data_11331 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11331 _Entry.Title ; Solution structure of the B-box domain of the human Midline-2 protein ; _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 . . . 11331 2 T. Kigawa . . . 11331 3 T. Tomizawa . . . 11331 4 S. Koshiba . . . 11331 5 M. Inoue . . . 11331 6 S. Yokoyama . . . 11331 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)' . 11331 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11331 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 329 11331 '15N chemical shifts' 79 11331 '1H chemical shifts' 534 11331 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 . 11331 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DJA 'BMRB Entry Tracking System' 11331 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11331 _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 B-box domain of the human Midline-2 protein' _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 . . . 11331 1 2 T. Kigawa . . . 11331 1 3 T. Tomizawa . . . 11331 1 4 S. Koshiba . . . 11331 1 5 M. Inoue . . . 11331 1 6 S. Yokoyama . . . 11331 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11331 _Assembly.ID 1 _Assembly.Name Midline-2 _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-B box' 1 $entity_1 A . yes native no no . . . 11331 1 2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11331 1 3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11331 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-B box' 1 HIS 24 24 ND1 . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 24 HIS ND1 . . . . ZN 11331 1 2 coordination single . 1 'zf-B box' 1 CYS 21 21 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11331 1 3 coordination single . 1 'zf-B box' 1 CYS 41 41 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 41 CYS SG . . . . ZN 11331 1 4 coordination single . 1 'zf-B box' 1 CYS 44 44 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 44 CYS SG . . . . ZN 11331 1 5 coordination single . 1 'zf-B box' 1 CYS 33 33 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 33 CYS SG . . . . ZN 11331 1 6 coordination single . 1 'zf-B box' 1 ASP 36 36 OD1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 36 ASP OD1 . . . . ZN 11331 1 7 coordination single . 1 'zf-B box' 1 HIS 50 50 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 50 HIS ND1 . . . . ZN 11331 1 8 coordination single . 1 'zf-B box' 1 HIS 53 53 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 53 HIS ND1 . . . . ZN 11331 1 9 coordination single . 1 'zf-B box' 1 ASP 36 36 OD2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 36 ASP OD2 . . . . ZN 11331 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 53 53 HD1 . 53 HIS HD1 11331 1 . . 1 1 ASP 36 36 HD2 . 36 ASP HD2 11331 1 . . 1 1 CYS 33 33 HG . 33 CYS HG 11331 1 . . 1 1 HIS 50 50 HD1 . 50 HIS HD1 11331 1 . . 1 1 CYS 41 41 HG . 41 CYS HG 11331 1 . . 1 1 CYS 44 44 HG . 44 CYS HG 11331 1 . . 1 1 HIS 24 24 HD1 . 24 HIS HD1 11331 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11331 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 2dja . . . . . . 11331 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11331 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'zf-B box' _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 ; GSSGSSGVEPVPDTHLRGIT CLDHENEKVNMYCVSDDQLI CALCKLVGRHRDHQVASLND RFEKLKQTLEMNLTNLVKSG PSSG ; _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 84 _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 2DJA . "Solution Structure Of The B-Box Domain Of The Human Midline- 2 Protein" . . . . . 100.00 84 100.00 100.00 1.05e-53 . . . . 11331 1 2 no EMBL CAB56154 . "midline 2 protein [Homo sapiens]" . . . . . 84.52 715 100.00 100.00 1.11e-40 . . . . 11331 1 3 no EMBL CAB56170 . "midline 2 protein [Mus musculus]" . . . . . 84.52 685 98.59 98.59 1.56e-39 . . . . 11331 1 4 no GB AAF07340 . "RING finger protein [Mus musculus]" . . . . . 84.52 685 98.59 98.59 1.56e-39 . . . . 11331 1 5 no GB AAF07341 . "RING finger protein [Homo sapiens]" . . . . . 84.52 685 100.00 100.00 8.58e-41 . . . . 11331 1 6 no GB AAH17707 . "Midline 2 [Homo sapiens]" . . . . . 84.52 685 100.00 100.00 8.58e-41 . . . . 11331 1 7 no GB AAI40362 . "Midline 2, partial [synthetic construct]" . . . . . 84.52 685 98.59 98.59 1.56e-39 . . . . 11331 1 8 no GB AAI46505 . "Midline 2 [synthetic construct]" . . . . . 84.52 685 98.59 98.59 1.56e-39 . . . . 11331 1 9 no REF NP_001178818 . "probable E3 ubiquitin-protein ligase MID2 [Rattus norvegicus]" . . . . . 84.52 735 98.59 98.59 1.97e-39 . . . . 11331 1 10 no REF NP_035975 . "probable E3 ubiquitin-protein ligase MID2 [Mus musculus]" . . . . . 84.52 685 98.59 98.59 1.56e-39 . . . . 11331 1 11 no REF NP_036348 . "probable E3 ubiquitin-protein ligase MID2 isoform 1 [Homo sapiens]" . . . . . 84.52 735 100.00 100.00 1.23e-40 . . . . 11331 1 12 no REF NP_438112 . "probable E3 ubiquitin-protein ligase MID2 isoform 2 [Homo sapiens]" . . . . . 84.52 705 100.00 100.00 9.16e-41 . . . . 11331 1 13 no REF XP_001091577 . "PREDICTED: midline-2-like [Macaca mulatta]" . . . . . 84.52 572 100.00 100.00 3.31e-41 . . . . 11331 1 14 no SP Q9QUS6 . "RecName: Full=Probable E3 ubiquitin-protein ligase MID2; AltName: Full=Midline defect 2; AltName: Full=Midline-2; AltName: Full" . . . . . 84.52 705 98.59 98.59 1.70e-39 . . . . 11331 1 15 no SP Q9UJV3 . "RecName: Full=Probable E3 ubiquitin-protein ligase MID2; AltName: Full=Midin-2; AltName: Full=Midline defect 2; AltName: Full=M" . . . . . 