N . 11353 1 610 . 1 1 57 57 LYS H H 1 7.635 0.030 . 1 . . . . 57 LYS H . 11353 1 611 . 1 1 57 57 LYS HA H 1 4.094 0.030 . 1 . . . . 57 LYS HA . 11353 1 612 . 1 1 57 57 LYS HB2 H 1 1.845 0.030 . 2 . . . . 57 LYS HB2 . 11353 1 613 . 1 1 57 57 LYS HB3 H 1 1.787 0.030 . 2 . . . . 57 LYS HB3 . 11353 1 614 . 1 1 57 57 LYS HD2 H 1 1.597 0.030 . 1 . . . . 57 LYS HD2 . 11353 1 615 . 1 1 57 57 LYS HD3 H 1 1.597 0.030 . 1 . . . . 57 LYS HD3 . 11353 1 616 . 1 1 57 57 LYS HE2 H 1 2.886 0.030 . 1 . . . . 57 LYS HE2 . 11353 1 617 . 1 1 57 57 LYS HE3 H 1 2.886 0.030 . 1 . . . . 57 LYS HE3 . 11353 1 618 . 1 1 57 57 LYS HG2 H 1 1.497 0.030 . 2 . . . . 57 LYS HG2 . 11353 1 619 . 1 1 57 57 LYS HG3 H 1 1.376 0.030 . 2 . . . . 57 LYS HG3 . 11353 1 620 . 1 1 57 57 LYS C C 13 177.845 0.300 . 1 . . . . 57 LYS C . 11353 1 621 . 1 1 57 57 LYS CA C 13 57.951 0.300 . 1 . . . . 57 LYS CA . 11353 1 622 . 1 1 57 57 LYS CB C 13 32.485 0.300 . 1 . . . . 57 LYS CB . 11353 1 623 . 1 1 57 57 LYS CD C 13 29.176 0.300 . 1 . . . . 57 LYS CD . 11353 1 624 . 1 1 57 57 LYS CE C 13 42.099 0.300 . 1 . . . . 57 LYS CE . 11353 1 625 . 1 1 57 57 LYS CG C 13 25.154 0.300 . 1 . . . . 57 LYS CG . 11353 1 626 . 1 1 57 57 LYS N N 15 119.345 0.300 . 1 . . . . 57 LYS N . 11353 1 627 . 1 1 58 58 ARG H H 1 7.649 0.030 . 1 . . . . 58 ARG H . 11353 1 628 . 1 1 58 58 ARG HA H 1 4.204 0.030 . 1 . . . . 58 ARG HA . 11353 1 629 . 1 1 58 58 ARG HB2 H 1 1.843 0.030 . 1 . . . . 58 ARG HB2 . 11353 1 630 . 1 1 58 58 ARG HB3 H 1 1.843 0.030 . 1 . . . . 58 ARG HB3 . 11353 1 631 . 1 1 58 58 ARG HD2 H 1 3.157 0.030 . 1 . . . . 58 ARG HD2 . 11353 1 632 . 1 1 58 58 ARG HD3 H 1 3.157 0.030 . 1 . . . . 58 ARG HD3 . 11353 1 633 . 1 1 58 58 ARG HG2 H 1 1.679 0.030 . 2 . . . . 58 ARG HG2 . 11353 1 634 . 1 1 58 58 ARG HG3 H 1 1.572 0.030 . 2 . . . . 58 ARG HG3 . 11353 1 635 . 1 1 58 58 ARG C C 13 177.093 0.300 . 1 . . . . 58 ARG C . 11353 1 636 . 1 1 58 58 ARG CA C 13 57.224 0.300 . 1 . . . . 58 ARG CA . 11353 1 637 . 1 1 58 58 ARG CB C 13 30.569 0.300 . 1 . . . . 58 ARG CB . 11353 1 638 . 1 1 58 58 ARG CD C 13 43.512 0.300 . 1 . . . . 58 ARG CD . 11353 1 639 . 1 1 58 58 ARG CG C 13 27.460 0.300 . 