data_11323 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11323 _Entry.Title ; Solution structure of the MYND domain of the human zinc finger MYND domain-containing protein 10 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-10 _Entry.Accession_date 2010-08-10 _Entry.Last_release_date 2011-08-19 _Entry.Original_release_date 2011-08-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Miyamoto . . . 11323 2 T. Kigawa . . . 11323 3 T. Tomizawa . . . 11323 4 N. Tochio . . . 11323 5 A. Sasagawa . . . 11323 6 S. Koshiba . . . 11323 7 M. Inoue . . . 11323 8 S. Yokoyama . . . 11323 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)' . 11323 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11323 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 262 11323 '15N chemical shifts' 63 11323 '1H chemical shifts' 395 11323 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-19 2010-08-10 original author . 11323 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D8Q 'BMRB Entry Tracking System' 11323 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11323 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the MYND domain of the human zinc finger MYND domain-containing protein 10 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Miyamoto . . . 11323 1 2 T. Kigawa . . . 11323 1 3 T. Tomizawa . . . 11323 1 4 N. Tochio . . . 11323 1 5 A. Sasagawa . . . 11323 1 6 S. Koshiba . . . 11323 1 7 M. Inoue . . . 11323 1 8 S. Yokoyama . . . 11323 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11323 _Assembly.ID 1 _Assembly.Name 'Zinc finger MYND domain containing protein 10' _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 zf-MYND 1 $entity_1 A . yes native no no . . . 11323 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11323 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11323 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 zf-MYND 1 CYS 18 18 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 11323 1 2 coordination single . 1 zf-MYND 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11323 1 3 coordination single . 1 zf-MYND 1 CYS 38 38 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 38 CYS SG . . . . ZN 11323 1 4 coordination single . 1 zf-MYND 1 CYS 42 42 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 42 CYS SG . . . . ZN 11323 1 5 coordination single . 1 zf-MYND 1 CYS 29 29 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 29 CYS SG . . . . ZN 11323 1 6 coordination single . 1 zf-MYND 1 CYS 32 32 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 32 CYS SG . . . . ZN 11323 1 7 coordination single . 1 zf-MYND 1 HIS 50 50 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 50 HIS NE2 . . . . ZN 11323 1 8 coordination single . 1 zf-MYND 1 CYS 54 54 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 54 CYS SG . . . . ZN 11323 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 HIS 50 50 HE2 . 50 HIS HE2 11323 1 . . 1 1 CYS 54 54 HG . 54 CYS HG 11323 1 . . 1 1 CYS 29 29 HG . 29 CYS HG 11323 1 . . 1 1 CYS 32 32 HG . 32 CYS HG 11323 1 . . 1 1 CYS 38 38 HG . 38 CYS HG 11323 1 . . 1 1 CYS 42 42 HG . 42 CYS HG 11323 1 . . 1 1 CYS 18 18 HG . 18 CYS HG 11323 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11323 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 2d8q . . . . . . 11323 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11323 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name zf-MYND _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 ; GSSGSSGLEAVAPERPRCAY CSAEASKRCSRCQNEWYCCR ECQVKHWEKHGKTCVLAAQG DRAKSGPSSG ; _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 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 2D8Q . "Solution Structure Of The Mynd Domain Of The Human Zinc Finger Mynd Domain-Containing Protein 10" . . . . . 100.00 70 100.00 100.00 9.24e-41 . . . . 11323 1 2 no DBJ BAD97063 . "zinc finger, MYND domain-containing 10 variant [Homo sapiens]" . . . . . 81.43 440 100.00 100.00 9.71e-32 . . . . 11323 1 3 no DBJ BAG53316 . "unnamed protein product [Homo sapiens]" . . . . . 81.43 440 100.00 100.00 9.15e-32 . . . . 11323 1 4 no DBJ BAG73936 . "zinc finger, MYND-type containing protein 10 [synthetic construct]" . . . . . 81.43 440 98.25 98.25 1.82e-30 . . . . 11323 1 5 no DBJ BAK63946 . "zinc finger MYND domain-containing protein 10 [Pan troglodytes]" . . . . . 81.43 440 100.00 100.00 9.62e-32 . . . . 11323 1 6 no EMBL CAD38688 . "hypothetical protein [Homo sapiens]" . . . . . 81.43 440 100.00 100.00 9.81e-32 . . . . 11323 1 7 no EMBL CAL37695 . "hypothetical protein [synthetic construct]" . . . . . 81.43 440 100.00 100.00 9.81e-32 . . . . 11323 1 8 no EMBL CAL38065 . "hypothetical protein [synthetic construct]" . . . . . 81.43 440 98.25 98.25 1.82e-30 . . . . 11323 1 9 no GB AAC24726 . "BLu protein [Homo sapiens]" . . . . . 81.43 440 100.00 100.00 1.06e-31 . . . . 11323 1 10 no GB AAC24728 . "BLu protein testis isoform [Homo sapiens]" . . . . . 81.43 435 100.00 100.00 1.47e-31 . . . . 11323 1 11 no GB AAH33732 . "Zinc finger, MYND-type containing 10 [Homo sapiens]" . . . . . 81.43 440 100.00 100.00 9.15e-32 . . . . 11323 1 12 no GB AIC56440 . "ZMYND10, partial [synthetic construct]" . . . . . 81.43 440 100.00 100.00 8.97e-32 . . . . 11323 1 13 no GB EAW65104 . "zinc finger, MYND-type containing 10, isoform CRA_b [Homo sapiens]" . . . . . 81.43 435 100.00 100.00 1.47e-31 . . . . 11323 1 14 no REF NP_001233432 . "zinc finger MYND domain-containing protein 10 [Pan troglodytes]" . . . . . 81.43 440 100.00 100.00 9.62e-32 . . . . 11323 1 15 no REF NP_001295308 . "zinc finger MYND domain-containing protein 10 isoform 2 [Homo sapiens]" . . . . . 81.43 435 100.00 100.00 1.47e-31 . . . . 11323 1 16 no REF NP_056980 . "zinc finger MYND domain-containing protein 10 isoform 1 [Homo sapiens]" . . . . . 81.43 440 100.00 100.00 9.15e-32 . . . . 11323 1 17 no REF XP_001090964 . "PREDICTED: zinc finger MYND domain-containing protein 10 [Macaca mulatta]" . . . . . 81.43 515 100.00 100.00 3.14e-31 . . . . 11323 1 18 no REF XP_003257157 . "PREDICTED: zinc finger MYND domain-containing protein 10 isoform X1 [Nomascus leucogenys]" . . . . . 81.43 440 98.25 100.00 3.22e-31 . . . . 11323 1 19 no SP O75800 . "RecName: Full=Zinc finger MYND domain-containing protein 10; AltName: Full=Protein BLu" . . . . . 81.43 440 100.00 100.00 9.15e-32 . . . . 11323 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID zf-MYND . 11323 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 . 11323 1 2 . SER . 11323 1 3 . SER . 11323 1 4 . GLY . 11323 1 5 . SER . 11323 1 6 . SER . 11323 1 7 . GLY . 11323 1 8 . LEU . 11323 1 9 . GLU . 11323 1 10 . ALA . 11323 1 11 . VAL . 11323 1 12 . ALA . 11323 1 13 . PRO . 11323 1 14 . GLU . 11323 1 15 . ARG . 11323 1 16 . PRO . 11323 1 17 . ARG . 11323 1 18 . CYS . 11323 1 19 . ALA . 11323 1 20 . TYR . 11323 1 21 . CYS . 11323 1 22 . SER . 11323 1 23 . ALA . 11323 1 24 . GLU . 11323 1 25 . ALA . 11323 1 26 . SER . 11323 1 27 . LYS . 11323 1 28 . ARG . 11323 1 29 . CYS . 11323 1 30 . SER . 11323 1 31 . ARG . 11323 1 32 . CYS . 11323 1 33 . GLN . 11323 1 34 . ASN . 11323 1 35 . GLU . 11323 1 36 . TRP . 11323 1 37 . TYR . 11323 1 38 . CYS . 11323 1 39 . CYS . 11323 1 40 . ARG . 11323 1 41 . GLU . 11323 1 42 . CYS . 11323 1 43 . GLN . 11323 1 44 . VAL . 11323 1 45 . LYS . 11323 1 46 . HIS . 11323 1 47 . TRP . 11323 1 48 . GLU . 11323 1 49 . LYS . 11323 1 50 . HIS . 11323 1 51 . GLY . 11323 1 52 . LYS . 11323 1 53 . THR . 11323 1 54 . CYS . 11323 1 55 . VAL . 11323 1 56 . LEU . 11323 1 57 . ALA . 11323 1 58 . ALA . 11323 1 59 . GLN . 11323 1 60 . GLY . 11323 1 61 . ASP . 11323 1 62 . ARG . 11323 1 63 . ALA . 11323 1 64 . LYS . 11323 1 65 . SER . 11323 1 66 . GLY . 11323 1 67 . PRO . 11323 1 68 . SER . 11323 1 69 . SER . 11323 1 70 . GLY . 