84.52 735 100.00 100.00 1.23e-40 . . . . 11331 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'zf-B box' . 11331 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 . 11331 1 2 . SER . 11331 1 3 . SER . 11331 1 4 . GLY . 11331 1 5 . SER . 11331 1 6 . SER . 11331 1 7 . GLY . 11331 1 8 . VAL . 11331 1 9 . GLU . 11331 1 10 . PRO . 11331 1 11 . VAL . 11331 1 12 . PRO . 11331 1 13 . ASP . 11331 1 14 . THR . 11331 1 15 . HIS . 11331 1 16 . LEU . 11331 1 17 . ARG . 11331 1 18 . GLY . 11331 1 19 . ILE . 11331 1 20 . THR . 11331 1 21 . CYS . 11331 1 22 . LEU . 11331 1 23 . ASP . 11331 1 24 . HIS . 11331 1 25 . GLU . 11331 1 26 . ASN . 11331 1 27 . GLU . 11331 1 28 . LYS . 11331 1 29 . VAL . 11331 1 30 . ASN . 11331 1 31 . MET . 11331 1 32 . TYR . 11331 1 33 . CYS . 11331 1 34 . VAL . 11331 1 35 . SER . 11331 1 36 . ASP . 11331 1 37 . ASP . 11331 1 38 . GLN . 11331 1 39 . LEU . 11331 1 40 . ILE . 11331 1 41 . CYS . 11331 1 42 . ALA . 11331 1 43 . LEU . 11331 1 44 . CYS . 11331 1 45 . LYS . 11331 1 46 . LEU . 11331 1 47 . VAL . 11331 1 48 . GLY . 11331 1 49 . ARG . 11331 1 50 . HIS . 11331 1 51 . ARG . 11331 1 52 . ASP . 11331 1 53 . HIS . 11331 1 54 . GLN . 11331 1 55 . VAL . 11331 1 56 . ALA . 11331 1 57 . SER . 11331 1 58 . LEU . 11331 1 59 . ASN . 11331 1 60 . ASP . 11331 1 61 . ARG . 11331 1 62 . PHE . 11331 1 63 . GLU . 11331 1 64 . LYS . 11331 1 65 . LEU . 11331 1 66 . LYS . 11331 1 67 . GLN . 11331 1 68 . THR . 11331 1 69 . LEU . 11331 1 70 . GLU . 11331 1 71 . MET . 11331 1 72 . ASN . 11331 1 73 . LEU . 11331 1 74 . THR . 11331 1 75 . ASN . 11331 1 76 . LEU . 11331 1 77 . VAL . 11331 1 78 . LYS . 11331 1 79 . SER . 11331 1 80 . GLY . 11331 1 81 . PRO . 11331 1 82 . SER . 11331 1 83 . SER . 11331 1 84 . GLY . 11331 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 11331 1 . SER 2 2 11331 1 . SER 3 3 11331 1 . GLY 4 4 11331 1 . SER 5 5 11331 1 . SER 6 6 11331 1 . GLY 7 7 11331 1 . VAL 8 8 11331 1 . GLU 9 9 11331 1 . PRO 10 10 11331 1 . VAL 11 11 11331 1 . PRO 12 12 11331 1 . ASP 13 13 11331 1 . THR 14 14 11331 1 . HIS 15 15 11331 1 . LEU 16 16 11331 1 . ARG 17 17 11331 1 . GLY 18 18 11331 1 . ILE 19 19 11331 1 . THR 20 20 11331 1 . CYS 21 21 11331 1 . LEU 22 22 11331 1 . ASP 23 23 11331 1 . HIS 24 24 11331 1 . GLU 25 25 11331 1 . ASN 26 26 11331 1 . GLU 27 27 11331 1 . LYS 28 28 11331 1 . VAL 29 29 11331 1 . ASN 30 30 11331 1 . MET 31 31 11331 1 . TYR 32 32 11331 1 . CYS 33 33 11331 1 . VAL 34 34 11331 1 . SER 35 35 11331 1 . ASP 36 36 11331 1 . ASP 37 37 11331 1 . GLN 38 38 11331 1 . LEU 39 39 11331 1 . ILE 40 40 11331 1 . CYS 41 41 11331 1 . ALA 42 42 11331 1 . LEU 43 43 11331 1 . CYS 44 44 11331 1 . LYS 45 45 11331 1 . LEU 46 46 11331 1 . VAL 47 47 11331 1 . GLY 48 48 11331 1 . ARG 49 49 11331 1 . HIS 50 50 11331 1 . ARG 51 51 11331 1 . ASP 52 52 11331 1 . HIS 53 53 11331 1 . GLN 54 54 11331 1 . VAL 55 55 11331 1 . ALA 56 56 11331 1 . SER 57 57 11331 1 . LEU 58 58 11331 1 . ASN 59 59 11331 1 . ASP 60 60 11331 1 . ARG 61 61 11331 1 . PHE 62 62 11331 1 . GLU 63 63 11331 1 . LYS 64 64 11331 1 . LEU 65 65 11331 1 . LYS 66 66 11331 1 . GLN 67 67 11331 1 . THR 68 68 11331 1 . LEU 69 69 11331 1 . GLU 70 70 11331 1 . MET 71 71 11331 1 . ASN 72 72 11331 1 . LEU 73 73 11331 1 . THR 74 74 11331 1 . ASN 75 75 11331 1 . LEU 76 76 11331 1 . VAL 77 77 11331 1 . LYS 78 78 11331 1 . SER 79 79 11331 1 . GLY 80 80 11331 1 . PRO 81 81 11331 1 . SER 82 82 11331 1 . SER 83 83 11331 1 . GLY 84 84 11331 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11331 _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 . 11331 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 11331 _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 . . . . . . . . . . . . . . . . . . . . . 11331 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 11331 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050302-80 . . . . . . 11331 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 11331 _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 11331 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11331 ZN [Zn++] SMILES CACTVS 3.341 11331 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11331 ZN [Zn+2] SMILES ACDLabs 10.04 11331 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11331 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11331 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 11331 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11331 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 . 11331 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11331 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.92mM zf-B_box {U-13C,15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'zf-B box' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.92 . . mM . . . . 11331 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11331 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11331 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11331 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11331 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11331 1 7 IDA 'natural abundance' . . . . . salt 1.0 . . mM . . . . 11331 1 8 H2O . . . . . . solvent 90 . . % . . . . 11331 1 9 D2O . . . . . . solvent 10 . . % . . . . 11331 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 11331 _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 11331 1 pH 7.0 0.05 pH 11331 1 pressure 1 0.001 atm 11331 1 temperature 296 0.1 K 11331 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11331 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11331 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11331 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11331 _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.' . . 