1 . . . . 58 ARG CG . 11353 1 640 . 1 1 58 58 ARG N N 15 118.960 0.300 . 1 . . . . 58 ARG N . 11353 1 641 . 1 1 59 59 ARG H H 1 7.919 0.030 . 1 . . . . 59 ARG H . 11353 1 642 . 1 1 59 59 ARG HA H 1 4.213 0.030 . 1 . . . . 59 ARG HA . 11353 1 643 . 1 1 59 59 ARG HB2 H 1 1.816 0.030 . 1 . . . . 59 ARG HB2 . 11353 1 644 . 1 1 59 59 ARG HB3 H 1 1.816 0.030 . 1 . . . . 59 ARG HB3 . 11353 1 645 . 1 1 59 59 ARG HD2 H 1 3.129 0.030 . 1 . . . . 59 ARG HD2 . 11353 1 646 . 1 1 59 59 ARG HD3 H 1 3.129 0.030 . 1 . . . . 59 ARG HD3 . 11353 1 647 . 1 1 59 59 ARG HG2 H 1 1.637 0.030 . 1 . . . . 59 ARG HG2 . 11353 1 648 . 1 1 59 59 ARG HG3 H 1 1.637 0.030 . 1 . . . . 59 ARG HG3 . 11353 1 649 . 1 1 59 59 ARG C C 13 177.320 0.300 . 1 . . . . 59 ARG C . 11353 1 650 . 1 1 59 59 ARG CA C 13 57.189 0.300 . 1 . . . . 59 ARG CA . 11353 1 651 . 1 1 59 59 ARG CB C 13 30.697 0.300 . 1 . . . . 59 ARG CB . 11353 1 652 . 1 1 59 59 ARG CD C 13 43.389 0.300 . 1 . . . . 59 ARG CD . 11353 1 653 . 1 1 59 59 ARG CG C 13 27.258 0.300 . 1 . . . . 59 ARG CG . 11353 1 654 . 1 1 59 59 ARG N N 15 120.108 0.300 . 1 . . . . 59 ARG N . 11353 1 655 . 1 1 60 60 GLY H H 1 8.182 0.030 . 1 . . . . 60 GLY H . 11353 1 656 . 1 1 60 60 GLY HA2 H 1 3.985 0.030 . 1 . . . . 60 GLY HA2 . 11353 1 657 . 1 1 60 60 GLY HA3 H 1 3.985 0.030 . 1 . . . . 60 GLY HA3 . 11353 1 658 . 1 1 60 60 GLY C C 13 174.225 0.300 . 1 . . . . 60 GLY C . 11353 1 659 . 1 1 60 60 GLY CA C 13 45.386 0.300 . 1 . . . . 60 GLY CA . 11353 1 660 . 1 1 60 60 GLY N N 15 108.582 0.300 . 1 . . . . 60 GLY N . 11353 1 661 . 1 1 61 61 SER H H 1 8.180 0.030 . 1 . . . . 61 SER H . 11353 1 662 . 1 1 61 61 SER HA H 1 4.476 0.030 . 1 . . . . 61 SER HA . 11353 1 663 . 1 1 61 61 SER HB2 H 1 3.912 0.030 . 1 . . . . 61 SER HB2 . 11353 1 664 . 1 1 61 61 SER HB3 H 1 3.912 0.030 . 1 . . . . 61 SER HB3 . 11353 1 665 . 1 1 61 61 SER C C 13 174.247 0.300 . 1 . . . . 61 SER C . 11353 1 666 . 1 1 61 61 SER CA C 13 58.254 0.300 . 1 . . . . 61 SER CA . 11353 1 667 . 1 1 61 61 SER CB C 13 63.988 0.300 . 1 . . . . 61 SER CB . 11353 1 668 . 1 1 61 61 SER N N 15 115.712 0.300 . 1 . . . . 61 SER N . 11353 1 669 . 1 1 62 62 ARG HA H 1 4.304 0.030 . 