11323 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 11323 1 . SER 2 2 11323 1 . SER 3 3 11323 1 . GLY 4 4 11323 1 . SER 5 5 11323 1 . SER 6 6 11323 1 . GLY 7 7 11323 1 . LEU 8 8 11323 1 . GLU 9 9 11323 1 . ALA 10 10 11323 1 . VAL 11 11 11323 1 . ALA 12 12 11323 1 . PRO 13 13 11323 1 . GLU 14 14 11323 1 . ARG 15 15 11323 1 . PRO 16 16 11323 1 . ARG 17 17 11323 1 . CYS 18 18 11323 1 . ALA 19 19 11323 1 . TYR 20 20 11323 1 . CYS 21 21 11323 1 . SER 22 22 11323 1 . ALA 23 23 11323 1 . GLU 24 24 11323 1 . ALA 25 25 11323 1 . SER 26 26 11323 1 . LYS 27 27 11323 1 . ARG 28 28 11323 1 . CYS 29 29 11323 1 . SER 30 30 11323 1 . ARG 31 31 11323 1 . CYS 32 32 11323 1 . GLN 33 33 11323 1 . ASN 34 34 11323 1 . GLU 35 35 11323 1 . TRP 36 36 11323 1 . TYR 37 37 11323 1 . CYS 38 38 11323 1 . CYS 39 39 11323 1 . ARG 40 40 11323 1 . GLU 41 41 11323 1 . CYS 42 42 11323 1 . GLN 43 43 11323 1 . VAL 44 44 11323 1 . LYS 45 45 11323 1 . HIS 46 46 11323 1 . TRP 47 47 11323 1 . GLU 48 48 11323 1 . LYS 49 49 11323 1 . HIS 50 50 11323 1 . GLY 51 51 11323 1 . LYS 52 52 11323 1 . THR 53 53 11323 1 . CYS 54 54 11323 1 . VAL 55 55 11323 1 . LEU 56 56 11323 1 . ALA 57 57 11323 1 . ALA 58 58 11323 1 . GLN 59 59 11323 1 . GLY 60 60 11323 1 . ASP 61 61 11323 1 . ARG 62 62 11323 1 . ALA 63 63 11323 1 . LYS 64 64 11323 1 . SER 65 65 11323 1 . GLY 66 66 11323 1 . PRO 67 67 11323 1 . SER 68 68 11323 1 . SER 69 69 11323 1 . GLY 70 70 11323 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11323 _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 . 11323 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 11323 _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 . . . . . . . . . . . . . . . . . . . . . 11323 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 11323 _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 . . P040816-10 . . . . . . 11323 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 11323 _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 11323 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11323 ZN [Zn++] SMILES CACTVS 3.341 11323 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11323 ZN [Zn+2] SMILES ACDLabs 10.04 11323 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11323 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11323 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 11323 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11323 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 . 11323 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11323 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.3mM zf-MYND {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.1mM {ZNCl2;} 90% H2O, 10%D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10%D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 zf-MYND '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.3 . . mM . . . . 11323 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11323 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11323 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11323 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11323 1 6 ZnCl2 'natural abundance' . . . . . salt 0.1 . . mM . . . . 11323 1 7 H2O . . . . . . solvent 90 . . % . . . . 11323 1 8 D2O . . . . . . solvent 10 . . % . . . . 11323 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 11323 _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 11323 1 pH 7.0 0.05 pH 11323 1 pressure 1 0.001 atm 11323 1 temperature 298 0.1 K 11323 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11323 _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 . . 11323 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11323 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11323 _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.' . . 11323 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11323 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11323 _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.' . . 11323 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11323 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11323 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9321 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11323 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11323 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11323 _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.' . . 11323 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11323 5 'structure solution' 11323 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 11323 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11323 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11323 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 11323 _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 . . . . . . . . . . . . . . . . 11323 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11323 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 11323 _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 . . . . . . . . . 11323 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11323 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11323 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 11323 _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 11323 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11323 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 . . 11323 1 2 $NMRPipe . . 11323 1 3 $NMRView . . 11323 1 4 $Kujira . . 11323 1 5 $CYANA . . 11323 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.494 0.030 . 1 . . . . 6 SER HA . 11323 1 2 . 1 1 6 6 SER HB2 H 1 3.912 0.030 . 1 . . . . 6 SER HB2 . 11323 1 3 . 1 1 6 6 SER HB3 H 1 3.912 0.030 . 1 . . . . 6 SER HB3 . 11323 1 4 . 1 1 6 6 SER C C 13 175.085 0.300 . 1 . . . . 6 SER C . 11323 1 5 . 1 1 6 6 SER CA C 13 58.934 0.300 . 1 . . . . 6 SER CA . 11323 1 6 . 1 1 6 6 SER CB C 13 63.889 0.300 . 1 . . . . 6 SER CB . 11323 1 7 . 1 1 7 7 GLY H H 1 8.453 0.030 . 1 . . . . 7 GLY H . 11323 1 8 . 1 1 7 7 GLY HA2 H 1 3.985 0.030 . 1 . . . . 7 GLY HA2 . 11323 1 9 . 1 1 7 7 GLY HA3 H 1 3.985 0.030 . 1 . . . . 7 GLY HA3 . 11323 1 10 . 1 1 7 7 GLY C C 13 174.285 0.300 . 1 . . . . 7 GLY C . 11323 1 11 . 1 1 7 7 GLY CA C 13 45.445 0.300 . 1 . . . . 7 GLY CA . 11323 1 12 . 1 1 7 7 GLY N N 15 110.820 0.300 . 1 . . . . 7 GLY N . 11323 1 13 . 1 1 8 8 LEU H H 1 8.101 0.030 . 1 . . . . 8 LEU H . 11323 1 14 . 1 1 8 8 LEU HA H 1 4.352 0.030 . 1 . . . . 8 LEU HA . 11323 1 15 . 1 1 8 8 LEU HB2 H 1 1.605 0.030 . 1 . . . . 8 LEU HB2 . 11323 1 16 . 1 1 8 8 LEU HB3 H 1 1.605 0.030 . 1 . . . . 8 LEU HB3 . 11323 1 17 . 1 1 8 8 LEU HD11 H 1 0.928 0.030 . 1 . . . . 8 LEU HD1 . 11323 1 18 . 1 1 8 8 LEU HD12 H 1 0.928 0.030 . 1 . . . . 8 LEU HD1 . 11323 1 19 . 1 1 8 8 LEU HD13 H 1 0.928 0.030 . 1 . . . . 8 LEU HD1 . 11323 1 20 . 1 1 8 8 LEU HD21 H 1 0.862 0.030 . 1 . . . . 8 LEU HD2 . 11323 1 21 . 1 1 8 8 LEU HD22 H 1 0.862 0.030 . 1 . . . . 8 LEU HD2 . 11323 1 22 . 1 1 8 8 LEU HD23 H 1 0.862 0.030 . 1 . . . . 8 LEU HD2 . 11323 1 23 . 1 1 8 8 LEU HG H 1 1.587 0.030 . 1 . . . . 8 LEU HG . 11323 1 24 . 1 1 8 8 LEU C C 13 177.569 0.300 . 1 . . . . 8 LEU C . 11323 1 25 . 1 1 8 8 LEU CA C 13 55.159 0.300 . 1 . . . . 8 LEU CA . 11323 1 26 . 1 1 8 8 LEU CB C 13 42.425 0.300 . 1 . . . . 8 LEU CB . 11323 1 27 . 1 1 8 8 LEU CD1 C 13 24.957 0.300 . 2 . . . . 8 LEU CD1 . 11323 1 28 . 1 1 8 8 LEU CD2 C 13 23.304 0.300 . 2 . . . . 8 LEU CD2 . 11323 1 29 . 1 1 8 8 LEU CG C 13 27.081 0.300 . 1 . . . . 8 LEU CG . 11323 1 30 . 1 1 8 8 LEU N N 15 121.539 0.300 . 1 . . . . 8 LEU N . 11323 1 31 . 1 1 9 9 GLU H H 1 8.444 0.030 . 1 . . . . 9 GLU H . 11323 1 32 . 1 1 9 9 GLU HA H 1 4.240 0.030 . 1 . . . . 9 GLU HA . 11323 1 33 . 1 1 9 9 GLU HB2 H 1 2.036 0.030 . 2 . . . . 9 GLU HB2 . 11323 1 34 . 1 1 9 9 GLU HB3 H 1 1.932 0.030 . 2 . . . . 9 GLU HB3 . 11323 1 35 . 1 1 9 9 GLU HG2 H 1 2.271 0.030 . 1 . . . . 9 GLU HG2 . 11323 1 36 . 1 1 9 9 GLU HG3 H 1 2.271 0.030 . 1 . . . . 9 GLU HG3 . 11323 1 37 . 1 1 9 9 GLU C C 13 176.188 0.300 . 1 . . . . 9 GLU C . 11323 1 38 . 1 1 9 9 GLU CA C 13 56.685 0.300 . 1 . . . . 9 GLU CA . 11323 1 39 . 1 1 9 9 GLU CB C 13 30.145 0.300 . 1 . . . . 9 GLU CB . 11323 1 40 . 1 1 9 9 GLU CG C 13 36.279 0.300 . 1 . . . . 9 GLU CG . 11323 1 41 . 1 1 9 9 GLU N N 15 121.425 0.300 . 1 . . . . 9 GLU N . 11323 1 42 . 1 1 10 10 ALA H H 1 8.233 0.030 . 1 . . . . 10 ALA H . 11323 1 43 . 1 1 10 10 ALA HA H 1 4.326 0.030 . 1 . . . . 10 ALA HA . 11323 1 44 . 1 1 10 10 ALA HB1 H 1 1.363 0.030 . 1 . . . . 10 ALA HB . 11323 1 45 . 1 1 10 10 ALA HB2 H 1 1.363 0.030 . 