11331 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11331 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11331 _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.' . . 11331 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11331 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11331 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9732 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11331 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11331 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11331 _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.' . . 11331 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11331 5 'structure solution' 11331 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 11331 _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 11331 _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 . . . 11331 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 11331 _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 . . . . . . . . . . . . . . . . 11331 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11331 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 11331 _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 . . . . . . . . . 11331 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11331 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11331 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 11331 _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 11331 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11331 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 . . 11331 1 2 $NMRPipe . . 11331 1 3 $NMRView . . 11331 1 4 $Kujira . . 11331 1 5 $CYANA . . 11331 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 4.473 0.030 . 1 . . . . 6 SER HA . 11331 1 2 . 1 1 6 6 SER HB2 H 1 3.894 0.030 . 1 . . . . 6 SER HB2 . 11331 1 3 . 1 1 6 6 SER HB3 H 1 3.894 0.030 . 1 . . . . 6 SER HB3 . 11331 1 4 . 1 1 6 6 SER C C 13 174.977 0.300 . 1 . . . . 6 SER C . 11331 1 5 . 1 1 6 6 SER CA C 13 58.497 0.300 . 1 . . . . 6 SER CA . 11331 1 6 . 1 1 6 6 SER CB C 13 63.703 0.300 . 1 . . . . 6 SER CB . 11331 1 7 . 1 1 7 7 GLY H H 1 8.411 0.030 . 1 . . . . 7 GLY H . 11331 1 8 . 1 1 7 7 GLY HA2 H 1 3.971 0.030 . 1 . . . . 7 GLY HA2 . 11331 1 9 . 1 1 7 7 GLY HA3 H 1 3.971 0.030 . 1 . . . . 7 GLY HA3 . 11331 1 10 . 1 1 7 7 GLY C C 13 173.844 0.300 . 1 . . . . 7 GLY C . 11331 1 11 . 1 1 7 7 GLY CA C 13 45.268 0.300 . 1 . . . . 7 GLY CA . 11331 1 12 . 1 1 7 7 GLY N N 15 110.913 0.300 . 1 . . . . 7 GLY N . 11331 1 13 . 1 1 8 8 VAL H H 1 7.953 0.030 . 1 . . . . 8 VAL H . 11331 1 14 . 1 1 8 8 VAL HA H 1 4.168 0.030 . 1 . . . . 8 VAL HA . 11331 1 15 . 1 1 8 8 VAL HB H 1 2.062 0.030 . 1 . . . . 8 VAL HB . 11331 1 16 . 1 1 8 8 VAL HG11 H 1 0.900 0.030 . 1 . . . . 8 VAL HG1 . 11331 1 17 . 1 1 8 8 VAL HG12 H 1 0.900 0.030 . 1 . . . . 8 VAL HG1 . 11331 1 18 . 1 1 8 8 VAL HG13 H 1 0.900 0.030 . 1 . . . . 8 VAL HG1 . 11331 1 19 . 1 1 8 8 VAL HG21 H 1 0.885 0.030 . 1 . . . . 8 VAL HG2 . 11331 1 20 . 1 1 8 8 VAL HG22 H 1 0.885 0.030 . 1 . . . . 8 VAL HG2 . 11331 1 21 . 1 1 8 8 VAL HG23 H 1 0.885 0.030 . 1 . . . . 8 VAL HG2 . 11331 1 22 . 1 1 8 8 VAL C C 13 176.043 0.300 . 1 . . . . 8 VAL C . 11331 1 23 . 1 1 8 8 VAL CA C 13 61.763 0.300 . 1 . . . . 8 VAL CA . 11331 1 24 . 1 1 8 8 VAL CB C 13 32.729 0.300 . 1 . . . . 8 VAL CB . 11331 1 25 . 1 1 8 8 VAL CG1 C 13 21.152 0.300 . 2 . . . . 8 VAL CG1 . 11331 1 26 . 1 1 8 8 VAL CG2 C 13 20.409 0.300 . 2 . . . . 8 VAL CG2 . 11331 1 27 . 1 1 8 8 VAL N N 15 118.824 0.300 . 1 . . . . 8 VAL N . 11331 1 28 . 1 1 9 9 GLU H H 1 8.475 0.030 . 1 . . . . 9 GLU H . 11331 1 29 . 1 1 9 9 GLU HA H 1 4.579 0.030 . 1 . . . . 9 GLU HA . 11331 1 30 . 1 1 9 9 GLU HB2 H 1 2.020 0.030 . 2 . . . . 9 GLU HB2 . 11331 1 31 . 1 1 9 9 GLU HB3 H 1 1.880 0.030 . 2 . . . . 9 GLU HB3 . 11331 1 32 . 1 1 9 9 GLU HG2 H 1 2.297 0.030 . 1 . . . . 9 GLU HG2 . 11331 1 33 . 1 1 9 9 GLU HG3 H 1 2.297 0.030 . 1 . . . . 9 GLU HG3 . 11331 1 34 . 1 1 9 9 GLU C C 13 174.435 0.300 . 1 . . . . 9 GLU C . 11331 1 35 . 1 1 9 9 GLU CA C 13 54.336 0.300 . 1 . . . . 9 GLU CA . 11331 1 36 . 1 1 9 9 GLU CB C 13 29.738 0.300 . 1 . . . . 9 GLU CB . 11331 1 37 . 1 1 9 9 GLU CG C 13 35.932 0.300 . 1 . . . . 9 GLU CG . 11331 1 38 . 1 1 9 9 GLU N N 15 126.428 0.300 . 1 . . . . 9 GLU N . 11331 1 39 . 1 1 10 10 PRO HA H 1 4.439 0.030 . 1 . . . . 10 PRO HA . 11331 1 40 . 1 1 10 10 PRO HB2 H 1 2.238 0.030 . 2 . . . . 10 PRO HB2 . 11331 1 41 . 1 1 10 10 PRO HB3 H 1 1.844 0.030 . 2 . . . . 10 PRO HB3 . 11331 1 42 . 1 1 10 10 PRO HD2 H 1 3.831 0.030 . 2 . . . . 10 PRO HD2 . 11331 1 43 . 1 1 10 10 PRO HD3 H 1 3.693 0.030 . 2 . . . . 10 PRO HD3 . 11331 1 44 . 1 1 10 10 PRO HG2 H 1 1.973 0.030 . 1 . . . . 10 PRO HG2 . 11331 1 45 . 1 1 10 10 PRO HG3 H 1 1.973 0.030 . 1 . . . . 10 PRO HG3 . 11331 1 46 . 1 1 10 10 PRO C C 13 176.670 0.300 . 1 . . . . 10 PRO C . 11331 1 47 . 1 1 10 10 PRO CA C 13 63.056 0.300 . 1 . . . . 10 PRO CA . 11331 1 48 . 1 1 10 10 PRO CB C 13 32.048 0.300 . 1 . . . . 10 PRO CB . 11331 1 49 . 1 1 10 10 PRO CD C 13 50.675 0.300 . 1 . . . . 10 PRO CD . 11331 1 50 . 1 1 10 10 PRO CG C 13 27.370 0.300 . 1 . . . . 10 PRO CG . 11331 1 51 . 1 1 11 11 VAL H H 1 8.260 0.030 . 1 . . . . 11 VAL H . 11331 1 52 . 