1 . . . . 62 ARG HA . 11353 1 670 . 1 1 62 62 ARG HB2 H 1 1.779 0.030 . 2 . . . . 62 ARG HB2 . 11353 1 671 . 1 1 62 62 ARG HB3 H 1 1.695 0.030 . 2 . . . . 62 ARG HB3 . 11353 1 672 . 1 1 62 62 ARG HD2 H 1 3.118 0.030 . 1 . . . . 62 ARG HD2 . 11353 1 673 . 1 1 62 62 ARG HD3 H 1 3.118 0.030 . 1 . . . . 62 ARG HD3 . 11353 1 674 . 1 1 62 62 ARG HG2 H 1 1.530 0.030 . 1 . . . . 62 ARG HG2 . 11353 1 675 . 1 1 62 62 ARG HG3 H 1 1.530 0.030 . 1 . . . . 62 ARG HG3 . 11353 1 676 . 1 1 62 62 ARG CA C 13 56.289 0.300 . 1 . . . . 62 ARG CA . 11353 1 677 . 1 1 62 62 ARG CB C 13 30.579 0.300 . 1 . . . . 62 ARG CB . 11353 1 678 . 1 1 62 62 ARG CD C 13 43.343 0.300 . 1 . . . . 62 ARG CD . 11353 1 679 . 1 1 62 62 ARG CG C 13 26.985 0.300 . 1 . . . . 62 ARG CG . 11353 1 680 . 1 1 63 63 HIS HA H 1 4.595 0.030 . 1 . . . . 63 HIS HA . 11353 1 681 . 1 1 63 63 HIS HB2 H 1 3.088 0.030 . 2 . . . . 63 HIS HB2 . 11353 1 682 . 1 1 63 63 HIS HB3 H 1 3.020 0.030 . 2 . . . . 63 HIS HB3 . 11353 1 683 . 1 1 63 63 HIS HD2 H 1 6.983 0.030 . 1 . . . . 63 HIS HD2 . 11353 1 684 . 1 1 63 63 HIS HE1 H 1 7.809 0.030 . 1 . . . . 63 HIS HE1 . 11353 1 685 . 1 1 63 63 HIS C C 13 175.307 0.300 . 1 . . . . 63 HIS C . 11353 1 686 . 1 1 63 63 HIS CA C 13 56.408 0.300 . 1 . . . . 63 HIS CA . 11353 1 687 . 1 1 63 63 HIS CB C 13 31.046 0.300 . 1 . . . . 63 HIS CB . 11353 1 688 . 1 1 63 63 HIS CD2 C 13 119.894 0.300 . 1 . . . . 63 HIS CD2 . 11353 1 689 . 1 1 63 63 HIS CE1 C 13 138.436 0.300 . 1 . . . . 63 HIS CE1 . 11353 1 690 . 1 1 64 64 LYS H H 1 8.237 0.030 . 1 . . . . 64 LYS H . 11353 1 691 . 1 1 64 64 LYS HA H 1 4.308 0.030 . 1 . . . . 64 LYS HA . 11353 1 692 . 1 1 64 64 LYS HB2 H 1 1.810 0.030 . 2 . . . . 64 LYS HB2 . 11353 1 693 . 1 1 64 64 LYS HB3 H 1 1.710 0.030 . 2 . . . . 64 LYS HB3 . 11353 1 694 . 1 1 64 64 LYS HD2 H 1 1.647 0.030 . 1 . . . . 64 LYS HD2 . 11353 1 695 . 1 1 64 64 LYS HD3 H 1 1.647 0.030 . 1 . . . . 64 LYS HD3 . 11353 1 696 . 1 1 64 64 LYS HE2 H 1 2.950 0.030 . 1 . . . . 64 LYS HE2 . 11353 1 697 . 1 1 64 64 LYS HE3 H 1 2.950 0.030 . 1 . . . . 64 LYS HE3 . 11353 1 698 . 1 1 64 64 LYS HG2 H 1 1.346 0.030 . 1 . . . . 64 LYS HG2 . 11353 1 699 . 