1 . . . . 10 ALA HB . 11323 1 46 . 1 1 10 10 ALA HB3 H 1 1.363 0.030 . 1 . . . . 10 ALA HB . 11323 1 47 . 1 1 10 10 ALA C C 13 177.472 0.300 . 1 . . . . 10 ALA C . 11323 1 48 . 1 1 10 10 ALA CA C 13 52.404 0.300 . 1 . . . . 10 ALA CA . 11323 1 49 . 1 1 10 10 ALA CB C 13 19.189 0.300 . 1 . . . . 10 ALA CB . 11323 1 50 . 1 1 10 10 ALA N N 15 125.090 0.300 . 1 . . . . 10 ALA N . 11323 1 51 . 1 1 11 11 VAL H H 1 8.034 0.030 . 1 . . . . 11 VAL H . 11323 1 52 . 1 1 11 11 VAL HA H 1 4.080 0.030 . 1 . . . . 11 VAL HA . 11323 1 53 . 1 1 11 11 VAL HB H 1 2.039 0.030 . 1 . . . . 11 VAL HB . 11323 1 54 . 1 1 11 11 VAL HG11 H 1 0.918 0.030 . 1 . . . . 11 VAL HG1 . 11323 1 55 . 1 1 11 11 VAL HG12 H 1 0.918 0.030 . 1 . . . . 11 VAL HG1 . 11323 1 56 . 1 1 11 11 VAL HG13 H 1 0.918 0.030 . 1 . . . . 11 VAL HG1 . 11323 1 57 . 1 1 11 11 VAL HG21 H 1 0.925 0.030 . 1 . . . . 11 VAL HG2 . 11323 1 58 . 1 1 11 11 VAL HG22 H 1 0.925 0.030 . 1 . . . . 11 VAL HG2 . 11323 1 59 . 1 1 11 11 VAL HG23 H 1 0.925 0.030 . 1 . . . . 11 VAL HG2 . 11323 1 60 . 1 1 11 11 VAL C C 13 175.655 0.300 . 1 . . . . 11 VAL C . 11323 1 61 . 1 1 11 11 VAL CA C 13 62.004 0.300 . 1 . . . . 11 VAL CA . 11323 1 62 . 1 1 11 11 VAL CB C 13 32.981 0.300 . 1 . . . . 11 VAL CB . 11323 1 63 . 1 1 11 11 VAL CG1 C 13 21.156 0.300 . 2 . . . . 11 VAL CG1 . 11323 1 64 . 1 1 11 11 VAL CG2 C 13 20.476 0.300 . 2 . . . . 11 VAL CG2 . 11323 1 65 . 1 1 11 11 VAL N N 15 119.627 0.300 . 1 . . . . 11 VAL N . 11323 1 66 . 1 1 12 12 ALA H H 1 8.391 0.030 . 1 . . . . 12 ALA H . 11323 1 67 . 1 1 12 12 ALA HA H 1 4.593 0.030 . 1 . . . . 12 ALA HA . 11323 1 68 . 1 1 12 12 ALA HB1 H 1 1.343 0.030 . 1 . . . . 12 ALA HB . 11323 1 69 . 1 1 12 12 ALA HB2 H 1 1.343 0.030 . 1 . . . . 12 ALA HB . 11323 1 70 . 1 1 12 12 ALA HB3 H 1 1.343 0.030 . 1 . . . . 12 ALA HB . 11323 1 71 . 1 1 12 12 ALA C C 13 175.497 0.300 . 1 . . . . 12 ALA C . 11323 1 72 . 1 1 12 12 ALA CA C 13 50.367 0.300 . 1 . . . . 12 ALA CA . 11323 1 73 . 1 1 12 12 ALA CB C 13 18.294 0.300 . 1 . . . . 12 ALA CB . 11323 1 74 . 1 1 12 12 ALA N N 15 129.591 0.300 . 1 . . . . 12 ALA N . 11323 1 75 . 1 1 13 13 PRO HA H 1 4.374 0.030 . 1 . . . . 13 PRO HA . 11323 1 76 . 1 1 13 13 PRO HB2 H 1 2.244 0.030 . 2 . . . . 13 PRO HB2 . 11323 1 77 . 1 1 13 13 PRO HB3 H 1 1.831 0.030 . 2 . . . . 13 PRO HB3 . 11323 1 78 . 1 1 13 13 PRO HD2 H 1 3.632 0.030 . 2 . . . . 13 PRO HD2 . 11323 1 79 . 1 1 13 13 PRO HD3 H 1 3.788 0.030 . 2 . . . . 13 PRO HD3 . 11323 1 80 . 1 1 13 13 PRO HG2 H 1 1.972 0.030 . 1 . . . . 13 PRO HG2 . 11323 1 81 . 1 1 13 13 PRO HG3 H 1 1.972 0.030 . 1 . . . . 13 PRO HG3 . 11323 1 82 . 1 1 13 13 PRO C C 13 176.806 0.300 . 1 . . . . 13 PRO C . 11323 1 83 . 1 1 13 13 PRO CA C 13 63.015 0.300 . 1 . . . . 13 PRO CA . 11323 1 84 . 1 1 13 13 PRO CB C 13 32.084 0.300 . 1 . . . . 13 PRO CB . 11323 1 85 . 1 1 13 13 PRO CD C 13 50.508 0.300 . 1 . . . . 13 PRO CD . 11323 1 86 . 1 1 13 13 PRO CG C 13 27.314 0.300 . 1 . . . . 13 PRO CG . 11323 1 87 . 1 1 14 14 GLU H H 1 8.395 0.030 . 1 . . . . 14 GLU H . 11323 1 88 . 1 1 14 14 GLU HA H 1 4.158 0.030 . 1 . . . . 14 GLU HA . 11323 1 89 . 1 1 14 14 GLU HB2 H 1 1.860 0.030 . 2 . . . . 14 GLU HB2 . 11323 1 90 . 1 1 14 14 GLU HB3 H 1 1.909 0.030 . 2 . . . . 14 GLU HB3 . 11323 1 91 . 1 1 14 14 GLU HG2 H 1 2.177 0.030 . 2 . . . . 14 GLU HG2 . 11323 1 92 . 1 1 14 14 GLU HG3 H 1 2.236 0.030 . 2 . . . . 14 GLU HG3 . 11323 1 93 . 1 1 14 14 GLU C C 13 176.333 0.300 . 1 . . . . 14 GLU C . 11323 1 94 . 1 1 14 14 GLU CA C 13 56.452 0.300 . 1 . . . . 14 GLU CA . 11323 1 95 . 1 1 14 14 GLU CB C 13 30.386 0.300 . 1 . . . . 14 GLU CB . 11323 1 96 . 1 1 14 14 GLU CG C 13 36.218 0.300 . 1 . . . . 14 GLU CG . 11323 1 97 . 1 1 14 14 GLU N N 15 121.004 0.300 . 1 . . . . 14 GLU N . 11323 1 98 . 1 1 15 15 ARG H H 1 8.255 0.030 . 1 . . . . 15 ARG H . 11323 1 99 . 1 1 15 15 ARG HA H 1 4.372 0.030 . 1 . . . . 15 ARG HA . 11323 1 100 . 1 1 15 15 ARG HB2 H 1 1.546 0.030 . 2 . . . . 15 ARG HB2 . 11323 1 101 . 1 1 15 15 ARG HB3 H 1 1.697 0.030 . 2 . . . . 15 ARG HB3 . 11323 1 102 . 1 1 15 15 ARG HD2 H 1 3.094 0.030 . 1 . . . . 15 ARG HD2 . 11323 1 103 . 1 1 15 15 ARG HD3 H 1 3.094 0.030 . 1 . . . . 15 ARG HD3 . 11323 1 104 . 1 1 15 15 ARG HG2 H 1 1.534 0.030 . 2 . . . . 15 ARG HG2 . 11323 1 105 . 1 1 15 15 ARG HG3 H 1 1.590 0.030 . 2 . . . . 15 ARG HG3 . 11323 1 106 . 1 1 15 15 ARG C C 13 173.704 0.300 . 1 . . . . 15 ARG C . 11323 1 107 . 1 1 15 15 ARG CA C 13 53.743 0.300 . 1 . . . . 15 ARG CA . 11323 1 108 . 1 1 15 15 ARG CB C 13 29.653 0.300 . 1 . . . . 15 ARG CB . 11323 1 109 . 1 1 15 15 ARG CD C 13 43.084 0.300 . 1 . . . . 15 ARG CD . 11323 1 110 . 1 1 15 15 ARG CG C 13 26.847 0.300 . 1 . . . . 15 ARG CG . 11323 1 111 . 1 1 15 15 ARG N N 15 123.248 0.300 . 1 . . . . 15 ARG N . 11323 1 112 . 1 1 16 16 PRO HA H 1 3.878 0.030 . 1 . . . . 16 PRO HA . 11323 1 113 . 1 1 16 16 PRO HB2 H 1 0.644 0.030 . 2 . . . . 16 PRO HB2 . 11323 1 114 . 1 1 16 16 PRO HB3 H 1 0.795 0.030 . 2 . . . . 16 PRO HB3 . 11323 1 115 . 1 1 16 16 PRO HD2 H 1 3.089 0.030 . 2 . . . . 16 PRO HD2 . 11323 1 116 . 1 1 16 16 PRO HD3 H 1 3.284 0.030 . 2 . . . . 16 PRO HD3 . 11323 1 117 . 1 1 16 16 PRO HG2 H 1 0.555 0.030 . 2 . . . . 16 PRO HG2 . 11323 1 118 . 1 1 16 16 PRO HG3 H 1 0.636 0.030 . 2 . . . . 16 PRO HG3 . 11323 1 119 . 1 1 16 16 PRO C C 13 175.328 0.300 . 1 . . . . 16 PRO C . 11323 1 120 . 1 1 16 16 PRO CA C 13 62.768 0.300 . 1 . . . . 16 PRO CA . 11323 1 121 . 1 1 16 16 PRO CB C 13 31.093 0.300 . 1 . . . . 16 PRO CB . 11323 1 122 . 1 1 16 16 PRO CD C 13 50.179 0.300 . 1 . . . . 16 PRO CD . 11323 1 123 . 1 1 16 16 PRO CG C 13 26.375 0.300 . 1 . . . . 16 PRO CG . 11323 1 124 . 1 1 17 17 ARG H H 1 8.107 0.030 . 1 . . . . 17 ARG H . 11323 1 125 . 1 1 17 17 ARG HA H 1 4.505 0.030 . 1 . . . . 17 ARG HA . 11323 1 126 . 1 1 17 17 ARG HB2 H 1 1.449 0.030 . 2 . . . . 17 ARG HB2 . 11323 1 127 . 1 1 17 17 ARG HB3 H 1 1.520 0.030 . 2 . . . . 17 ARG HB3 . 11323 1 128 . 1 1 17 17 ARG HD2 H 1 3.020 0.030 . 2 . . . . 17 ARG HD2 . 11323 1 129 . 1 1 17 17 ARG HD3 H 1 3.088 0.030 . 2 . . . . 17 ARG HD3 . 11323 1 130 . 1 1 17 17 ARG HG2 H 1 1.586 0.030 . 2 . . . . 17 ARG HG2 . 11323 1 131 . 1 1 17 17 ARG HG3 H 1 1.445 0.030 . 2 . . . . 17 ARG HG3 . 11323 1 132 . 1 1 17 17 ARG C C 13 174.758 0.300 . 1 . . . . 17 ARG C . 11323 1 133 . 1 1 17 17 ARG CA C 13 53.020 0.300 . 1 . . . . 17 ARG CA . 11323 1 134 . 1 1 17 17 ARG CB C 13 32.561 0.300 . 1 . . . . 17 ARG CB . 11323 1 135 . 1 1 17 17 ARG CD C 13 42.694 0.300 . 1 . . . . 17 ARG CD . 11323 1 136 . 1 1 17 17 ARG CG C 13 26.902 0.300 . 1 . . . . 17 ARG CG . 11323 1 137 . 1 1 17 17 ARG N N 15 118.936 0.300 . 1 . . . . 17 ARG N . 11323 1 138 . 1 1 18 18 CYS H H 1 9.487 0.030 . 1 . . . . 18 CYS H . 11323 1 139 . 1 1 18 18 CYS HA H 1 3.843 0.030 . 1 . . . . 18 CYS HA . 11323 1 140 . 1 1 18 18 CYS HB2 H 1 3.393 0.030 . 2 . . . . 18 CYS HB2 . 11323 1 141 . 1 1 18 18 CYS HB3 H 1 2.735 0.030 . 2 . . . . 18 CYS HB3 . 11323 1 142 . 1 1 18 18 CYS C C 13 177.739 0.300 . 1 . . . . 18 CYS C . 11323 1 143 . 1 1 18 18 CYS CA C 13 59.150 0.300 . 1 . . . . 18 CYS CA . 11323 1 144 . 1 1 18 18 CYS CB C 13 30.457 0.300 . 1 . . . . 18 CYS CB . 11323 1 145 . 1 1 18 18 CYS N N 15 122.584 0.300 . 1 . . . . 18 CYS N . 11323 1 146 . 1 1 19 19 ALA H H 1 8.934 0.030 . 1 . . . . 19 ALA H . 11323 1 147 . 1 1 19 19 ALA HA H 1 3.938 0.030 . 1 . . . . 19 ALA HA . 11323 1 148 . 1 1 19 19 ALA HB1 H 1 1.060 0.030 . 1 . . . . 19 ALA HB . 11323 1 149 . 1 1 19 19 ALA HB2 H 1 1.060 0.030 . 1 . . . . 19 ALA HB . 11323 1 150 . 1 1 19 19 ALA HB3 H 1 1.060 0.030 . 1 . . . . 19 ALA HB . 11323 1 151 . 1 1 19 19 ALA C C 13 177.097 0.300 . 1 . . . . 19 ALA C . 11323 1 152 . 1 1 19 19 ALA CA C 13 54.465 0.300 . 1 . . . . 19 ALA CA . 11323 1 153 . 1 1 19 19 ALA CB C 13 18.654 0.300 . 1 . . . . 19 ALA CB . 11323 1 154 . 1 1 19 19 ALA N N 15 133.706 0.300 . 1 . . . . 19 ALA N . 11323 1 155 . 1 1 20 20 TYR H H 1 8.781 0.030 . 1 . . . . 20 TYR H . 11323 1 156 . 1 1 20 20 TYR HA H 1 4.491 0.030 . 1 . . . . 20 TYR HA . 11323 1 157 . 1 1 20 20 TYR HB2 H 1 3.599 0.030 . 2 . . . . 20 TYR HB2 . 11323 1 158 . 1 1 20 20 TYR HB3 H 1 2.954 0.030 . 2 . . . . 20 TYR HB3 . 