1 1 11 11 VAL HA H 1 4.378 0.030 . 1 . . . . 11 VAL HA . 11331 1 53 . 1 1 11 11 VAL HB H 1 2.057 0.030 . 1 . . . . 11 VAL HB . 11331 1 54 . 1 1 11 11 VAL HG11 H 1 0.959 0.030 . 1 . . . . 11 VAL HG1 . 11331 1 55 . 1 1 11 11 VAL HG12 H 1 0.959 0.030 . 1 . . . . 11 VAL HG1 . 11331 1 56 . 1 1 11 11 VAL HG13 H 1 0.959 0.030 . 1 . . . . 11 VAL HG1 . 11331 1 57 . 1 1 11 11 VAL HG21 H 1 0.980 0.030 . 1 . . . . 11 VAL HG2 . 11331 1 58 . 1 1 11 11 VAL HG22 H 1 0.980 0.030 . 1 . . . . 11 VAL HG2 . 11331 1 59 . 1 1 11 11 VAL HG23 H 1 0.980 0.030 . 1 . . . . 11 VAL HG2 . 11331 1 60 . 1 1 11 11 VAL C C 13 174.948 0.300 . 1 . . . . 11 VAL C . 11331 1 61 . 1 1 11 11 VAL CA C 13 59.892 0.300 . 1 . . . . 11 VAL CA . 11331 1 62 . 1 1 11 11 VAL CB C 13 32.421 0.300 . 1 . . . . 11 VAL CB . 11331 1 63 . 1 1 11 11 VAL CG1 C 13 20.409 0.300 . 2 . . . . 11 VAL CG1 . 11331 1 64 . 1 1 11 11 VAL CG2 C 13 21.152 0.300 . 2 . . . . 11 VAL CG2 . 11331 1 65 . 1 1 11 11 VAL N N 15 121.854 0.300 . 1 . . . . 11 VAL N . 11331 1 66 . 1 1 12 12 PRO HA H 1 4.397 0.030 . 1 . . . . 12 PRO HA . 11331 1 67 . 1 1 12 12 PRO HB2 H 1 2.270 0.030 . 2 . . . . 12 PRO HB2 . 11331 1 68 . 1 1 12 12 PRO HB3 H 1 1.877 0.030 . 2 . . . . 12 PRO HB3 . 11331 1 69 . 1 1 12 12 PRO HD2 H 1 3.839 0.030 . 2 . . . . 12 PRO HD2 . 11331 1 70 . 1 1 12 12 PRO HD3 H 1 3.630 0.030 . 2 . . . . 12 PRO HD3 . 11331 1 71 . 1 1 12 12 PRO HG2 H 1 1.980 0.030 . 1 . . . . 12 PRO HG2 . 11331 1 72 . 1 1 12 12 PRO HG3 H 1 1.980 0.030 . 1 . . . . 12 PRO HG3 . 11331 1 73 . 1 1 12 12 PRO C C 13 176.637 0.300 . 1 . . . . 12 PRO C . 11331 1 74 . 1 1 12 12 PRO CA C 13 63.247 0.300 . 1 . . . . 12 PRO CA . 11331 1 75 . 1 1 12 12 PRO CB C 13 32.193 0.300 . 1 . . . . 12 PRO CB . 11331 1 76 . 1 1 12 12 PRO CD C 13 50.867 0.300 . 1 . . . . 12 PRO CD . 11331 1 77 . 1 1 12 12 PRO CG C 13 27.275 0.300 . 1 . . . . 12 PRO CG . 11331 1 78 . 1 1 13 13 ASP H H 1 8.449 0.030 . 1 . . . . 13 ASP H . 11331 1 79 . 1 1 13 13 ASP HA H 1 4.596 0.030 . 1 . . . . 13 ASP HA . 11331 1 80 . 1 1 13 13 ASP HB2 H 1 2.665 0.030 . 1 . . . . 13 ASP HB2 . 11331 1 81 . 1 1 13 13 ASP HB3 H 1 2.665 0.030 . 1 . . . . 13 ASP HB3 . 11331 1 82 . 1 1 13 13 ASP C C 13 176.983 0.300 . 1 . . . . 13 ASP C . 11331 1 83 . 1 1 13 13 ASP CA C 13 54.591 0.300 . 1 . . . . 13 ASP CA . 11331 1 84 . 1 1 13 13 ASP CB C 13 41.148 0.300 . 1 . . . . 13 ASP CB . 11331 1 85 . 1 1 13 13 ASP N N 15 120.782 0.300 . 1 . . . . 13 ASP N . 11331 1 86 . 1 1 14 14 THR H H 1 8.068 0.030 . 1 . . . . 14 THR H . 11331 1 87 . 1 1 14 14 THR HA H 1 4.165 0.030 . 1 . . . . 14 THR HA . 11331 1 88 . 1 1 14 14 THR HB H 1 4.231 0.030 . 1 . . . . 14 THR HB . 11331 1 89 . 1 1 14 14 THR HG21 H 1 1.163 0.030 . 1 . . . . 14 THR HG2 . 11331 1 90 . 1 1 14 14 THR HG22 H 1 1.163 0.030 . 1 . . . . 14 THR HG2 . 11331 1 91 . 1 1 14 14 THR HG23 H 1 1.163 0.030 . 1 . . . . 14 THR HG2 . 11331 1 92 . 1 1 14 14 THR C C 13 175.063 0.300 . 1 . . . . 14 THR C . 11331 1 93 . 1 1 14 14 THR CA C 13 62.753 0.300 . 1 . . . . 14 THR CA . 11331 1 94 . 1 1 14 14 THR CB C 13 69.342 0.300 . 1 . . . . 14 THR CB . 11331 1 95 . 1 1 14 14 THR CG2 C 13 21.675 0.300 . 1 . . . . 14 THR CG2 . 11331 1 96 . 1 1 14 14 THR N N 15 113.765 0.300 . 1 . . . . 14 THR N . 11331 1 97 . 1 1 15 15 HIS HA H 1 4.568 0.030 . 1 . . . . 15 HIS HA . 11331 1 98 . 1 1 15 15 HIS HB2 H 1 3.116 0.030 . 1 . . . . 15 HIS HB2 . 11331 1 99 . 1 1 15 15 HIS HB3 H 1 3.116 0.030 . 1 . . . . 15 HIS HB3 . 11331 1 100 . 1 1 15 15 HIS HD2 H 1 7.020 0.030 . 1 . . . . 15 HIS HD2 . 11331 1 101 . 1 1 15 15 HIS HE1 H 1 7.932 0.030 . 1 . . . . 15 HIS HE1 . 11331 1 102 . 1 1 15 15 HIS C C 13 175.542 0.300 . 1 . . . . 15 HIS C . 11331 1 103 . 1 1 15 15 HIS CA C 13 56.795 0.300 . 1 . . . . 15 HIS CA . 11331 1 104 . 1 1 15 15 HIS CB C 13 30.202 0.300 . 1 . . . . 15 HIS CB . 11331 1 105 . 1 1 15 15 HIS CD2 C 13 119.836 0.300 . 1 . . . . 15 HIS CD2 . 11331 1 106 . 1 1 15 15 HIS CE1 C 13 138.150 0.300 . 1 . . . . 15 HIS CE1 . 11331 1 107 . 1 1 16 16 LEU H H 1 8.006 0.030 . 1 . . . . 16 LEU H . 11331 1 108 . 1 1 16 16 LEU HA H 1 4.264 0.030 . 1 . . . . 16 LEU HA . 11331 1 109 . 1 1 16 16 LEU HB2 H 1 1.533 0.030 . 2 . . . . 16 LEU HB2 . 11331 1 110 . 1 1 16 16 LEU HB3 H 1 1.625 0.030 . 2 . . . . 16 LEU HB3 . 11331 1 111 . 1 1 16 16 LEU HD11 H 1 0.873 0.030 . 1 . . . . 16 LEU HD1 . 11331 1 112 . 1 1 16 16 LEU HD12 H 1 0.873 0.030 . 1 . . . . 16 LEU HD1 . 11331 1 113 . 1 1 16 16 LEU HD13 H 1 0.873 0.030 . 1 . . . . 16 LEU HD1 . 11331 1 114 . 1 1 16 16 LEU HD21 H 1 0.798 0.030 . 1 . . . . 16 LEU HD2 . 11331 1 115 . 1 1 16 16 LEU HD22 H 1 0.798 0.030 . 1 . . . . 16 LEU HD2 . 11331 1 116 . 1 1 16 16 LEU HD23 H 1 0.798 0.030 . 1 . . . . 16 LEU HD2 . 11331 1 117 . 1 1 16 16 LEU HG H 1 1.376 0.030 . 1 . . . . 16 LEU HG . 11331 1 118 . 1 1 16 16 LEU C C 13 177.184 0.300 . 1 . . . . 16 LEU C . 11331 1 119 . 1 1 16 16 LEU CA C 13 55.182 0.300 . 1 . . . . 16 LEU CA . 11331 1 120 . 1 1 16 16 LEU CB C 13 41.956 0.300 . 1 . . . . 16 LEU CB . 11331 1 121 . 1 1 16 16 LEU CD1 C 13 25.362 0.300 . 2 . . . . 16 LEU CD1 . 11331 1 122 . 1 1 16 16 LEU CD2 C 13 23.629 0.300 . 2 . . . . 16 LEU CD2 . 11331 1 123 . 1 1 16 16 LEU CG C 13 26.808 0.300 . 1 . . . . 16 LEU CG . 11331 1 124 . 1 1 16 16 LEU N N 15 121.719 0.300 . 1 . . . . 16 LEU N . 11331 1 125 . 1 1 17 17 ARG H H 1 8.097 0.030 . 1 . . . . 17 ARG H . 11331 1 126 . 1 1 17 17 ARG HA H 1 4.282 0.030 . 1 . . . . 17 ARG HA . 11331 1 127 . 1 1 17 17 ARG HB2 H 1 1.877 0.030 . 2 . . . . 17 ARG HB2 . 11331 1 128 . 