1 1 64 64 LYS HG3 H 1 1.346 0.030 . 1 . . . . 64 LYS HG3 . 11353 1 700 . 1 1 64 64 LYS C C 13 176.158 0.300 . 1 . . . . 64 LYS C . 11353 1 701 . 1 1 64 64 LYS CA C 13 56.363 0.300 . 1 . . . . 64 LYS CA . 11353 1 702 . 1 1 64 64 LYS CB C 13 33.164 0.300 . 1 . . . . 64 LYS CB . 11353 1 703 . 1 1 64 64 LYS CD C 13 28.974 0.300 . 1 . . . . 64 LYS CD . 11353 1 704 . 1 1 64 64 LYS CE C 13 42.099 0.300 . 1 . . . . 64 LYS CE . 11353 1 705 . 1 1 64 64 LYS CG C 13 24.621 0.300 . 1 . . . . 64 LYS CG . 11353 1 706 . 1 1 64 64 LYS N N 15 123.187 0.300 . 1 . . . . 64 LYS N . 11353 1 707 . 1 1 65 65 SER H H 1 8.363 0.030 . 1 . . . . 65 SER H . 11353 1 708 . 1 1 65 65 SER C C 13 179.001 0.300 . 1 . . . . 65 SER C . 11353 1 709 . 1 1 65 65 SER N N 15 117.257 0.300 . 1 . . . . 65 SER N . 11353 1 710 . 1 1 66 66 GLY H H 1 8.239 0.030 . 1 . . . . 66 GLY H . 11353 1 711 . 1 1 66 66 GLY HA2 H 1 4.091 0.030 . 1 . . . . 66 GLY HA2 . 11353 1 712 . 1 1 66 66 GLY HA3 H 1 4.091 0.030 . 1 . . . . 66 GLY HA3 . 11353 1 713 . 1 1 66 66 GLY CA C 13 44.629 0.300 . 1 . . . . 66 GLY CA . 11353 1 714 . 1 1 66 66 GLY N N 15 110.602 0.300 . 1 . . . . 66 GLY N . 11353 1 715 . 1 1 67 67 PRO HA H 1 4.440 0.030 . 1 . . . . 67 PRO HA . 11353 1 716 . 1 1 67 67 PRO HB2 H 1 2.244 0.030 . 2 . . . . 67 PRO HB2 . 11353 1 717 . 1 1 67 67 PRO HB3 H 1 1.962 0.030 . 2 . . . . 67 PRO HB3 . 11353 1 718 . 1 1 67 67 PRO HD2 H 1 3.599 0.030 . 2 . . . . 67 PRO HD2 . 11353 1 719 . 1 1 67 67 PRO HD3 H 1 3.540 0.030 . 2 . . . . 67 PRO HD3 . 11353 1 720 . 1 1 67 67 PRO HG2 H 1 1.972 0.030 . 1 . . . . 67 PRO HG2 . 11353 1 721 . 1 1 67 67 PRO HG3 H 1 1.972 0.030 . 1 . . . . 67 PRO HG3 . 11353 1 722 . 1 1 67 67 PRO C C 13 177.382 0.300 . 1 . . . . 67 PRO C . 11353 1 723 . 1 1 67 67 PRO CA C 13 63.310 0.300 . 1 . . . . 67 PRO CA . 11353 1 724 . 1 1 67 67 PRO CB C 13 32.130 0.300 . 1 . . . . 67 PRO CB . 11353 1 725 . 1 1 67 67 PRO CD C 13 49.772 0.300 . 1 . . . . 67 PRO CD . 11353 1 726 . 1 1 67 67 PRO CG C 13 27.107 0.300 . 1 . . . . 67 PRO CG . 11353 1 727 . 1 1 68 68 SER H H 1 8.495 0.030 . 1 . . . . 68 SER H . 11353 1 728 . 1 1 68 68 SER N N 15 116.187 0.300 . 1 . . . . 68 SER N . 11353 1 stop_ save_