11323 1 159 . 1 1 20 20 TYR HD1 H 1 7.597 0.030 . 1 . . . . 20 TYR HD1 . 11323 1 160 . 1 1 20 20 TYR HD2 H 1 7.597 0.030 . 1 . . . . 20 TYR HD2 . 11323 1 161 . 1 1 20 20 TYR HE1 H 1 6.908 0.030 . 1 . . . . 20 TYR HE1 . 11323 1 162 . 1 1 20 20 TYR HE2 H 1 6.908 0.030 . 1 . . . . 20 TYR HE2 . 11323 1 163 . 1 1 20 20 TYR C C 13 176.685 0.300 . 1 . . . . 20 TYR C . 11323 1 164 . 1 1 20 20 TYR CA C 13 61.057 0.300 . 1 . . . . 20 TYR CA . 11323 1 165 . 1 1 20 20 TYR CB C 13 40.145 0.300 . 1 . . . . 20 TYR CB . 11323 1 166 . 1 1 20 20 TYR CD1 C 13 133.182 0.300 . 1 . . . . 20 TYR CD1 . 11323 1 167 . 1 1 20 20 TYR CD2 C 13 133.182 0.300 . 1 . . . . 20 TYR CD2 . 11323 1 168 . 1 1 20 20 TYR CE1 C 13 118.643 0.300 . 1 . . . . 20 TYR CE1 . 11323 1 169 . 1 1 20 20 TYR CE2 C 13 118.643 0.300 . 1 . . . . 20 TYR CE2 . 11323 1 170 . 1 1 20 20 TYR N N 15 117.170 0.300 . 1 . . . . 20 TYR N . 11323 1 171 . 1 1 21 21 CYS H H 1 8.238 0.030 . 1 . . . . 21 CYS H . 11323 1 172 . 1 1 21 21 CYS HA H 1 4.885 0.030 . 1 . . . . 21 CYS HA . 11323 1 173 . 1 1 21 21 CYS HB2 H 1 3.322 0.030 . 2 . . . . 21 CYS HB2 . 11323 1 174 . 1 1 21 21 CYS HB3 H 1 2.866 0.030 . 2 . . . . 21 CYS HB3 . 11323 1 175 . 1 1 21 21 CYS C C 13 177.024 0.300 . 1 . . . . 21 CYS C . 11323 1 176 . 1 1 21 21 CYS CA C 13 59.486 0.300 . 1 . . . . 21 CYS CA . 11323 1 177 . 1 1 21 21 CYS CB C 13 33.360 0.300 . 1 . . . . 21 CYS CB . 11323 1 178 . 1 1 21 21 CYS N N 15 117.678 0.300 . 1 . . . . 21 CYS N . 11323 1 179 . 1 1 22 22 SER H H 1 8.062 0.030 . 1 . . . . 22 SER H . 11323 1 180 . 1 1 22 22 SER HA H 1 4.210 0.030 . 1 . . . . 22 SER HA . 11323 1 181 . 1 1 22 22 SER HB2 H 1 4.242 0.030 . 2 . . . . 22 SER HB2 . 11323 1 182 . 1 1 22 22 SER HB3 H 1 4.051 0.030 . 2 . . . . 22 SER HB3 . 11323 1 183 . 1 1 22 22 SER C C 13 172.540 0.300 . 1 . . . . 22 SER C . 11323 1 184 . 1 1 22 22 SER CA C 13 62.075 0.300 . 1 . . . . 22 SER CA . 11323 1 185 . 1 1 22 22 SER CB C 13 62.946 0.300 . 1 . . . . 22 SER CB . 11323 1 186 . 1 1 22 22 SER N N 15 116.209 0.300 . 1 . . . . 22 SER N . 11323 1 187 . 1 1 23 23 ALA H H 1 9.000 0.030 . 1 . . . . 23 ALA H . 11323 1 188 . 1 1 23 23 ALA HA H 1 4.423 0.030 . 1 . . . . 23 ALA HA . 11323 1 189 . 1 1 23 23 ALA HB1 H 1 1.598 0.030 . 1 . . . . 23 ALA HB . 11323 1 190 . 1 1 23 23 ALA HB2 H 1 1.598 0.030 . 1 . . . . 23 ALA HB . 11323 1 191 . 1 1 23 23 ALA HB3 H 1 1.598 0.030 . 1 . . . . 23 ALA HB . 11323 1 192 . 1 1 23 23 ALA C C 13 176.951 0.300 . 1 . . . . 23 ALA C . 11323 1 193 . 1 1 23 23 ALA CA C 13 52.756 0.300 . 1 . . . . 23 ALA CA . 11323 1 194 . 1 1 23 23 ALA CB C 13 21.122 0.300 . 1 . . . . 23 ALA CB . 11323 1 195 . 1 1 23 23 ALA N N 15 126.801 0.300 . 1 . . . . 23 ALA N . 11323 1 196 . 1 1 24 24 GLU H H 1 8.586 0.030 . 1 . . . . 24 GLU H . 11323 1 197 . 1 1 24 24 GLU HA H 1 3.938 0.030 . 1 . . . . 24 GLU HA . 11323 1 198 . 1 1 24 24 GLU HB2 H 1 1.843 0.030 . 2 . . . . 24 GLU HB2 . 11323 1 199 . 1 1 24 24 GLU HB3 H 1 1.910 0.030 . 2 . . . . 24 GLU HB3 . 11323 1 200 . 1 1 24 24 GLU HG2 H 1 2.112 0.030 . 2 . . . . 24 GLU HG2 . 11323 1 201 . 1 1 24 24 GLU HG3 H 1 2.252 0.030 . 2 . . . . 24 GLU HG3 . 11323 1 202 . 1 1 24 24 GLU C C 13 176.030 0.300 . 1 . . . . 24 GLU C . 11323 1 203 . 1 1 24 24 GLU CA C 13 59.010 0.300 . 1 . . . . 24 GLU CA . 11323 1 204 . 1 1 24 24 GLU CB C 13 29.678 0.300 . 1 . . . . 24 GLU CB . 11323 1 205 . 1 1 24 24 GLU CG C 13 36.992 0.300 . 1 . . . . 24 GLU CG . 11323 1 206 . 1 1 24 24 GLU N N 15 120.208 0.300 . 1 . . . . 24 GLU N . 11323 1 207 . 1 1 25 25 ALA H H 1 8.029 0.030 . 1 . . . . 25 ALA H . 11323 1 208 . 1 1 25 25 ALA HA H 1 4.340 0.030 . 1 . . . . 25 ALA HA . 11323 1 209 . 1 1 25 25 ALA HB1 H 1 1.060 0.030 . 1 . . . . 25 ALA HB . 11323 1 210 . 1 1 25 25 ALA HB2 H 1 1.060 0.030 . 1 . . . . 25 ALA HB . 11323 1 211 . 1 1 25 25 ALA HB3 H 1 1.060 0.030 . 1 . . . . 25 ALA HB . 11323 1 212 . 1 1 25 25 ALA C C 13 176.249 0.300 . 1 . . . . 25 ALA C . 11323 1 213 . 1 1 25 25 ALA CA C 13 51.384 0.300 . 1 . . . . 25 ALA CA . 11323 1 214 . 1 1 25 25 ALA CB C 13 22.644 0.300 . 1 . . . . 25 ALA CB . 11323 1 215 . 1 1 25 25 ALA N N 15 124.975 0.300 . 1 . . . . 25 ALA N . 11323 1 216 . 1 1 26 26 SER H H 1 8.139 0.030 . 1 . . . . 26 SER H . 11323 1 217 . 1 1 26 26 SER HA H 1 4.778 0.030 . 1 . . . . 26 SER HA . 11323 1 218 . 1 1 26 26 SER HB2 H 1 4.079 0.030 . 2 . . . . 26 SER HB2 . 11323 1 219 . 1 1 26 26 SER HB3 H 1 3.867 0.030 . 2 . . . . 26 SER HB3 . 11323 1 220 . 1 1 26 26 SER C C 13 173.777 0.300 . 1 . . . . 26 SER C . 11323 1 221 . 1 1 26 26 SER CA C 13 58.340 0.300 . 1 . . . . 26 SER CA . 11323 1 222 . 1 1 26 26 SER CB C 13 65.560 0.300 . 1 . . . . 26 SER CB . 11323 1 223 . 1 1 26 26 SER N N 15 110.199 0.300 . 1 . . . . 26 SER N . 11323 1 224 . 1 1 27 27 LYS H H 1 8.421 0.030 . 1 . . . . 27 LYS H . 11323 1 225 . 1 1 27 27 LYS HA H 1 4.897 0.030 . 1 . . . . 27 LYS HA . 11323 1 226 . 1 1 27 27 LYS HB2 H 1 1.842 0.030 . 1 . . . . 27 LYS HB2 . 11323 1 227 . 1 1 27 27 LYS HB3 H 1 1.842 0.030 . 1 . . . . 27 LYS HB3 . 11323 1 228 . 1 1 27 27 LYS HD2 H 1 1.586 0.030 . 1 . . . . 27 LYS HD2 . 11323 1 229 . 1 1 27 27 LYS HD3 H 1 1.586 0.030 . 1 . . . . 27 LYS HD3 . 11323 1 230 . 1 1 27 27 LYS HE2 H 1 3.012 0.030 . 1 . . . . 27 LYS HE2 . 11323 1 231 . 1 1 27 27 LYS HE3 H 1 3.012 0.030 . 1 . . . . 27 LYS HE3 . 11323 1 232 . 1 1 27 27 LYS HG2 H 1 1.390 0.030 . 2 . . . . 27 LYS HG2 . 11323 1 233 . 1 1 27 27 LYS HG3 H 1 1.443 0.030 . 2 . . . . 27 LYS HG3 . 11323 1 234 . 1 1 27 27 LYS C C 13 174.201 0.300 . 1 . . . . 27 LYS C . 11323 1 235 . 1 1 27 27 LYS CA C 13 54.834 0.300 . 1 . . . . 27 LYS CA . 11323 1 236 . 1 1 27 27 LYS CB C 13 34.899 0.300 . 1 . . . . 27 LYS CB . 11323 1 237 . 1 1 27 27 LYS CD C 13 28.630 0.300 . 1 . . . . 27 LYS CD . 11323 1 238 . 1 1 27 27 LYS CE C 13 42.201 0.300 . 1 . . . . 27 LYS CE . 11323 1 239 . 1 1 27 27 LYS CG C 13 24.487 0.300 . 1 . . . . 27 LYS CG . 11323 1 240 . 1 1 27 27 LYS N N 15 122.344 0.300 . 1 . . . . 27 LYS N . 11323 1 241 . 1 1 28 28 ARG H H 1 8.323 0.030 . 1 . . . . 28 ARG H . 11323 1 242 . 1 1 28 28 ARG HA H 1 4.932 0.030 . 1 . . . . 28 ARG HA . 11323 1 243 . 1 1 28 28 ARG HB2 H 1 1.002 0.030 . 2 . . . . 28 ARG HB2 . 11323 1 244 . 1 1 28 28 ARG HB3 H 1 1.098 0.030 . 2 . . . . 28 ARG HB3 . 11323 1 245 . 1 1 28 28 ARG HD2 H 1 2.217 0.030 . 2 . . . . 28 ARG HD2 . 11323 1 246 . 1 1 28 28 ARG HD3 H 1 2.346 0.030 . 2 . . . . 28 ARG HD3 . 11323 1 247 . 1 1 28 28 ARG HG2 H 1 0.610 0.030 . 2 . . . . 28 ARG HG2 . 11323 1 248 . 1 1 28 28 ARG HG3 H 1 0.246 0.030 . 2 . . . . 28 ARG HG3 . 11323 1 249 . 1 1 28 28 ARG C C 13 177.412 0.300 . 1 . . . . 28 ARG C . 11323 1 250 . 1 1 28 28 ARG CA C 13 53.496 0.300 . 1 . . . . 28 ARG CA . 11323 1 251 . 1 1 28 28 ARG CB C 13 33.418 0.300 . 1 . . . . 28 ARG CB . 11323 1 252 . 1 1 28 28 ARG CD C 13 43.126 0.300 . 1 . . . . 28 ARG CD . 11323 1 253 . 1 1 28 28 ARG CG C 13 26.244 0.300 . 1 . . . . 28 ARG CG . 11323 1 254 . 1 1 28 28 ARG N N 15 120.459 0.300 . 1 . . . . 28 ARG N . 11323 1 255 . 1 1 29 29 CYS H H 1 8.211 0.030 . 1 . . . . 29 CYS H . 11323 1 256 . 1 1 29 29 CYS HA H 1 4.208 0.030 . 1 . . . . 29 CYS HA . 11323 1 257 . 1 1 29 29 CYS HB2 H 1 3.227 0.030 . 2 . . . . 29 CYS HB2 . 11323 1 258 . 1 1 29 29 CYS HB3 H 1 2.782 0.030 . 2 . . . . 29 CYS HB3 . 11323 1 259 . 1 1 29 29 CYS C C 13 177.352 0.300 . 1 . . . . 29 CYS C . 11323 1 260 . 1 1 29 29 CYS CA C 13 60.383 0.300 . 1 . . . . 29 CYS CA . 11323 1 261 . 1 1 29 29 CYS CB C 13 31.280 0.300 . 1 . . . . 29 CYS CB . 11323 1 262 . 1 1 29 29 CYS N N 15 122.822 0.300 . 1 . . . . 29 CYS N . 11323 1 263 . 1 1 30 30 SER H H 1 8.606 0.030 . 1 . . . . 30 SER H . 11323 1 264 . 1 1 30 30 SER HA H 1 4.173 0.030 . 1 . . . . 30 SER HA . 11323 1 265 . 1 1 30 30 SER HB2 H 1 3.949 0.030 . 2 . . . . 30 SER HB2 . 11323 1 266 . 1 1 30 30 SER HB3 H 1 4.028 0.030 . 2 . . . . 30 SER HB3 . 11323 1 267 . 1 1 30 30 SER C C 13 174.455 0.300 . 1 . . . . 30 SER C . 11323 1 268 . 1 1 30 30 SER CA C 13 60.772 0.300 . 1 . . . . 30 SER CA . 11323 1 269 . 1 1 30 30 SER CB C 13 62.987 0.300 . 1 . . . . 30 SER CB . 11323 1 270 . 1 1 30 30 SER N N 15 126.170 0.300 . 1 . . . . 30 SER N . 11323 1 271 . 1 1 31 31 ARG H H 1 8.795 0.030 . 1 . . . . 