1 1 17 17 ARG HB3 H 1 1.777 0.030 . 2 . . . . 17 ARG HB3 . 11331 1 129 . 1 1 17 17 ARG HD2 H 1 3.182 0.030 . 1 . . . . 17 ARG HD2 . 11331 1 130 . 1 1 17 17 ARG HD3 H 1 3.182 0.030 . 1 . . . . 17 ARG HD3 . 11331 1 131 . 1 1 17 17 ARG HG2 H 1 1.652 0.030 . 2 . . . . 17 ARG HG2 . 11331 1 132 . 1 1 17 17 ARG HG3 H 1 1.613 0.030 . 2 . . . . 17 ARG HG3 . 11331 1 133 . 1 1 17 17 ARG C C 13 176.650 0.300 . 1 . . . . 17 ARG C . 11331 1 134 . 1 1 17 17 ARG CA C 13 56.466 0.300 . 1 . . . . 17 ARG CA . 11331 1 135 . 1 1 17 17 ARG CB C 13 30.709 0.300 . 1 . . . . 17 ARG CB . 11331 1 136 . 1 1 17 17 ARG CD C 13 43.429 0.300 . 1 . . . . 17 ARG CD . 11331 1 137 . 1 1 17 17 ARG CG C 13 27.337 0.300 . 1 . . . . 17 ARG CG . 11331 1 138 . 1 1 17 17 ARG N N 15 120.068 0.300 . 1 . . . . 17 ARG N . 11331 1 139 . 1 1 18 18 GLY H H 1 8.303 0.030 . 1 . . . . 18 GLY H . 11331 1 140 . 1 1 18 18 GLY HA2 H 1 3.986 0.030 . 2 . . . . 18 GLY HA2 . 11331 1 141 . 1 1 18 18 GLY HA3 H 1 3.914 0.030 . 2 . . . . 18 GLY HA3 . 11331 1 142 . 1 1 18 18 GLY C C 13 173.638 0.300 . 1 . . . . 18 GLY C . 11331 1 143 . 1 1 18 18 GLY CA C 13 45.420 0.300 . 1 . . . . 18 GLY CA . 11331 1 144 . 1 1 18 18 GLY N N 15 108.822 0.300 . 1 . . . . 18 GLY N . 11331 1 145 . 1 1 19 19 ILE H H 1 8.016 0.030 . 1 . . . . 19 ILE H . 11331 1 146 . 1 1 19 19 ILE HA H 1 4.263 0.030 . 1 . . . . 19 ILE HA . 11331 1 147 . 1 1 19 19 ILE HB H 1 1.858 0.030 . 1 . . . . 19 ILE HB . 11331 1 148 . 1 1 19 19 ILE HD11 H 1 0.838 0.030 . 1 . . . . 19 ILE HD1 . 11331 1 149 . 1 1 19 19 ILE HD12 H 1 0.838 0.030 . 1 . . . . 19 ILE HD1 . 11331 1 150 . 1 1 19 19 ILE HD13 H 1 0.838 0.030 . 1 . . . . 19 ILE HD1 . 11331 1 151 . 1 1 19 19 ILE HG12 H 1 1.485 0.030 . 2 . . . . 19 ILE HG12 . 11331 1 152 . 1 1 19 19 ILE HG13 H 1 1.140 0.030 . 2 . . . . 19 ILE HG13 . 11331 1 153 . 1 1 19 19 ILE HG21 H 1 0.913 0.030 . 1 . . . . 19 ILE HG2 . 11331 1 154 . 1 1 19 19 ILE HG22 H 1 0.913 0.030 . 1 . . . . 19 ILE HG2 . 11331 1 155 . 1 1 19 19 ILE HG23 H 1 0.913 0.030 . 1 . . . . 19 ILE HG2 . 11331 1 156 . 1 1 19 19 ILE C C 13 175.893 0.300 . 1 . . . . 19 ILE C . 11331 1 157 . 1 1 19 19 ILE CA C 13 61.270 0.300 . 1 . . . . 19 ILE CA . 11331 1 158 . 1 1 19 19 ILE CB C 13 38.776 0.300 . 1 . . . . 19 ILE CB . 11331 1 159 . 1 1 19 19 ILE CD1 C 13 13.270 0.300 . 1 . . . . 19 ILE CD1 . 11331 1 160 . 1 1 19 19 ILE CG1 C 13 27.334 0.300 . 1 . . . . 19 ILE CG1 . 11331 1 161 . 1 1 19 19 ILE CG2 C 13 17.712 0.300 . 1 . . . . 19 ILE CG2 . 11331 1 162 . 1 1 19 19 ILE N N 15 120.655 0.300 . 1 . . . . 19 ILE N . 11331 1 163 . 1 1 20 20 THR H H 1 8.119 0.030 . 1 . . . . 20 THR H . 11331 1 164 . 1 1 20 20 THR HA H 1 4.841 0.030 . 1 . . . . 20 THR HA . 11331 1 165 . 1 1 20 20 THR HB H 1 4.080 0.030 . 1 . . . . 20 THR HB . 11331 1 166 . 1 1 20 20 THR HG21 H 1 1.129 0.030 . 1 . . . . 20 THR HG2 . 11331 1 167 . 1 1 20 20 THR HG22 H 1 1.129 0.030 . 1 . . . . 20 THR HG2 . 11331 1 168 . 1 1 20 20 THR HG23 H 1 1.129 0.030 . 1 . . . . 20 THR HG2 . 11331 1 169 . 1 1 20 20 THR C C 13 174.038 0.300 . 1 . . . . 20 THR C . 11331 1 170 . 1 1 20 20 THR CA C 13 60.608 0.300 . 1 . . . . 20 THR CA . 11331 1 171 . 1 1 20 20 THR CB C 13 70.942 0.300 . 1 . . . . 20 THR CB . 11331 1 172 . 1 1 20 20 THR CG2 C 13 22.196 0.300 . 1 . . . . 20 THR CG2 . 11331 1 173 . 1 1 20 20 THR N N 15 118.063 0.300 . 1 . . . . 20 THR N . 11331 1 174 . 1 1 21 21 CYS H H 1 8.522 0.030 . 1 . . . . 21 CYS H . 11331 1 175 . 1 1 21 21 CYS HA H 1 3.882 0.030 . 1 . . . . 21 CYS HA . 11331 1 176 . 1 1 21 21 CYS HB2 H 1 3.611 0.030 . 2 . . . . 21 CYS HB2 . 11331 1 177 . 1 1 21 21 CYS HB3 H 1 2.709 0.030 . 2 . . . . 21 CYS HB3 . 11331 1 178 . 1 1 21 21 CYS C C 13 175.776 0.300 . 1 . . . . 21 CYS C . 11331 1 179 . 1 1 21 21 CYS CA C 13 60.098 0.300 . 1 . . . . 21 CYS CA . 11331 1 180 . 1 1 21 21 CYS CB C 13 28.909 0.300 . 1 . . . . 21 CYS CB . 11331 1 181 . 1 1 21 21 CYS N N 15 125.646 0.300 . 1 . . . . 21 CYS N . 11331 1 182 . 1 1 22 22 LEU H H 1 8.413 0.030 . 1 . . . . 22 LEU H . 11331 1 183 . 1 1 22 22 LEU HA H 1 4.077 0.030 . 1 . . . . 22 LEU HA . 11331 1 184 . 1 1 22 22 LEU HB2 H 1 1.530 0.030 . 2 . . . . 22 LEU HB2 . 11331 1 185 . 1 1 22 22 LEU HB3 H 1 1.727 0.030 . 2 . . . . 22 LEU HB3 . 11331 1 186 . 1 1 22 22 LEU HD11 H 1 0.944 0.030 . 1 . . . . 22 LEU HD1 . 11331 1 187 . 1 1 22 22 LEU HD12 H 1 0.944 0.030 . 1 . . . . 22 LEU HD1 . 11331 1 188 . 1 1 22 22 LEU HD13 H 1 0.944 0.030 . 1 . . . . 22 LEU HD1 . 11331 1 189 . 1 1 22 22 LEU HD21 H 1 0.884 0.030 . 1 . . . . 22 LEU HD2 . 11331 1 190 . 1 1 22 22 LEU HD22 H 1 0.884 0.030 . 1 . . . . 22 LEU HD2 . 11331 1 191 . 1 1 22 22 LEU HD23 H 1 0.884 0.030 . 1 . . . . 22 LEU HD2 . 11331 1 192 . 1 1 22 22 LEU HG H 1 1.775 0.030 . 1 . . . . 22 LEU HG . 11331 1 193 . 1 1 22 22 LEU C C 13 178.126 0.300 . 1 . . . . 22 LEU C . 11331 1 194 . 1 1 22 22 LEU CA C 13 57.505 0.300 . 1 . . . . 22 LEU CA . 11331 1 195 . 1 1 22 22 LEU CB C 13 42.184 0.300 . 1 . . . . 22 LEU CB . 11331 1 196 . 1 1 22 22 LEU CD1 C 13 24.980 0.300 . 2 . . . . 22 LEU CD1 . 11331 1 197 . 1 1 22 22 LEU CD2 C 13 23.381 0.300 . 2 . . . . 22 LEU CD2 . 11331 1 198 . 1 1 22 22 LEU CG C 13 27.047 0.300 . 1 . . . . 22 LEU CG . 11331 1 199 . 1 1 22 22 LEU N N 15 128.651 0.300 . 1 . . . . 22 LEU N . 11331 1 200 . 1 1 23 23 ASP H H 1 8.636 0.030 . 1 . . . . 23 ASP H . 11331 1 201 . 1 1 23 23 ASP HA H 1 4.532 0.030 . 1 . . . . 23 ASP HA . 11331 1 202 . 1 1 23 23 ASP HB2 H 1 1.958 0.030 . 2 . . . . 23 ASP HB2 . 11331 1 203 . 1 1 23 23 ASP HB3 H 1 2.089 0.030 . 2 . . . . 23 ASP HB3 . 