31 ARG H . 11323 1 272 . 1 1 31 31 ARG HA H 1 4.293 0.030 . 1 . . . . 31 ARG HA . 11323 1 273 . 1 1 31 31 ARG HB2 H 1 1.764 0.030 . 2 . . . . 31 ARG HB2 . 11323 1 274 . 1 1 31 31 ARG HB3 H 1 1.815 0.030 . 2 . . . . 31 ARG HB3 . 11323 1 275 . 1 1 31 31 ARG HD2 H 1 3.245 0.030 . 2 . . . . 31 ARG HD2 . 11323 1 276 . 1 1 31 31 ARG HD3 H 1 3.365 0.030 . 2 . . . . 31 ARG HD3 . 11323 1 277 . 1 1 31 31 ARG HG2 H 1 1.524 0.030 . 2 . . . . 31 ARG HG2 . 11323 1 278 . 1 1 31 31 ARG HG3 H 1 1.561 0.030 . 2 . . . . 31 ARG HG3 . 11323 1 279 . 1 1 31 31 ARG C C 13 176.746 0.300 . 1 . . . . 31 ARG C . 11323 1 280 . 1 1 31 31 ARG CA C 13 58.798 0.300 . 1 . . . . 31 ARG CA . 11323 1 281 . 1 1 31 31 ARG CB C 13 32.431 0.300 . 1 . . . . 31 ARG CB . 11323 1 282 . 1 1 31 31 ARG CD C 13 43.681 0.300 . 1 . . . . 31 ARG CD . 11323 1 283 . 1 1 31 31 ARG CG C 13 27.972 0.300 . 1 . . . . 31 ARG CG . 11323 1 284 . 1 1 31 31 ARG N N 15 123.947 0.300 . 1 . . . . 31 ARG N . 11323 1 285 . 1 1 32 32 CYS H H 1 7.777 0.030 . 1 . . . . 32 CYS H . 11323 1 286 . 1 1 32 32 CYS HA H 1 5.003 0.030 . 1 . . . . 32 CYS HA . 11323 1 287 . 1 1 32 32 CYS HB2 H 1 3.689 0.030 . 2 . . . . 32 CYS HB2 . 11323 1 288 . 1 1 32 32 CYS HB3 H 1 3.263 0.030 . 2 . . . . 32 CYS HB3 . 11323 1 289 . 1 1 32 32 CYS C C 13 176.055 0.300 . 1 . . . . 32 CYS C . 11323 1 290 . 1 1 32 32 CYS CA C 13 58.446 0.300 . 1 . . . . 32 CYS CA . 11323 1 291 . 1 1 32 32 CYS CB C 13 33.689 0.300 . 1 . . . . 32 CYS CB . 11323 1 292 . 1 1 32 32 CYS N N 15 115.532 0.300 . 1 . . . . 32 CYS N . 11323 1 293 . 1 1 33 33 GLN H H 1 8.075 0.030 . 1 . . . . 33 GLN H . 11323 1 294 . 1 1 33 33 GLN HA H 1 3.902 0.030 . 1 . . . . 33 GLN HA . 11323 1 295 . 1 1 33 33 GLN HB2 H 1 2.180 0.030 . 1 . . . . 33 GLN HB2 . 11323 1 296 . 1 1 33 33 GLN HB3 H 1 2.180 0.030 . 1 . . . . 33 GLN HB3 . 11323 1 297 . 1 1 33 33 GLN HE21 H 1 6.650 0.030 . 2 . . . . 33 GLN HE21 . 11323 1 298 . 1 1 33 33 GLN HE22 H 1 7.228 0.030 . 2 . . . . 33 GLN HE22 . 11323 1 299 . 1 1 33 33 GLN HG2 H 1 2.111 0.030 . 2 . . . . 33 GLN HG2 . 11323 1 300 . 1 1 33 33 GLN HG3 H 1 2.199 0.030 . 2 . . . . 33 GLN HG3 . 11323 1 301 . 1 1 33 33 GLN C C 13 176.103 0.300 . 1 . . . . 33 GLN C . 11323 1 302 . 1 1 33 33 GLN CA C 13 57.047 0.300 . 1 . . . . 33 GLN CA . 11323 1 303 . 1 1 33 33 GLN CB C 13 25.810 0.300 . 1 . . . . 33 GLN CB . 11323 1 304 . 1 1 33 33 GLN CG C 13 33.236 0.300 . 1 . . . . 33 GLN CG . 11323 1 305 . 1 1 33 33 GLN N N 15 116.873 0.300 . 1 . . . . 33 GLN N . 11323 1 306 . 1 1 33 33 GLN NE2 N 15 111.692 0.300 . 1 . . . . 33 GLN NE2 . 11323 1 307 . 1 1 34 34 ASN H H 1 8.909 0.030 . 1 . . . . 34 ASN H . 11323 1 308 . 1 1 34 34 ASN HA H 1 5.051 0.030 . 1 . . . . 34 ASN HA . 11323 1 309 . 1 1 34 34 ASN HB2 H 1 3.071 0.030 . 2 . . . . 34 ASN HB2 . 11323 1 310 . 1 1 34 34 ASN HB3 H 1 2.529 0.030 . 2 . . . . 34 ASN HB3 . 11323 1 311 . 1 1 34 34 ASN HD21 H 1 7.642 0.030 . 2 . . . . 34 ASN HD21 . 11323 1 312 . 1 1 34 34 ASN HD22 H 1 6.843 0.030 . 2 . . . . 34 ASN HD22 . 11323 1 313 . 1 1 34 34 ASN C C 13 174.153 0.300 . 1 . . . . 34 ASN C . 11323 1 314 . 1 1 34 34 ASN CA C 13 53.020 0.300 . 1 . . . . 34 ASN CA . 11323 1 315 . 1 1 34 34 ASN CB C 13 40.615 0.300 . 1 . . . . 34 ASN CB . 11323 1 316 . 1 1 34 34 ASN N N 15 118.189 0.300 . 1 . . . . 34 ASN N . 11323 1 317 . 1 1 34 34 ASN ND2 N 15 111.958 0.300 . 1 . . . . 34 ASN ND2 . 11323 1 318 . 1 1 35 35 GLU H H 1 6.815 0.030 . 1 . . . . 35 GLU H . 11323 1 319 . 1 1 35 35 GLU HA H 1 4.518 0.030 . 1 . . . . 35 GLU HA . 11323 1 320 . 1 1 35 35 GLU HB2 H 1 1.877 0.030 . 2 . . . . 35 GLU HB2 . 11323 1 321 . 1 1 35 35 GLU HB3 H 1 1.119 0.030 . 2 . . . . 35 GLU HB3 . 11323 1 322 . 1 1 35 35 GLU HG2 H 1 1.713 0.030 . 2 . . . . 35 GLU HG2 . 11323 1 323 . 1 1 35 35 GLU HG3 H 1 1.975 0.030 . 2 . . . . 35 GLU HG3 . 11323 1 324 . 1 1 35 35 GLU C C 13 173.280 0.300 . 1 . . . . 35 GLU C . 11323 1 325 . 1 1 35 35 GLU CA C 13 54.687 0.300 . 1 . . . . 35 GLU CA . 11323 1 326 . 1 1 35 35 GLU CB C 13 33.171 0.300 . 1 . . . . 35 GLU CB . 11323 1 327 . 1 1 35 35 GLU CG C 13 35.868 0.300 . 1 . . . . 35 GLU CG . 11323 1 328 . 1 1 35 35 GLU N N 15 116.873 0.300 . 1 . . . . 35 GLU N . 11323 1 329 . 1 1 36 36 TRP H H 1 9.337 0.030 . 1 . . . . 36 TRP H . 11323 1 330 . 1 1 36 36 TRP HA H 1 4.956 0.030 . 1 . . . . 36 TRP HA . 11323 1 331 . 1 1 36 36 TRP HB2 H 1 2.625 0.030 . 2 . . . . 36 TRP HB2 . 11323 1 332 . 1 1 36 36 TRP HB3 H 1 2.769 0.030 . 2 . . . . 36 TRP HB3 . 11323 1 333 . 1 1 36 36 TRP HD1 H 1 7.101 0.030 . 1 . . . . 36 TRP HD1 . 11323 1 334 . 1 1 36 36 TRP HE1 H 1 10.016 0.030 . 1 . . . . 36 TRP HE1 . 11323 1 335 . 1 1 36 36 TRP HE3 H 1 6.708 0.030 . 1 . . . . 36 TRP HE3 . 11323 1 336 . 1 1 36 36 TRP HH2 H 1 7.089 0.030 . 1 . . . . 36 TRP HH2 . 11323 1 337 . 1 1 36 36 TRP HZ2 H 1 7.373 0.030 . 1 . . . . 36 TRP HZ2 . 11323 1 338 . 1 1 36 36 TRP HZ3 H 1 7.179 0.030 . 1 . . . . 36 TRP HZ3 . 11323 1 339 . 1 1 36 36 TRP C C 13 174.019 0.300 . 1 . . . . 36 TRP C . 11323 1 340 . 1 1 36 36 TRP CA C 13 56.914 0.300 . 1 . . . . 36 TRP CA . 11323 1 341 . 1 1 36 36 TRP CB C 13 32.390 0.300 . 1 . . . . 36 TRP CB . 11323 1 342 . 1 1 36 36 TRP CD1 C 13 126.961 0.300 . 1 . . . . 36 TRP CD1 . 11323 1 343 . 1 1 36 36 TRP CE3 C 13 120.939 0.300 . 1 . . . . 36 TRP CE3 . 11323 1 344 . 1 1 36 36 TRP CH2 C 13 124.232 0.300 . 1 . . . . 36 TRP CH2 . 11323 1 345 . 1 1 36 36 TRP CZ2 C 13 114.351 0.300 . 1 . . . . 36 TRP CZ2 . 11323 1 346 . 1 1 36 36 TRP CZ3 C 13 120.639 0.300 . 1 . . . . 36 TRP CZ3 . 11323 1 347 . 1 1 36 36 TRP N N 15 127.836 0.300 . 1 . . . . 36 TRP N . 11323 1 348 . 1 1 36 36 TRP NE1 N 15 128.754 0.300 . 1 . . . . 36 TRP NE1 . 11323 1 349 . 1 1 37 37 TYR H H 1 9.046 0.030 . 1 . . . . 37 TYR H . 11323 1 350 . 1 1 37 37 TYR HA H 1 6.074 0.030 . 1 . . . . 37 TYR HA . 11323 1 351 . 1 1 37 37 TYR HB2 H 1 3.381 0.030 . 2 . . . . 37 TYR HB2 . 11323 1 352 . 1 1 37 37 TYR HB3 H 1 2.342 0.030 . 2 . . . . 37 TYR HB3 . 11323 1 353 . 1 1 37 37 TYR HD1 H 1 7.518 0.030 . 3 . . . . 37 TYR HD1 . 11323 1 354 . 1 1 37 37 TYR HD2 H 1 6.561 0.030 . 3 . . . . 37 TYR HD2 . 11323 1 355 . 1 1 37 37 TYR HE1 H 1 6.720 0.030 . 3 . . . . 37 TYR HE1 . 11323 1 356 . 1 1 37 37 TYR HE2 H 1 6.115 0.030 . 3 . . . . 37 TYR HE2 . 11323 1 357 . 1 1 37 37 TYR C C 13 176.115 0.300 . 1 . . . . 37 TYR C . 11323 1 358 . 1 1 37 37 TYR CA C 13 57.020 0.300 . 1 . . . . 37 TYR CA . 11323 1 359 . 1 1 37 37 TYR CB C 13 44.306 0.300 . 1 . . . . 37 TYR CB . 11323 1 360 . 1 1 37 37 TYR CD1 C 13 133.779 0.300 . 3 . . . . 37 TYR CD1 . 11323 1 361 . 1 1 37 37 TYR CD2 C 13 133.284 0.300 . 3 . . . . 37 TYR CD2 . 11323 1 362 . 1 1 37 37 TYR CE1 C 13 118.509 0.300 . 3 . . . . 37 TYR CE1 . 11323 1 363 . 1 1 37 37 TYR CE2 C 13 117.337 0.300 . 3 . . . . 37 TYR CE2 . 11323 1 364 . 1 1 37 37 TYR N N 15 115.502 0.300 . 1 . . . . 37 TYR N . 11323 1 365 . 1 1 38 38 CYS H H 1 9.856 0.030 . 1 . . . . 38 CYS H . 11323 1 366 . 1 1 38 38 CYS HA H 1 5.053 0.030 . 1 . . . . 38 CYS HA . 11323 1 367 . 1 1 38 38 CYS HB2 H 1 3.322 0.030 . 2 . . . . 38 CYS HB2 . 11323 1 368 . 1 1 38 38 CYS HB3 H 1 2.825 0.030 . 2 . . . . 38 CYS HB3 . 11323 1 369 . 1 1 38 38 CYS C C 13 175.558 0.300 . 1 . . . . 38 CYS C . 11323 1 370 . 1 1 38 38 CYS CA C 13 59.978 0.300 . 1 . . . . 38 CYS CA . 11323 1 371 . 1 1 38 38 CYS CB C 13 31.732 0.300 . 1 . . . . 38 CYS CB . 11323 1 372 . 1 1 38 38 CYS N N 15 119.447 0.300 . 1 . . . . 38 CYS N . 11323 1 373 . 1 1 39 39 CYS H H 1 7.543 0.030 . 1 . . . . 39 CYS H . 11323 1 374 . 1 1 39 39 CYS HA H 1 4.887 0.030 . 1 . . . . 39 CYS HA . 11323 1 375 . 1 1 39 39 CYS HB2 H 1 3.133 0.030 . 2 . . . . 39 CYS HB2 . 11323 1 376 . 1 1 39 39 CYS HB3 H 1 3.679 0.030 . 2 . . . . 39 CYS HB3 . 11323 1 377 . 1 1 39 39 CYS C C 13 173.655 0.300 . 1 . . . . 39 CYS C . 11323 1 378 . 1 1 39 39 CYS CA C 13 56.385 0.300 . 1 . . . . 39 CYS CA . 11323 1 379 . 1 1 39 39 CYS CB C 13 30.386 0.300 . 1 . . . . 39 CYS CB . 11323 1 380 . 1 1 39 39 CYS N N 15 115.152 0.300 . 1 . . . . 39 CYS N . 11323 1 381 . 1 1 40 40 ARG H H 1 8.315 0.030 . 1 . . . . 40 ARG H . 11323 1 382 . 1 1 40 40 ARG HA H 1 4.006 0.030 . 1 . . . . 40 ARG HA . 11323 1 383 . 1 1 40 40 ARG HB2 H 1 1.803 0.030 . 2 . . . . 40 ARG HB2 . 11323 1 384 . 1 1 40 40 ARG HB3 H 1 1.895 0.030 . 2 . . . . 40 ARG HB3 . 11323 1 385 . 1 1 40 40 ARG HD2 H 1 3.092 0.030 . 2 . . . . 40 ARG HD2 . 11323 1 386 . 1 1 40 40 ARG HD3 H 1 3.213 0.030 . 2 . . . . 40 ARG HD3 . 11323 1 387 . 1 1 40 40 ARG HG2 H 1 1.623 0.030 . 1 . . . . 40 ARG HG2 . 11323 1 388 . 1 1 40 40 ARG HG3 H 1 1.623 0.030 . 1 . . . . 40 ARG HG3 . 11323 1 389 . 1 1 40 40 ARG C C 13 177.170 0.300 . 1 . . . . 40 ARG C . 11323 1 390 . 1 1 40 40 ARG CA C 13 58.536 0.300 . 1 . . . . 40 ARG CA . 11323 1 391 . 1 1 40 40 ARG CB C 13 29.678 0.300 . 1 . . . . 40 ARG CB . 11323 1 392 . 1 1 40 40 ARG CD C 13 43.126 0.300 . 1 . . . . 40 ARG CD . 11323 1 393 . 1 1 40 40 ARG CG C 13 27.081 0.300 . 1 . . . . 40 ARG CG . 11323 1 394 . 1 1 41 41 GLU H H 1 8.976 0.030 . 1 . . . . 41 GLU H . 11323 1 395 . 1 1 41 41 GLU HA H 1 3.892 0.030 . 1 . . . . 41 GLU HA . 11323 1 396 . 1 1 41 41 GLU HB2 H 1 1.925 0.030 . 2 . . . . 41 GLU HB2 . 11323 1 397 . 1 1 41 41 GLU HB3 H 1 2.298 0.030 . 2 . . . . 41 GLU HB3 . 11323 1 398 . 1 1 41 41 GLU HG2 H 1 2.252 0.030 . 2 . . . . 41 GLU HG2 . 11323 1 399 . 1 1 41 41 GLU HG3 H 1 2.425 0.030 . 2 . . . . 41 GLU HG3 . 11323 1 400 . 1 1 41 41 GLU C C 13 179.145 0.300 . 1 . . . . 41 GLU C . 11323 1 401 . 1 1 41 41 GLU CA C 13 61.335 0.300 . 1 . . . . 41 GLU CA . 11323 1 402 . 1 1 41 41 GLU CB C 13 28.812 0.300 . 1 . . . . 41 GLU CB . 11323 1 403 . 1 1 41 41 GLU CG C 13 37.430 0.300 . 1 . . . . 41 GLU CG . 11323 1 404 . 1 1 41 41 GLU N N 15 119.811 0.300 . 1 . . . . 41 GLU N . 11323 1 405 . 1 1 42 42 CYS H H 1 7.825 0.030 . 1 . . . . 42 CYS H . 11323 1 406 . 1 1 42 42 CYS HA H 1 3.645 0.030 . 1 . . . . 42 CYS HA . 11323 1 407 . 1 1 42 42 CYS HB2 H 1 3.054 0.030 . 2 . . . . 42 CYS HB2 . 11323 1 408 . 1 1 42 42 CYS HB3 H 1 3.126 0.030 . 2 . . . . 42 CYS HB3 . 11323 1 409 . 1 1 42 42 CYS C C 13 176.079 0.300 . 1 . . . . 42 CYS C . 11323 1 410 . 1 1 42 42 CYS CA C 13 66.248 0.300 . 1 . . . . 42 CYS CA . 11323 1 411 . 1 1 42 42 CYS CB C 13 31.650 0.300 . 1 . . . . 42 CYS CB . 11323 1 412 . 1 1 42 42 CYS N N 15 120.663 0.300 . 1 . . . . 42 CYS N . 11323 1 413 . 1 1 43 43 GLN H H 1 6.942 0.030 . 1 . . . . 43 GLN H . 11323 1 414 . 1 1 43 43 GLN HA H 1 2.162 0.030 . 1 . . . . 43 GLN HA . 11323 1 415 . 1 1 43 43 GLN HB2 H 1 1.308 0.030 . 2 . . . . 43 GLN HB2 . 11323 1 416 . 1 1 43 43 GLN HB3 H 1 2.172 0.030 . 2 . . . . 43 GLN HB3 . 11323 1 417 . 1 1 43 43 GLN HE21 H 1 7.546 0.030 . 2 . . . . 43 GLN HE21 . 11323 1 418 . 1 1 43 43 GLN HE22 H 1 7.147 0.030 . 2 . . . . 43 GLN HE22 . 11323 1 419 . 1 1 43 43 GLN HG2 H 1 1.908 0.030 . 2 . . . . 43 GLN HG2 . 11323 1 420 . 1 1 43 43 GLN HG3 H 1 2.032 0.030 . 2 . . . . 43 GLN HG3 . 11323 1 421 . 1 1 43 43 GLN C C 13 179.048 0.300 . 1 . . . . 43 GLN C . 11323 1 422 . 1 1 43 43 GLN CA C 13 58.934 0.300 . 1 . . . . 43 GLN CA . 11323 1 423 . 1 1 43 43 GLN CB C 13 28.262 0.300 . 1 . . . . 43 GLN CB . 11323 1 424 . 1 1 43 43 GLN CG C 13 33.400 0.300 . 1 . . . . 43 GLN CG . 11323 1 425 . 1 1 43 43 GLN N N 15 119.024 0.300 . 1 . . . . 43 GLN N . 11323 1 426 . 1 1 43 43 GLN NE2 N 15 111.560 0.300 . 1 . . . . 43 GLN NE2 . 11323 1 427 . 1 1 44 44 VAL H H 1 8.183 0.030 . 1 . . . . 44 VAL H . 11323 1 428 . 1 1 44 44 VAL HA H 1 3.638 0.030 . 1 . . . . 44 VAL HA . 11323 1 429 . 1 1 44 44 VAL HB H 1 2.067 0.030 . 1 . . . . 44 VAL HB . 11323 1 430 . 1 1 44 44 VAL HG11 H 1 0.921 0.030 . 1 . . . . 44 VAL HG1 . 11323 1 431 . 1 1 44 44 VAL HG12 H 1 0.921 0.030 . 1 . . . . 44 VAL HG1 . 11323 1 432 . 1 1 44 44 VAL HG13 H 1 0.921 0.030 . 1 . . . . 44 VAL HG1 . 11323 1 433 . 1 1 44 44 VAL HG21 H 1 0.873 0.030 . 1 . . . . 44 VAL HG2 . 11323 1 434 . 1 1 44 44 VAL HG22 H 1 0.873 0.030 . 1 . . . . 44 VAL HG2 . 11323 1 435 . 1 1 44 44 VAL HG23 H 1 0.873 0.030 . 1 . . . . 44 VAL HG2 . 11323 1 436 . 1 1 44 44 VAL C C 13 179.957 0.300 . 1 . . . . 44 VAL C . 11323 1 437 . 1 1 44 44 VAL CA C 13 66.356 0.300 . 1 . . . . 44 VAL CA . 11323 1 438 . 1 1 44 44 VAL CB C 13 31.773 0.300 . 1 . . . . 44 VAL CB . 11323 1 439 . 1 1 44 44 VAL CG1 C 13 22.125 0.300 . 2 . . . . 44 VAL CG1 . 11323 1 440 . 1 1 44 44 VAL CG2 C 13 20.945 0.300 . 2 . . . . 44 VAL CG2 . 11323 1 441 . 1 1 44 44 VAL N N 15 119.167 0.300 . 1 . . . . 44 VAL N . 11323 1 442 . 1 1 45 45 LYS H H 1 8.067 0.030 . 1 . . . . 45 LYS H . 11323 1 443 . 1 1 45 45 LYS HA H 1 3.950 0.030 . 1 . . . . 45 LYS HA . 11323 1 444 . 1 1 45 45 LYS HB2 H 1 1.202 0.030 . 2 . . . . 45 LYS HB2 . 11323 1 445 . 1 1 45 45 LYS HB3 H 1 0.883 0.030 . 2 . . . . 45 LYS HB3 . 11323 1 446 . 1 1 45 45 LYS HD2 H 1 1.581 0.030 . 2 . . . . 45 LYS HD2 . 11323 1 447 . 1 1 45 45 LYS HD3 H 1 1.416 0.030 . 2 . . . . 45 LYS HD3 . 11323 1 448 . 1 1 45 45 LYS HE2 H 1 2.853 0.030 . 1 . . . . 45 LYS HE2 . 11323 1 449 . 1 1 45 45 LYS HE3 H 1 2.853 0.030 . 1 . . . . 45 LYS HE3 . 11323 1 450 . 1 1 45 45 LYS HG2 H 1 1.315 0.030 . 2 . . . . 45 LYS HG2 . 11323 1 451 . 1 1 45 45 LYS HG3 H 1 1.496 0.030 . 2 . . . . 45 LYS HG3 . 11323 1 452 . 1 1 45 45 LYS C C 13 178.442 0.300 . 1 . . . . 45 LYS C . 11323 1 453 . 1 1 45 45 LYS CA C 13 59.450 0.300 . 1 . . . . 45 LYS CA . 11323 1 454 . 1 1 45 45 LYS CB C 13 31.511 0.300 . 1 . . . . 45 LYS CB . 11323 1 455 . 1 1 45 45 LYS CD C 13 29.442 0.300 . 1 . . . . 45 LYS CD . 11323 1 456 . 1 1 45 45 LYS CE C 13 42.421 0.300 . 1 . . . . 45 LYS CE . 11323 1 457 . 1 1 45 45 LYS CG C 13 26.375 0.300 . 1 . . . . 45 LYS CG . 11323 1 458 . 1 1 45 45 LYS N N 15 120.262 0.300 . 1 . . . . 45 LYS N . 11323 1 459 . 1 1 46 46 HIS H H 1 7.914 0.030 . 1 . . . . 46 HIS H . 11323 1 460 . 1 1 46 46 HIS HA H 1 4.814 0.030 . 1 . . . . 46 HIS HA . 11323 1 461 . 1 1 46 46 HIS HB2 H 1 3.551 0.030 . 2 . . . . 46 HIS HB2 . 11323 1 462 . 1 1 46 46 HIS HB3 H 1 3.298 0.030 . 2 . . . . 46 HIS HB3 . 11323 1 463 . 1 1 46 46 HIS HD2 H 1 7.637 0.030 . 1 . . . . 46 HIS HD2 . 11323 1 464 . 1 1 46 46 HIS HE1 H 1 7.989 0.030 . 1 . . . . 46 HIS HE1 . 11323 1 465 . 1 1 46 46 HIS C C 13 176.370 0.300 . 1 . . . . 46 HIS C . 11323 1 466 . 1 1 46 46 HIS CA C 13 57.054 0.300 . 1 . . . . 46 HIS CA . 11323 1 467 . 1 1 46 46 HIS CB C 13 34.058 0.300 . 1 . . . . 46 HIS CB . 11323 1 468 . 1 1 46 46 HIS CD2 C 13 116.795 0.300 . 1 . . . . 46 HIS CD2 . 11323 1 469 . 1 1 46 46 HIS CE1 C 13 137.099 0.300 . 1 . . . . 46 HIS CE1 . 11323 1 470 . 1 1 46 46 HIS N N 15 116.874 0.300 . 1 . . . . 46 HIS N . 11323 1 471 . 1 1 47 47 TRP H H 1 7.794 0.030 . 1 . . . . 47 TRP H . 11323 1 472 . 1 1 47 47 TRP HA H 1 4.672 0.030 . 1 . . . . 47 TRP HA . 11323 1 473 . 1 1 47 47 TRP HB2 H 1 3.582 0.030 . 2 . . . . 47 TRP HB2 . 11323 1 474 . 1 1 47 47 TRP HB3 H 1 3.351 0.030 . 2 . . . . 47 TRP HB3 . 11323 1 475 . 1 1 47 47 TRP HD1 H 1 7.223 0.030 . 1 . . . . 47 TRP HD1 . 11323 1 476 . 1 1 47 47 TRP HE1 H 1 10.000 0.030 . 1 . . . . 47 TRP HE1 . 11323 1 477 . 1 1 47 47 TRP HE3 H 1 8.098 0.030 . 1 . . . . 47 TRP HE3 . 11323 1 478 . 1 1 47 47 TRP HH2 H 1 7.189 0.030 . 1 . . . . 47 TRP HH2 . 11323 1 479 . 1 1 47 47 TRP HZ2 H 1 7.462 0.030 . 1 . . . . 47 TRP HZ2 . 11323 1 480 . 1 1 47 47 TRP HZ3 H 1 7.600 0.030 . 1 . . . . 47 TRP HZ3 . 11323 1 481 . 1 1 47 47 TRP C C 13 177.364 0.300 . 1 . . . . 47 TRP C . 11323 1 482 . 1 1 47 47 TRP CA C 13 60.595 0.300 . 1 . . . . 47 TRP CA . 11323 1 483 . 1 1 47 47 TRP CB C 13 29.840 0.300 . 1 . . . . 47 TRP CB . 11323 1 484 . 1 1 47 47 TRP CD1 C 13 127.426 0.300 . 1 . . . . 47 TRP CD1 . 11323 1 485 . 1 1 47 47 TRP CE3 C 13 121.637 0.300 . 1 . . . . 47 TRP CE3 . 11323 1 486 . 1 1 47 47 TRP CH2 C 13 124.632 0.300 . 1 . . . . 47 TRP CH2 . 11323 1 487 . 1 1 47 47 TRP CZ2 C 13 114.616 0.300 . 1 . . . . 47 TRP CZ2 . 11323 1 488 . 1 1 47 47 TRP CZ3 C 13 122.602 0.300 . 1 . . . . 47 TRP CZ3 . 11323 1 489 . 1 1 47 47 TRP N N 15 122.401 0.300 . 1 . . . . 47 TRP N . 11323 1 490 . 1 1 47 47 TRP NE1 N 15 128.295 0.300 . 1 . . . . 47 TRP NE1 . 11323 1 491 . 1 1 48 48 GLU H H 1 8.423 0.030 . 1 . . . . 48 GLU H . 11323 1 492 . 1 1 48 48 GLU HA H 1 3.778 0.030 . 1 . . . . 48 GLU HA . 11323 1 493 . 1 1 48 48 GLU HB2 H 1 2.036 0.030 . 2 . . . . 48 GLU HB2 . 11323 1 494 . 1 1 48 48 GLU HB3 H 1 2.138 0.030 . 2 . . . . 48 GLU HB3 . 11323 1 495 . 1 1 48 48 GLU HG2 H 1 2.299 0.030 . 1 . . . . 48 GLU HG2 . 