11331 1 204 . 1 1 23 23 ASP C C 13 175.703 0.300 . 1 . . . . 23 ASP C . 11331 1 205 . 1 1 23 23 ASP CA C 13 55.247 0.300 . 1 . . . . 23 ASP CA . 11331 1 206 . 1 1 23 23 ASP CB C 13 42.435 0.300 . 1 . . . . 23 ASP CB . 11331 1 207 . 1 1 23 23 ASP N N 15 120.022 0.300 . 1 . . . . 23 ASP N . 11331 1 208 . 1 1 24 24 HIS H H 1 7.602 0.030 . 1 . . . . 24 HIS H . 11331 1 209 . 1 1 24 24 HIS HA H 1 4.740 0.030 . 1 . . . . 24 HIS HA . 11331 1 210 . 1 1 24 24 HIS HB2 H 1 3.555 0.030 . 2 . . . . 24 HIS HB2 . 11331 1 211 . 1 1 24 24 HIS HB3 H 1 3.079 0.030 . 2 . . . . 24 HIS HB3 . 11331 1 212 . 1 1 24 24 HIS HD2 H 1 7.199 0.030 . 1 . . . . 24 HIS HD2 . 11331 1 213 . 1 1 24 24 HIS HE1 H 1 8.014 0.030 . 1 . . . . 24 HIS HE1 . 11331 1 214 . 1 1 24 24 HIS C C 13 173.812 0.300 . 1 . . . . 24 HIS C . 11331 1 215 . 1 1 24 24 HIS CA C 13 56.568 0.300 . 1 . . . . 24 HIS CA . 11331 1 216 . 1 1 24 24 HIS CB C 13 30.758 0.300 . 1 . . . . 24 HIS CB . 11331 1 217 . 1 1 24 24 HIS CD2 C 13 119.948 0.300 . 1 . . . . 24 HIS CD2 . 11331 1 218 . 1 1 24 24 HIS CE1 C 13 137.164 0.300 . 1 . . . . 24 HIS CE1 . 11331 1 219 . 1 1 24 24 HIS N N 15 122.994 0.300 . 1 . . . . 24 HIS N . 11331 1 220 . 1 1 25 25 GLU H H 1 8.316 0.030 . 1 . . . . 25 GLU H . 11331 1 221 . 1 1 25 25 GLU HA H 1 4.199 0.030 . 1 . . . . 25 GLU HA . 11331 1 222 . 1 1 25 25 GLU HB2 H 1 2.001 0.030 . 1 . . . . 25 GLU HB2 . 11331 1 223 . 1 1 25 25 GLU HB3 H 1 2.001 0.030 . 1 . . . . 25 GLU HB3 . 11331 1 224 . 1 1 25 25 GLU HG2 H 1 2.228 0.030 . 1 . . . . 25 GLU HG2 . 11331 1 225 . 1 1 25 25 GLU HG3 H 1 2.228 0.030 . 1 . . . . 25 GLU HG3 . 11331 1 226 . 1 1 25 25 GLU C C 13 176.714 0.300 . 1 . . . . 25 GLU C . 11331 1 227 . 1 1 25 25 GLU CA C 13 58.791 0.300 . 1 . . . . 25 GLU CA . 11331 1 228 . 1 1 25 25 GLU CB C 13 29.589 0.300 . 1 . . . . 25 GLU CB . 11331 1 229 . 1 1 25 25 GLU CG C 13 35.762 0.300 . 1 . . . . 25 GLU CG . 11331 1 230 . 1 1 25 25 GLU N N 15 119.952 0.300 . 1 . . . . 25 GLU N . 11331 1 231 . 1 1 26 26 ASN H H 1 8.888 0.030 . 1 . . . . 26 ASN H . 11331 1 232 . 1 1 26 26 ASN HA H 1 4.682 0.030 . 1 . . . . 26 ASN HA . 11331 1 233 . 1 1 26 26 ASN HB2 H 1 2.996 0.030 . 2 . . . . 26 ASN HB2 . 11331 1 234 . 1 1 26 26 ASN HB3 H 1 2.899 0.030 . 2 . . . . 26 ASN HB3 . 11331 1 235 . 1 1 26 26 ASN HD21 H 1 7.005 0.030 . 2 . . . . 26 ASN HD21 . 11331 1 236 . 1 1 26 26 ASN HD22 H 1 7.638 0.030 . 2 . . . . 26 ASN HD22 . 11331 1 237 . 1 1 26 26 ASN C C 13 174.887 0.300 . 1 . . . . 26 ASN C . 11331 1 238 . 1 1 26 26 ASN CA C 13 53.837 0.300 . 1 . . . . 26 ASN CA . 11331 1 239 . 1 1 26 26 ASN CB C 13 38.830 0.300 . 1 . . . . 26 ASN CB . 11331 1 240 . 1 1 26 26 ASN N N 15 115.880 0.300 . 1 . . . . 26 ASN N . 11331 1 241 . 1 1 26 26 ASN ND2 N 15 114.172 0.300 . 1 . . . . 26 ASN ND2 . 11331 1 242 . 1 1 27 27 GLU H H 1 8.340 0.030 . 1 . . . . 27 GLU H . 11331 1 243 . 1 1 27 27 GLU HA H 1 4.522 0.030 . 1 . . . . 27 GLU HA . 11331 1 244 . 1 1 27 27 GLU HB2 H 1 2.322 0.030 . 2 . . . . 27 GLU HB2 . 11331 1 245 . 1 1 27 27 GLU HB3 H 1 2.125 0.030 . 2 . . . . 27 GLU HB3 . 11331 1 246 . 1 1 27 27 GLU HG2 H 1 2.561 0.030 . 2 . . . . 27 GLU HG2 . 11331 1 247 . 1 1 27 27 GLU HG3 H 1 2.227 0.030 . 2 . . . . 27 GLU HG3 . 11331 1 248 . 1 1 27 27 GLU C C 13 176.045 0.300 . 1 . . . . 27 GLU C . 11331 1 249 . 1 1 27 27 GLU CA C 13 54.920 0.300 . 1 . . . . 27 GLU CA . 11331 1 250 . 1 1 27 27 GLU CB C 13 32.295 0.300 . 1 . . . . 27 GLU CB . 11331 1 251 . 1 1 27 27 GLU CG C 13 35.869 0.300 . 1 . . . . 27 GLU CG . 11331 1 252 . 1 1 27 27 GLU N N 15 120.479 0.300 . 1 . . . . 27 GLU N . 11331 1 253 . 1 1 28 28 LYS H H 1 8.642 0.030 . 1 . . . . 28 LYS H . 11331 1 254 . 1 1 28 28 LYS HA H 1 4.551 0.030 . 1 . . . . 28 LYS HA . 11331 1 255 . 1 1 28 28 LYS HB2 H 1 1.826 0.030 . 2 . . . . 28 LYS HB2 . 11331 1 256 . 1 1 28 28 LYS HB3 H 1 1.749 0.030 . 2 . . . . 28 LYS HB3 . 11331 1 257 . 1 1 28 28 LYS HD2 H 1 1.628 0.030 . 2 . . . . 28 LYS HD2 . 11331 1 258 . 1 1 28 28 LYS HD3 H 1 1.562 0.030 . 2 . . . . 28 LYS HD3 . 11331 1 259 . 1 1 28 28 LYS HE2 H 1 2.978 0.030 . 1 . . . . 28 LYS HE2 . 11331 1 260 . 1 1 28 28 LYS HE3 H 1 2.978 0.030 . 1 . . . . 28 LYS HE3 . 11331 1 261 . 1 1 28 28 LYS HG2 H 1 1.522 0.030 . 2 . . . . 28 LYS HG2 . 11331 1 262 . 1 1 28 28 LYS HG3 H 1 1.423 0.030 . 2 . . . . 28 LYS HG3 . 11331 1 263 . 1 1 28 28 LYS C C 13 177.403 0.300 . 1 . . . . 28 LYS C . 11331 1 264 . 1 1 28 28 LYS CA C 13 55.325 0.300 . 1 . . . . 28 LYS CA . 11331 1 265 . 1 1 28 28 LYS CB C 13 32.858 0.300 . 1 . . . . 28 LYS CB . 11331 1 266 . 1 1 28 28 LYS CD C 13 28.829 0.300 . 1 . . . . 28 LYS CD . 11331 1 267 . 1 1 28 28 LYS CE C 13 42.448 0.300 . 1 . . . . 28 LYS CE . 11331 1 268 . 1 1 28 28 LYS CG C 13 25.042 0.300 . 1 . . . . 28 LYS CG . 11331 1 269 . 1 1 28 28 LYS N N 15 121.490 0.300 . 1 . . . . 28 LYS N . 11331 1 270 . 1 1 29 29 VAL H H 1 8.171 0.030 . 1 . . . . 29 VAL H . 11331 1 271 . 1 1 29 29 VAL HA H 1 3.790 0.030 . 1 . . . . 29 VAL HA . 11331 1 272 . 1 1 29 29 VAL HB H 1 2.062 0.030 . 1 . . . . 29 VAL HB . 11331 1 273 . 1 1 29 29 VAL HG11 H 1 0.755 0.030 . 1 . . . . 29 VAL HG1 . 11331 1 274 . 1 1 29 29 VAL HG12 H 1 0.755 0.030 . 1 . . . . 29 VAL HG1 . 11331 1 275 . 1 1 29 29 VAL HG13 H 1 0.755 0.030 . 1 . . . . 29 VAL HG1 . 11331 1 276 . 1 1 29 29 VAL HG21 H 1 0.892 0.030 . 1 . . . . 29 VAL HG2 . 11331 1 277 . 1 1 29 29 VAL HG22 H 1 0.892 0.030 . 1 . . . . 29 VAL HG2 . 11331 1 278 . 1 1 29 29 VAL HG23 H 1 0.892 0.030 . 1 . . . . 29 VAL HG2 . 11331 1 279 . 1 1 29 29 VAL C C 13 175.814 0.300 . 