11323 1 496 . 1 1 48 48 GLU HG3 H 1 2.299 0.030 . 1 . . . . 48 GLU HG3 . 11323 1 497 . 1 1 48 48 GLU C C 13 177.400 0.300 . 1 . . . . 48 GLU C . 11323 1 498 . 1 1 48 48 GLU CA C 13 59.556 0.300 . 1 . . . . 48 GLU CA . 11323 1 499 . 1 1 48 48 GLU CB C 13 28.977 0.300 . 1 . . . . 48 GLU CB . 11323 1 500 . 1 1 48 48 GLU CG C 13 36.048 0.300 . 1 . . . . 48 GLU CG . 11323 1 501 . 1 1 48 48 GLU N N 15 117.743 0.300 . 1 . . . . 48 GLU N . 11323 1 502 . 1 1 49 49 LYS H H 1 7.340 0.030 . 1 . . . . 49 LYS H . 11323 1 503 . 1 1 49 49 LYS HA H 1 4.224 0.030 . 1 . . . . 49 LYS HA . 11323 1 504 . 1 1 49 49 LYS HB2 H 1 1.436 0.030 . 2 . . . . 49 LYS HB2 . 11323 1 505 . 1 1 49 49 LYS HB3 H 1 1.613 0.030 . 2 . . . . 49 LYS HB3 . 11323 1 506 . 1 1 49 49 LYS HD2 H 1 1.765 0.030 . 1 . . . . 49 LYS HD2 . 11323 1 507 . 1 1 49 49 LYS HD3 H 1 1.765 0.030 . 1 . . . . 49 LYS HD3 . 11323 1 508 . 1 1 49 49 LYS HE2 H 1 3.083 0.030 . 1 . . . . 49 LYS HE2 . 11323 1 509 . 1 1 49 49 LYS HE3 H 1 3.083 0.030 . 1 . . . . 49 LYS HE3 . 11323 1 510 . 1 1 49 49 LYS HG2 H 1 1.418 0.030 . 2 . . . . 49 LYS HG2 . 11323 1 511 . 1 1 49 49 LYS HG3 H 1 1.482 0.030 . 2 . . . . 49 LYS HG3 . 11323 1 512 . 1 1 49 49 LYS C C 13 178.418 0.300 . 1 . . . . 49 LYS C . 11323 1 513 . 1 1 49 49 LYS CA C 13 57.371 0.300 . 1 . . . . 49 LYS CA . 11323 1 514 . 1 1 49 49 LYS CB C 13 33.377 0.300 . 1 . . . . 49 LYS CB . 11323 1 515 . 1 1 49 49 LYS CD C 13 28.969 0.300 . 1 . . . . 49 LYS CD . 11323 1 516 . 1 1 49 49 LYS CE C 13 42.419 0.300 . 1 . . . . 49 LYS CE . 11323 1 517 . 1 1 49 49 LYS CG C 13 25.175 0.300 . 1 . . . . 49 LYS CG . 11323 1 518 . 1 1 49 49 LYS N N 15 116.331 0.300 . 1 . . . . 49 LYS N . 11323 1 519 . 1 1 50 50 HIS H H 1 8.456 0.030 . 1 . . . . 50 HIS H . 11323 1 520 . 1 1 50 50 HIS HA H 1 4.107 0.030 . 1 . . . . 50 HIS HA . 11323 1 521 . 1 1 50 50 HIS HB2 H 1 3.405 0.030 . 2 . . . . 50 HIS HB2 . 11323 1 522 . 1 1 50 50 HIS HB3 H 1 2.979 0.030 . 2 . . . . 50 HIS HB3 . 11323 1 523 . 1 1 50 50 HIS HD2 H 1 7.277 0.030 . 1 . . . . 50 HIS HD2 . 11323 1 524 . 1 1 50 50 HIS HE1 H 1 7.910 0.030 . 1 . . . . 50 HIS HE1 . 11323 1 525 . 1 1 50 50 HIS C C 13 176.394 0.300 . 1 . . . . 50 HIS C . 11323 1 526 . 1 1 50 50 HIS CA C 13 58.464 0.300 . 1 . . . . 50 HIS CA . 11323 1 527 . 1 1 50 50 HIS CB C 13 30.170 0.300 . 1 . . . . 50 HIS CB . 11323 1 528 . 1 1 50 50 HIS CD2 C 13 127.583 0.300 . 1 . . . . 50 HIS CD2 . 11323 1 529 . 1 1 50 50 HIS CE1 C 13 139.703 0.300 . 1 . . . . 50 HIS CE1 . 11323 1 530 . 1 1 50 50 HIS N N 15 119.350 0.300 . 1 . . . . 50 HIS N . 11323 1 531 . 1 1 51 51 GLY H H 1 8.648 0.030 . 1 . . . . 51 GLY H . 11323 1 532 . 1 1 51 51 GLY HA2 H 1 2.398 0.030 . 2 . . . . 51 GLY HA2 . 11323 1 533 . 1 1 51 51 GLY HA3 H 1 2.102 0.030 . 2 . . . . 51 GLY HA3 . 11323 1 534 . 1 1 51 51 GLY C C 13 174.928 0.300 . 1 . . . . 51 GLY C . 11323 1 535 . 1 1 51 51 GLY CA C 13 45.410 0.300 . 1 . . . . 51 GLY CA . 11323 1 536 . 1 1 51 51 GLY N N 15 105.828 0.300 . 1 . . . . 51 GLY N . 11323 1 537 . 1 1 52 52 LYS H H 1 6.927 0.030 . 1 . . . . 52 LYS H . 11323 1 538 . 1 1 52 52 LYS HA H 1 3.949 0.030 . 1 . . . . 52 LYS HA . 11323 1 539 . 1 1 52 52 LYS HB2 H 1 1.732 0.030 . 2 . . . . 52 LYS HB2 . 11323 1 540 . 1 1 52 52 LYS HB3 H 1 1.782 0.030 . 2 . . . . 52 LYS HB3 . 11323 1 541 . 1 1 52 52 LYS HD2 H 1 1.633 0.030 . 1 . . . . 52 LYS HD2 . 11323 1 542 . 1 1 52 52 LYS HD3 H 1 1.633 0.030 . 1 . . . . 52 LYS HD3 . 11323 1 543 . 1 1 52 52 LYS HE2 H 1 3.004 0.030 . 1 . . . . 52 LYS HE2 . 11323 1 544 . 1 1 52 52 LYS HE3 H 1 3.004 0.030 . 1 . . . . 52 LYS HE3 . 11323 1 545 . 1 1 52 52 LYS HG2 H 1 1.345 0.030 . 2 . . . . 52 LYS HG2 . 11323 1 546 . 1 1 52 52 LYS HG3 H 1 1.431 0.030 . 2 . . . . 52 LYS HG3 . 11323 1 547 . 1 1 52 52 LYS C C 13 177.739 0.300 . 1 . . . . 52 LYS C . 11323 1 548 . 1 1 52 52 LYS CA C 13 57.990 0.300 . 1 . . . . 52 LYS CA . 11323 1 549 . 1 1 52 52 LYS CB C 13 32.273 0.300 . 1 . . . . 52 LYS CB . 11323 1 550 . 1 1 52 52 LYS CD C 13 28.959 0.300 . 1 . . . . 52 LYS CD . 11323 1 551 . 1 1 52 52 LYS CE C 13 42.119 0.300 . 1 . . . . 52 LYS CE . 11323 1 552 . 1 1 52 52 LYS CG C 13 24.846 0.300 . 1 . . . . 52 LYS CG . 11323 1 553 . 1 1 52 52 LYS N N 15 116.783 0.300 . 1 . . . . 52 LYS N . 11323 1 554 . 1 1 53 53 THR H H 1 7.379 0.030 . 1 . . . . 53 THR H . 11323 1 555 . 1 1 53 53 THR HA H 1 4.340 0.030 . 1 . . . . 53 THR HA . 11323 1 556 . 1 1 53 53 THR HB H 1 4.316 0.030 . 1 . . . . 53 THR HB . 11323 1 557 . 1 1 53 53 THR HG21 H 1 1.084 0.030 . 1 . . . . 53 THR HG2 . 11323 1 558 . 1 1 53 53 THR HG22 H 1 1.084 0.030 . 1 . . . . 53 THR HG2 . 11323 1 559 . 1 1 53 53 THR HG23 H 1 1.084 0.030 . 1 . . . . 53 THR HG2 . 11323 1 560 . 1 1 53 53 THR C C 13 173.716 0.300 . 1 . . . . 53 THR C . 11323 1 561 . 1 1 53 53 THR CA C 13 61.119 0.300 . 1 . . . . 53 THR CA . 11323 1 562 . 1 1 53 53 THR CB C 13 69.567 0.300 . 1 . . . . 53 THR CB . 11323 1 563 . 1 1 53 53 THR CG2 C 13 21.556 0.300 . 1 . . . . 53 THR CG2 . 11323 1 564 . 1 1 53 53 THR N N 15 107.338 0.300 . 1 . . . . 53 THR N . 11323 1 565 . 1 1 54 54 CYS H H 1 7.086 0.030 . 1 . . . . 54 CYS H . 11323 1 566 . 1 1 54 54 CYS HA H 1 3.802 0.030 . 1 . . . . 54 CYS HA . 11323 1 567 . 1 1 54 54 CYS HB2 H 1 2.576 0.030 . 2 . . . . 54 CYS HB2 . 11323 1 568 . 1 1 54 54 CYS HB3 H 1 1.726 0.030 . 2 . . . . 54 CYS HB3 . 11323 1 569 . 1 1 54 54 CYS C C 13 175.607 0.300 . 1 . . . . 54 CYS C . 11323 1 570 . 1 1 54 54 CYS CA C 13 61.758 0.300 . 1 . . . . 54 CYS CA . 11323 1 571 . 1 1 54 54 CYS CB C 13 29.470 0.300 . 1 . . . . 54 CYS CB . 11323 1 572 . 1 1 54 54 CYS N N 15 126.688 0.300 . 1 . . . . 54 CYS N . 11323 1 573 . 1 1 55 55 VAL H H 1 7.842 0.030 . 1 . . . . 55 VAL H . 11323 1 574 . 1 1 55 55 VAL HA H 1 4.180 0.030 . 1 . . . . 55 VAL HA . 11323 1 575 . 1 1 55 55 VAL HB H 1 2.040 0.030 . 1 . . . . 55 VAL HB . 11323 1 576 . 1 1 55 55 VAL HG11 H 1 0.915 0.030 . 1 . . . . 55 VAL HG1 . 11323 1 577 . 1 1 55 55 VAL HG12 H 1 0.915 0.030 . 1 . . . . 55 VAL HG1 . 11323 1 578 . 1 1 55 55 VAL HG13 H 1 0.915 0.030 . 1 . . . . 55 VAL HG1 . 11323 1 579 . 1 1 55 55 VAL HG21 H 1 0.926 0.030 . 1 . . . . 55 VAL HG2 . 11323 1 580 . 1 1 55 55 VAL HG22 H 1 0.926 0.030 . 1 . . . . 55 VAL HG2 . 11323 1 581 . 1 1 55 55 VAL HG23 H 1 0.926 0.030 . 1 . . . . 55 VAL HG2 . 11323 1 582 . 1 1 55 55 VAL C C 13 175.470 0.300 . 1 . . . . 55 VAL C . 11323 1 583 . 1 1 55 55 VAL CA C 13 61.775 0.300 . 1 . . . . 55 VAL CA . 11323 1 584 . 1 1 55 55 VAL CB C 13 33.336 0.300 . 1 . . . . 55 VAL CB . 11323 1 585 . 1 1 55 55 VAL CG1 C 13 20.490 0.300 . 2 . . . . 55 VAL CG1 . 11323 1 586 . 1 1 55 55 VAL CG2 C 13 21.184 0.300 . 2 . . . . 55 VAL CG2 . 11323 1 587 . 1 1 55 55 VAL N N 15 126.701 0.300 . 1 . . . . 55 VAL N . 11323 1 588 . 1 1 56 56 LEU H H 1 8.055 0.030 . 1 . . . . 56 LEU H . 11323 1 589 . 1 1 56 56 LEU HA H 1 4.040 0.030 . 1 . . . . 56 LEU HA . 11323 1 590 . 1 1 56 56 LEU HB2 H 1 1.534 0.030 . 2 . . . . 56 LEU HB2 . 11323 1 591 . 1 1 56 56 LEU HB3 H 1 1.648 0.030 . 2 . . . . 56 LEU HB3 . 11323 1 592 . 1 1 56 56 LEU HD11 H 1 0.893 0.030 . 1 . . . . 56 LEU HD1 . 11323 1 593 . 1 1 56 56 LEU HD12 H 1 0.893 0.030 . 1 . . . . 56 LEU HD1 . 11323 1 594 . 1 1 56 56 LEU HD13 H 1 0.893 0.030 . 1 . . . . 56 LEU HD1 . 11323 1 595 . 1 1 56 56 LEU HD21 H 1 0.967 0.030 . 1 . . . . 56 LEU HD2 . 11323 1 596 . 1 1 56 56 LEU HD22 H 1 0.967 0.030 . 1 . . . . 56 LEU HD2 . 11323 1 597 . 1 1 56 56 LEU HD23 H 1 0.967 0.030 . 1 . . . . 56 LEU HD2 . 11323 1 598 . 1 1 56 56 LEU HG H 1 1.630 0.030 . 1 . . . . 56 LEU HG . 11323 1 599 . 1 1 56 56 LEU C C 13 177.160 0.300 . 1 . . . . 56 LEU C . 11323 1 600 . 1 1 56 56 LEU CA C 13 55.856 0.300 . 1 . . . . 56 LEU CA . 11323 1 601 . 1 1 56 56 LEU CB C 13 42.219 0.300 . 1 . . . . 56 LEU CB . 11323 1 602 . 1 1 56 56 LEU CD1 C 13 24.544 0.300 . 2 . . . . 56 LEU CD1 . 11323 1 603 . 1 1 56 56 LEU CD2 C 13 24.741 0.300 . 2 . . . . 56 LEU CD2 . 11323 1 604 . 1 1 56 56 LEU CG C 13 27.081 0.300 . 1 . . . . 56 LEU CG . 11323 1 605 . 1 1 56 56 LEU N N 15 125.328 0.300 . 1 . . . . 56 LEU N . 11323 1 606 . 1 1 57 57 ALA H H 1 8.212 0.030 . 1 . . . . 57 ALA H . 11323 1 607 . 1 1 57 57 ALA HA H 1 4.316 0.030 . 1 . . . . 57 ALA HA . 11323 1 608 . 1 1 57 57 ALA HB1 H 1 1.368 0.030 . 