1 . . . . 29 VAL C . 11331 1 280 . 1 1 29 29 VAL CA C 13 62.579 0.300 . 1 . . . . 29 VAL CA . 11331 1 281 . 1 1 29 29 VAL CB C 13 31.553 0.300 . 1 . . . . 29 VAL CB . 11331 1 282 . 1 1 29 29 VAL CG1 C 13 21.896 0.300 . 2 . . . . 29 VAL CG1 . 11331 1 283 . 1 1 29 29 VAL CG2 C 13 19.168 0.300 . 2 . . . . 29 VAL CG2 . 11331 1 284 . 1 1 29 29 VAL N N 15 116.876 0.300 . 1 . . . . 29 VAL N . 11331 1 285 . 1 1 30 30 ASN H H 1 8.629 0.030 . 1 . . . . 30 ASN H . 11331 1 286 . 1 1 30 30 ASN HA H 1 4.765 0.030 . 1 . . . . 30 ASN HA . 11331 1 287 . 1 1 30 30 ASN HB2 H 1 2.646 0.030 . 2 . . . . 30 ASN HB2 . 11331 1 288 . 1 1 30 30 ASN HB3 H 1 3.088 0.030 . 2 . . . . 30 ASN HB3 . 11331 1 289 . 1 1 30 30 ASN HD21 H 1 6.305 0.030 . 2 . . . . 30 ASN HD21 . 11331 1 290 . 1 1 30 30 ASN HD22 H 1 7.301 0.030 . 2 . . . . 30 ASN HD22 . 11331 1 291 . 1 1 30 30 ASN C C 13 174.177 0.300 . 1 . . . . 30 ASN C . 11331 1 292 . 1 1 30 30 ASN CA C 13 52.967 0.300 . 1 . . . . 30 ASN CA . 11331 1 293 . 1 1 30 30 ASN CB C 13 39.907 0.300 . 1 . . . . 30 ASN CB . 11331 1 294 . 1 1 30 30 ASN N N 15 120.051 0.300 . 1 . . . . 30 ASN N . 11331 1 295 . 1 1 30 30 ASN ND2 N 15 108.085 0.300 . 1 . . . . 30 ASN ND2 . 11331 1 296 . 1 1 31 31 MET H H 1 8.443 0.030 . 1 . . . . 31 MET H . 11331 1 297 . 1 1 31 31 MET HA H 1 4.834 0.030 . 1 . . . . 31 MET HA . 11331 1 298 . 1 1 31 31 MET HB2 H 1 1.910 0.030 . 2 . . . . 31 MET HB2 . 11331 1 299 . 1 1 31 31 MET HB3 H 1 1.781 0.030 . 2 . . . . 31 MET HB3 . 11331 1 300 . 1 1 31 31 MET HE1 H 1 1.948 0.030 . 1 . . . . 31 MET HE . 11331 1 301 . 1 1 31 31 MET HE2 H 1 1.948 0.030 . 1 . . . . 31 MET HE . 11331 1 302 . 1 1 31 31 MET HE3 H 1 1.948 0.030 . 1 . . . . 31 MET HE . 11331 1 303 . 1 1 31 31 MET HG2 H 1 2.361 0.030 . 1 . . . . 31 MET HG2 . 11331 1 304 . 1 1 31 31 MET HG3 H 1 2.361 0.030 . 1 . . . . 31 MET HG3 . 11331 1 305 . 1 1 31 31 MET C C 13 172.225 0.300 . 1 . . . . 31 MET C . 11331 1 306 . 1 1 31 31 MET CA C 13 54.973 0.300 . 1 . . . . 31 MET CA . 11331 1 307 . 1 1 31 31 MET CB C 13 38.230 0.300 . 1 . . . . 31 MET CB . 11331 1 308 . 1 1 31 31 MET CE C 13 17.638 0.300 . 1 . . . . 31 MET CE . 11331 1 309 . 1 1 31 31 MET CG C 13 32.552 0.300 . 1 . . . . 31 MET CG . 11331 1 310 . 1 1 31 31 MET N N 15 119.571 0.300 . 1 . . . . 31 MET N . 11331 1 311 . 1 1 32 32 TYR H H 1 9.067 0.030 . 1 . . . . 32 TYR H . 11331 1 312 . 1 1 32 32 TYR HA H 1 4.915 0.030 . 1 . . . . 32 TYR HA . 11331 1 313 . 1 1 32 32 TYR HB2 H 1 2.633 0.030 . 2 . . . . 32 TYR HB2 . 11331 1 314 . 1 1 32 32 TYR HB3 H 1 2.571 0.030 . 2 . . . . 32 TYR HB3 . 11331 1 315 . 1 1 32 32 TYR HD1 H 1 6.689 0.030 . 1 . . . . 32 TYR HD1 . 11331 1 316 . 1 1 32 32 TYR HD2 H 1 6.689 0.030 . 1 . . . . 32 TYR HD2 . 11331 1 317 . 1 1 32 32 TYR HE1 H 1 6.678 0.030 . 1 . . . . 32 TYR HE1 . 11331 1 318 . 1 1 32 32 TYR HE2 H 1 6.678 0.030 . 1 . . . . 32 TYR HE2 . 11331 1 319 . 1 1 32 32 TYR C C 13 173.265 0.300 . 1 . . . . 32 TYR C . 11331 1 320 . 1 1 32 32 TYR CA C 13 55.863 0.300 . 1 . . . . 32 TYR CA . 11331 1 321 . 1 1 32 32 TYR CB C 13 41.854 0.300 . 1 . . . . 32 TYR CB . 11331 1 322 . 1 1 32 32 TYR CD1 C 13 132.753 0.300 . 1 . . . . 32 TYR CD1 . 11331 1 323 . 1 1 32 32 TYR CD2 C 13 132.753 0.300 . 1 . . . . 32 TYR CD2 . 11331 1 324 . 1 1 32 32 TYR CE1 C 13 117.974 0.300 . 1 . . . . 32 TYR CE1 . 11331 1 325 . 1 1 32 32 TYR CE2 C 13 117.974 0.300 . 1 . . . . 32 TYR CE2 . 11331 1 326 . 1 1 32 32 TYR N N 15 121.192 0.300 . 1 . . . . 32 TYR N . 11331 1 327 . 1 1 33 33 CYS H H 1 9.140 0.030 . 1 . . . . 33 CYS H . 11331 1 328 . 1 1 33 33 CYS HA H 1 4.666 0.030 . 1 . . . . 33 CYS HA . 11331 1 329 . 1 1 33 33 CYS HB2 H 1 3.043 0.030 . 2 . . . . 33 CYS HB2 . 11331 1 330 . 1 1 33 33 CYS HB3 H 1 2.365 0.030 . 2 . . . . 33 CYS HB3 . 11331 1 331 . 1 1 33 33 CYS C C 13 175.294 0.300 . 1 . . . . 33 CYS C . 11331 1 332 . 1 1 33 33 CYS CA C 13 59.144 0.300 . 1 . . . . 33 CYS CA . 11331 1 333 . 1 1 33 33 CYS CB C 13 28.772 0.300 . 1 . . . . 33 CYS CB . 11331 1 334 . 1 1 33 33 CYS N N 15 129.096 0.300 . 1 . . . . 33 CYS N . 11331 1 335 . 1 1 34 34 VAL H H 1 8.876 0.030 . 1 . . . . 34 VAL H . 11331 1 336 . 1 1 34 34 VAL HA H 1 3.464 0.030 . 1 . . . . 34 VAL HA . 11331 1 337 . 1 1 34 34 VAL HB H 1 1.800 0.030 . 1 . . . . 34 VAL HB . 11331 1 338 . 1 1 34 34 VAL HG11 H 1 0.947 0.030 . 1 . . . . 34 VAL HG1 . 11331 1 339 . 1 1 34 34 VAL HG12 H 1 0.947 0.030 . 1 . . . . 34 VAL HG1 . 11331 1 340 . 1 1 34 34 VAL HG13 H 1 0.947 0.030 . 1 . . . . 34 VAL HG1 . 11331 1 341 . 1 1 34 34 VAL HG21 H 1 0.988 0.030 . 1 . . . . 34 VAL HG2 . 11331 1 342 . 1 1 34 34 VAL HG22 H 1 0.988 0.030 . 1 . . . . 34 VAL HG2 . 11331 1 343 . 1 1 34 34 VAL HG23 H 1 0.988 0.030 . 1 . . . . 34 VAL HG2 . 11331 1 344 . 1 1 34 34 VAL C C 13 178.462 0.300 . 1 . . . . 34 VAL C . 11331 1 345 . 1 1 34 34 VAL CA C 13 64.625 0.300 . 1 . . . . 34 VAL CA . 11331 1 346 . 1 1 34 34 VAL CB C 13 32.439 0.300 . 1 . . . . 34 VAL CB . 11331 1 347 . 1 1 34 34 VAL CG1 C 13 21.157 0.300 . 2 . . . . 34 VAL CG1 . 11331 1 348 . 1 1 34 34 VAL CG2 C 13 22.096 0.300 . 2 . . . . 34 VAL CG2 . 11331 1 349 . 1 1 34 34 VAL N N 15 130.438 0.300 . 1 . . . . 34 VAL N . 11331 1 350 . 1 1 35 35 SER H H 1 7.908 0.030 . 1 . . . . 35 SER H . 11331 1 351 . 1 1 35 35 SER HA H 1 4.135 0.030 . 1 . . . . 35 SER HA . 11331 1 352 . 1 1 35 35 SER HB2 H 1 3.580 0.030 . 2 . . . . 35 SER HB2 . 11331 1 353 . 1 1 35 35 SER HB3 H 1 3.378 0.030 . 2 . . . . 35 SER HB3 . 11331 1 354 . 1 1 35 35 SER C C 13 174.980 0.300 . 1 . . . . 35 SER C . 11331 1 355 . 