1 . . . . 57 ALA HB . 11323 1 609 . 1 1 57 57 ALA HB2 H 1 1.368 0.030 . 1 . . . . 57 ALA HB . 11323 1 610 . 1 1 57 57 ALA HB3 H 1 1.368 0.030 . 1 . . . . 57 ALA HB . 11323 1 611 . 1 1 57 57 ALA C C 13 177.642 0.300 . 1 . . . . 57 ALA C . 11323 1 612 . 1 1 57 57 ALA CA C 13 52.514 0.300 . 1 . . . . 57 ALA CA . 11323 1 613 . 1 1 57 57 ALA CB C 13 19.024 0.300 . 1 . . . . 57 ALA CB . 11323 1 614 . 1 1 57 57 ALA N N 15 127.067 0.300 . 1 . . . . 57 ALA N . 11323 1 615 . 1 1 58 58 ALA H H 1 8.337 0.030 . 1 . . . . 58 ALA H . 11323 1 616 . 1 1 58 58 ALA HA H 1 4.293 0.030 . 1 . . . . 58 ALA HA . 11323 1 617 . 1 1 58 58 ALA HB1 H 1 1.392 0.030 . 1 . . . . 58 ALA HB . 11323 1 618 . 1 1 58 58 ALA HB2 H 1 1.392 0.030 . 1 . . . . 58 ALA HB . 11323 1 619 . 1 1 58 58 ALA HB3 H 1 1.392 0.030 . 1 . . . . 58 ALA HB . 11323 1 620 . 1 1 58 58 ALA C C 13 177.824 0.300 . 1 . . . . 58 ALA C . 11323 1 621 . 1 1 58 58 ALA CA C 13 52.597 0.300 . 1 . . . . 58 ALA CA . 11323 1 622 . 1 1 58 58 ALA CB C 13 19.148 0.300 . 1 . . . . 58 ALA CB . 11323 1 623 . 1 1 58 58 ALA N N 15 123.523 0.300 . 1 . . . . 58 ALA N . 11323 1 624 . 1 1 59 59 GLN H H 1 8.349 0.030 . 1 . . . . 59 GLN H . 11323 1 625 . 1 1 59 59 GLN HA H 1 4.319 0.030 . 1 . . . . 59 GLN HA . 11323 1 626 . 1 1 59 59 GLN HB2 H 1 2.013 0.030 . 2 . . . . 59 GLN HB2 . 11323 1 627 . 1 1 59 59 GLN HB3 H 1 2.152 0.030 . 2 . . . . 59 GLN HB3 . 11323 1 628 . 1 1 59 59 GLN HE21 H 1 6.877 0.030 . 2 . . . . 59 GLN HE21 . 11323 1 629 . 1 1 59 59 GLN HE22 H 1 7.559 0.030 . 2 . . . . 59 GLN HE22 . 11323 1 630 . 1 1 59 59 GLN HG2 H 1 2.394 0.030 . 1 . . . . 59 GLN HG2 . 11323 1 631 . 1 1 59 59 GLN HG3 H 1 2.394 0.030 . 1 . . . . 59 GLN HG3 . 11323 1 632 . 1 1 59 59 GLN C C 13 176.758 0.300 . 1 . . . . 59 GLN C . 11323 1 633 . 1 1 59 59 GLN CA C 13 56.121 0.300 . 1 . . . . 59 GLN CA . 11323 1 634 . 1 1 59 59 GLN CB C 13 29.552 0.300 . 1 . . . . 59 GLN CB . 11323 1 635 . 1 1 59 59 GLN CG C 13 33.925 0.300 . 1 . . . . 59 GLN CG . 11323 1 636 . 1 1 59 59 GLN N N 15 119.335 0.300 . 1 . . . . 59 GLN N . 11323 1 637 . 1 1 59 59 GLN NE2 N 15 112.622 0.300 . 1 . . . . 59 GLN NE2 . 11323 1 638 . 1 1 60 60 GLY H H 1 8.373 0.030 . 1 . . . . 60 GLY H . 11323 1 639 . 1 1 60 60 GLY HA2 H 1 3.961 0.030 . 1 . . . . 60 GLY HA2 . 11323 1 640 . 1 1 60 60 GLY HA3 H 1 3.961 0.030 . 1 . . . . 60 GLY HA3 . 11323 1 641 . 1 1 60 60 GLY C C 13 174.116 0.300 . 1 . . . . 60 GLY C . 11323 1 642 . 1 1 60 60 GLY CA C 13 45.370 0.300 . 1 . . . . 60 GLY CA . 11323 1 643 . 1 1 60 60 GLY N N 15 109.514 0.300 . 1 . . . . 60 GLY N . 11323 1 644 . 1 1 61 61 ASP HA H 1 4.565 0.030 . 1 . . . . 61 ASP HA . 11323 1 645 . 1 1 61 61 ASP HB2 H 1 2.702 0.030 . 2 . . . . 61 ASP HB2 . 11323 1 646 . 1 1 61 61 ASP HB3 H 1 2.646 0.030 . 2 . . . . 61 ASP HB3 . 11323 1 647 . 1 1 61 61 ASP C C 13 176.758 0.300 . 1 . . . . 61 ASP C . 11323 1 648 . 1 1 61 61 ASP CA C 13 54.621 0.300 . 1 . . . . 61 ASP CA . 11323 1 649 . 1 1 61 61 ASP CB C 13 41.214 0.300 . 1 . . . . 61 ASP CB . 11323 1 650 . 1 1 62 62 ARG H H 1 8.267 0.030 . 1 . . . . 62 ARG H . 11323 1 651 . 1 1 62 62 ARG HA H 1 4.284 0.030 . 1 . . . . 62 ARG HA . 11323 1 652 . 1 1 62 62 ARG HB2 H 1 1.798 0.030 . 2 . . . . 62 ARG HB2 . 11323 1 653 . 1 1 62 62 ARG HB3 H 1 1.904 0.030 . 2 . . . . 62 ARG HB3 . 11323 1 654 . 1 1 62 62 ARG HD2 H 1 3.219 0.030 . 1 . . . . 62 ARG HD2 . 11323 1 655 . 1 1 62 62 ARG HD3 H 1 3.219 0.030 . 1 . . . . 62 ARG HD3 . 11323 1 656 . 1 1 62 62 ARG HG2 H 1 1.666 0.030 . 1 . . . . 62 ARG HG2 . 11323 1 657 . 1 1 62 62 ARG HG3 H 1 1.666 0.030 . 1 . . . . 62 ARG HG3 . 11323 1 658 . 1 1 62 62 ARG C C 13 176.467 0.300 . 1 . . . . 62 ARG C . 11323 1 659 . 1 1 62 62 ARG CA C 13 56.385 0.300 . 1 . . . . 62 ARG CA . 11323 1 660 . 1 1 62 62 ARG CB C 13 30.457 0.300 . 1 . . . . 62 ARG CB . 11323 1 661 . 1 1 62 62 ARG CD C 13 43.365 0.300 . 1 . . . . 62 ARG CD . 11323 1 662 . 1 1 62 62 ARG CG C 13 26.985 0.300 . 1 . . . . 62 ARG CG . 11323 1 663 . 1 1 62 62 ARG N N 15 121.377 0.300 . 1 . . . . 62 ARG N . 11323 1 664 . 1 1 63 63 ALA H H 1 8.249 0.030 . 1 . . . . 63 ALA H . 11323 1 665 . 1 1 63 63 ALA HA H 1 4.269 0.030 . 1 . . . . 63 ALA HA . 11323 1 666 . 1 1 63 63 ALA HB1 H 1 1.399 0.030 . 1 . . . . 63 ALA HB . 11323 1 667 . 1 1 63 63 ALA HB2 H 1 1.399 0.030 . 1 . . . . 63 ALA HB . 11323 1 668 . 1 1 63 63 ALA HB3 H 1 1.399 0.030 . 1 . . . . 63 ALA HB . 11323 1 669 . 1 1 63 63 ALA C C 13 177.994 0.300 . 1 . . . . 63 ALA C . 11323 1 670 . 1 1 63 63 ALA CA C 13 52.826 0.300 . 1 . . . . 63 ALA CA . 11323 1 671 . 1 1 63 63 ALA CB C 13 19.025 0.300 . 1 . . . . 63 ALA CB . 11323 1 672 . 1 1 63 63 ALA N N 15 124.144 0.300 . 1 . . . . 63 ALA N . 11323 1 673 . 1 1 64 64 LYS H H 1 8.191 0.030 . 1 . . . . 64 LYS H . 11323 1 674 . 1 1 64 64 LYS HA H 1 4.340 0.030 . 1 . . . . 64 LYS HA . 11323 1 675 . 1 1 64 64 LYS HB2 H 1 1.762 0.030 . 2 . . . . 64 LYS HB2 . 11323 1 676 . 1 1 64 64 LYS HB3 H 1 1.891 0.030 . 2 . . . . 64 LYS HB3 . 11323 1 677 . 1 1 64 64 LYS HD2 H 1 1.704 0.030 . 1 . . . . 64 LYS HD2 . 11323 1 678 . 1 1 64 64 LYS HD3 H 1 1.704 0.030 . 1 . . . . 64 LYS HD3 . 11323 1 679 . 1 1 64 64 LYS HE2 H 1 2.999 0.030 . 1 . . . . 64 LYS HE2 . 11323 1 680 . 1 1 64 64 LYS HE3 H 1 2.999 0.030 . 1 . . . . 64 LYS HE3 . 11323 1 681 . 1 1 64 64 LYS HG2 H 1 1.435 0.030 . 1 . . . . 64 LYS HG2 . 11323 1 682 . 1 1 64 64 LYS HG3 H 1 1.435 0.030 . 1 . . . . 64 LYS HG3 . 11323 1 683 . 1 1 64 64 LYS C C 13 176.697 0.300 . 1 . . . . 64 LYS C . 11323 1 684 . 1 1 64 64 LYS CA C 13 56.403 0.300 . 1 . . . . 64 LYS CA . 11323 1 685 . 1 1 64 64 LYS CB C 13 32.966 0.300 . 1 . . . . 64 LYS CB . 11323 1 686 . 1 1 64 64 LYS CD C 13 28.970 0.300 . 1 . . . . 64 LYS CD . 11323 1 687 . 1 1 64 64 LYS CE C 13 42.119 0.300 . 1 . . . . 64 LYS CE . 11323 1 688 . 1 1 64 64 LYS CG C 13 24.721 0.300 . 1 . . . . 64 LYS CG . 11323 1 689 . 1 1 64 64 LYS N N 15 120.193 0.300 . 1 . . . . 64 LYS N . 11323 1 690 . 1 1 65 65 SER H H 1 8.241 0.030 . 1 . . . . 65 SER H . 11323 1 691 . 1 1 65 65 SER HA H 1 4.506 0.030 . 1 . . . . 65 SER HA . 11323 1 692 . 1 1 65 65 SER HB2 H 1 3.879 0.030 . 1 . . . . 65 SER HB2 . 11323 1 693 . 1 1 65 65 SER HB3 H 1 3.879 0.030 . 1 . . . . 65 SER HB3 . 11323 1 694 . 1 1 65 65 SER C C 13 174.528 0.300 . 1 . . . . 65 SER C . 11323 1 695 . 1 1 65 65 SER CA C 13 58.340 0.300 . 1 . . . . 65 SER CA . 11323 1 696 . 1 1 65 65 SER CB C 13 64.221 0.300 . 1 . . . . 65 SER CB . 11323 1 697 . 1 1 65 65 SER N N 15 116.554 0.300 . 1 . . . . 65 SER N . 11323 1 698 . 1 1 66 66 GLY H H 1 8.250 0.030 . 1 . . . . 66 GLY H . 11323 1 699 . 1 1 66 66 GLY HA2 H 1 4.134 0.030 . 1 . . . . 66 GLY HA2 . 11323 1 700 . 1 1 66 66 GLY HA3 H 1 4.134 0.030 . 1 . . . . 66 GLY HA3 . 11323 1 701 . 1 1 66 66 GLY C C 13 171.813 0.300 . 1 . . . . 66 GLY C . 11323 1 702 . 1 1 66 66 GLY CA C 13 44.631 0.300 . 1 . . . . 66 GLY CA . 11323 1 703 . 1 1 66 66 GLY N N 15 110.597 0.300 . 1 . . . . 66 GLY N . 11323 1 704 . 1 1 67 67 PRO HA H 1 4.471 0.030 . 1 . . . . 67 PRO HA . 11323 1 705 . 1 1 67 67 PRO HB2 H 1 2.304 0.030 . 2 . . . . 67 PRO HB2 . 11323 1 706 . 1 1 67 67 PRO HB3 H 1 1.985 0.030 . 2 . . . . 67 PRO HB3 . 11323 1 707 . 1 1 67 67 PRO HD2 H 1 3.634 0.030 . 1 . . . . 67 PRO HD2 . 11323 1 708 . 1 1 67 67 PRO HD3 H 1 3.634 0.030 . 1 . . . . 67 PRO HD3 . 11323 1 709 . 1 1 67 67 PRO HG2 H 1 2.012 0.030 . 1 . . . . 67 PRO HG2 . 11323 1 710 . 1 1 67 67 PRO HG3 H 1 2.012 0.030 . 1 . . . . 67 PRO HG3 . 11323 1 711 . 1 1 67 67 PRO C C 13 177.485 0.300 . 1 . . . . 67 PRO C . 11323 1 712 . 1 1 67 67 PRO CA C 13 63.474 0.300 . 1 . . . . 67 PRO CA . 11323 1 713 . 1 1 67 67 PRO CB C 13 32.176 0.300 . 1 . . . . 67 PRO CB . 11323 1 714 . 1 1 67 67 PRO CD C 13 49.768 0.300 . 1 . . . . 67 PRO CD . 11323 1 715 . 1 1 67 67 PRO CG C 13 27.318 0.300 . 1 . . . . 67 PRO CG . 11323 1 716 . 1 1 68 68 SER H H 1 8.522 0.030 . 1 . . . . 68 SER H . 11323 1 717 . 1 1 68 68 SER C C 13 177.485 0.300 . 1 . . . . 68 SER C . 11323 1 718 . 1 1 68 68 SER CA C 13 58.462 0.300 . 1 . . . . 68 SER CA . 11323 1 719 . 1 1 68 68 SER CB C 13 64.116 0.300 . 1 . . . . 68 SER CB . 11323 1 720 . 1 1 68 68 SER N N 15 116.313 0.300 . 1 . . . . 68 SER N . 11323 1 stop_ save_