1 1 35 35 SER CA C 13 62.258 0.300 . 1 . . . . 35 SER CA . 11331 1 356 . 1 1 35 35 SER CB C 13 62.690 0.300 . 1 . . . . 35 SER CB . 11331 1 357 . 1 1 35 35 SER N N 15 114.900 0.300 . 1 . . . . 35 SER N . 11331 1 358 . 1 1 36 36 ASP H H 1 7.828 0.030 . 1 . . . . 36 ASP H . 11331 1 359 . 1 1 36 36 ASP HA H 1 4.798 0.030 . 1 . . . . 36 ASP HA . 11331 1 360 . 1 1 36 36 ASP HB2 H 1 2.811 0.030 . 1 . . . . 36 ASP HB2 . 11331 1 361 . 1 1 36 36 ASP HB3 H 1 2.811 0.030 . 1 . . . . 36 ASP HB3 . 11331 1 362 . 1 1 36 36 ASP C C 13 174.641 0.300 . 1 . . . . 36 ASP C . 11331 1 363 . 1 1 36 36 ASP CA C 13 54.648 0.300 . 1 . . . . 36 ASP CA . 11331 1 364 . 1 1 36 36 ASP CB C 13 42.444 0.300 . 1 . . . . 36 ASP CB . 11331 1 365 . 1 1 36 36 ASP N N 15 116.833 0.300 . 1 . . . . 36 ASP N . 11331 1 366 . 1 1 37 37 ASP H H 1 7.975 0.030 . 1 . . . . 37 ASP H . 11331 1 367 . 1 1 37 37 ASP HA H 1 4.169 0.030 . 1 . . . . 37 ASP HA . 11331 1 368 . 1 1 37 37 ASP HB2 H 1 2.538 0.030 . 2 . . . . 37 ASP HB2 . 11331 1 369 . 1 1 37 37 ASP HB3 H 1 3.201 0.030 . 2 . . . . 37 ASP HB3 . 11331 1 370 . 1 1 37 37 ASP C C 13 174.063 0.300 . 1 . . . . 37 ASP C . 11331 1 371 . 1 1 37 37 ASP CA C 13 55.230 0.300 . 1 . . . . 37 ASP CA . 11331 1 372 . 1 1 37 37 ASP CB C 13 39.432 0.300 . 1 . . . . 37 ASP CB . 11331 1 373 . 1 1 37 37 ASP N N 15 120.149 0.300 . 1 . . . . 37 ASP N . 11331 1 374 . 1 1 38 38 GLN H H 1 7.224 0.030 . 1 . . . . 38 GLN H . 11331 1 375 . 1 1 38 38 GLN HA H 1 4.664 0.030 . 1 . . . . 38 GLN HA . 11331 1 376 . 1 1 38 38 GLN HB2 H 1 2.307 0.030 . 2 . . . . 38 GLN HB2 . 11331 1 377 . 1 1 38 38 GLN HB3 H 1 1.727 0.030 . 2 . . . . 38 GLN HB3 . 11331 1 378 . 1 1 38 38 GLN HE21 H 1 6.863 0.030 . 2 . . . . 38 GLN HE21 . 11331 1 379 . 1 1 38 38 GLN HE22 H 1 7.320 0.030 . 2 . . . . 38 GLN HE22 . 11331 1 380 . 1 1 38 38 GLN HG2 H 1 2.298 0.030 . 1 . . . . 38 GLN HG2 . 11331 1 381 . 1 1 38 38 GLN HG3 H 1 2.298 0.030 . 1 . . . . 38 GLN HG3 . 11331 1 382 . 1 1 38 38 GLN C C 13 174.478 0.300 . 1 . . . . 38 GLN C . 11331 1 383 . 1 1 38 38 GLN CA C 13 54.181 0.300 . 1 . . . . 38 GLN CA . 11331 1 384 . 1 1 38 38 GLN CB C 13 33.511 0.300 . 1 . . . . 38 GLN CB . 11331 1 385 . 1 1 38 38 GLN CG C 13 33.478 0.300 . 1 . . . . 38 GLN CG . 11331 1 386 . 1 1 38 38 GLN N N 15 115.100 0.300 . 1 . . . . 38 GLN N . 11331 1 387 . 1 1 38 38 GLN NE2 N 15 111.058 0.300 . 1 . . . . 38 GLN NE2 . 11331 1 388 . 1 1 39 39 LEU H H 1 8.762 0.030 . 1 . . . . 39 LEU H . 11331 1 389 . 1 1 39 39 LEU HA H 1 4.881 0.030 . 1 . . . . 39 LEU HA . 11331 1 390 . 1 1 39 39 LEU HB2 H 1 1.915 0.030 . 2 . . . . 39 LEU HB2 . 11331 1 391 . 1 1 39 39 LEU HB3 H 1 1.329 0.030 . 2 . . . . 39 LEU HB3 . 11331 1 392 . 1 1 39 39 LEU HD11 H 1 0.974 0.030 . 1 . . . . 39 LEU HD1 . 11331 1 393 . 1 1 39 39 LEU HD12 H 1 0.974 0.030 . 1 . . . . 39 LEU HD1 . 11331 1 394 . 1 1 39 39 LEU HD13 H 1 0.974 0.030 . 1 . . . . 39 LEU HD1 . 11331 1 395 . 1 1 39 39 LEU HD21 H 1 0.908 0.030 . 1 . . . . 39 LEU HD2 . 11331 1 396 . 1 1 39 39 LEU HD22 H 1 0.908 0.030 . 1 . . . . 39 LEU HD2 . 11331 1 397 . 1 1 39 39 LEU HD23 H 1 0.908 0.030 . 1 . . . . 39 LEU HD2 . 11331 1 398 . 1 1 39 39 LEU HG H 1 1.865 0.030 . 1 . . . . 39 LEU HG . 11331 1 399 . 1 1 39 39 LEU C C 13 176.550 0.300 . 1 . . . . 39 LEU C . 11331 1 400 . 1 1 39 39 LEU CA C 13 55.021 0.300 . 1 . . . . 39 LEU CA . 11331 1 401 . 1 1 39 39 LEU CB C 13 41.767 0.300 . 1 . . . . 39 LEU CB . 11331 1 402 . 1 1 39 39 LEU CD1 C 13 26.088 0.300 . 2 . . . . 39 LEU CD1 . 11331 1 403 . 1 1 39 39 LEU CD2 C 13 24.133 0.300 . 2 . . . . 39 LEU CD2 . 11331 1 404 . 1 1 39 39 LEU CG C 13 27.343 0.300 . 1 . . . . 39 LEU CG . 11331 1 405 . 1 1 39 39 LEU N N 15 124.658 0.300 . 1 . . . . 39 LEU N . 11331 1 406 . 1 1 40 40 ILE H H 1 8.592 0.030 . 1 . . . . 40 ILE H . 11331 1 407 . 1 1 40 40 ILE HA H 1 4.892 0.030 . 1 . . . . 40 ILE HA . 11331 1 408 . 1 1 40 40 ILE HB H 1 2.010 0.030 . 1 . . . . 40 ILE HB . 11331 1 409 . 1 1 40 40 ILE HD11 H 1 0.538 0.030 . 1 . . . . 40 ILE HD1 . 11331 1 410 . 1 1 40 40 ILE HD12 H 1 0.538 0.030 . 1 . . . . 40 ILE HD1 . 11331 1 411 . 1 1 40 40 ILE HD13 H 1 0.538 0.030 . 1 . . . . 40 ILE HD1 . 11331 1 412 . 1 1 40 40 ILE HG12 H 1 1.164 0.030 . 2 . . . . 40 ILE HG12 . 11331 1 413 . 1 1 40 40 ILE HG13 H 1 0.542 0.030 . 2 . . . . 40 ILE HG13 . 11331 1 414 . 1 1 40 40 ILE HG21 H 1 -0.023 0.030 . 1 . . . . 40 ILE HG2 . 11331 1 415 . 1 1 40 40 ILE HG22 H 1 -0.023 0.030 . 1 . . . . 40 ILE HG2 . 11331 1 416 . 1 1 40 40 ILE HG23 H 1 -0.023 0.030 . 1 . . . . 40 ILE HG2 . 11331 1 417 . 1 1 40 40 ILE C C 13 173.717 0.300 . 1 . . . . 40 ILE C . 11331 1 418 . 1 1 40 40 ILE CA C 13 60.159 0.300 . 1 . . . . 40 ILE CA . 11331 1 419 . 1 1 40 40 ILE CB C 13 42.373 0.300 . 1 . . . . 40 ILE CB . 11331 1 420 . 1 1 40 40 ILE CD1 C 13 14.687 0.300 . 1 . . . . 40 ILE CD1 . 11331 1 421 . 1 1 40 40 ILE CG1 C 13 25.610 0.300 . 1 . . . . 40 ILE CG1 . 11331 1 422 . 1 1 40 40 ILE CG2 C 13 16.159 0.300 . 1 . . . . 40 ILE CG2 . 11331 1 423 . 1 1 40 40 ILE N N 15 115.602 0.300 . 1 . . . . 40 ILE N . 11331 1 424 . 1 1 41 41 CYS H H 1 8.101 0.030 . 1 . . . . 41 CYS H . 11331 1 425 . 1 1 41 41 CYS HA H 1 5.489 0.030 . 1 . . . . 41 CYS HA . 11331 1 426 . 1 1 41 41 CYS HB2 H 1 3.607 0.030 . 2 . . . . 41 CYS HB2 . 11331 1 427 . 1 1 41 41 CYS HB3 H 1 2.588 0.030 . 2 . . . . 41 CYS HB3 . 11331 1 428 . 1 1 41 41 CYS C C 13 175.957 0.300 . 1 . . . . 41 CYS C . 11331 1 429 . 1 1 41 41 CYS CA C 13 56.623 0.300 . 1 . . . . 41 CYS CA . 11331 1 430 . 1 1 41 41 CYS CB C 13 35.033 0.300 . 1 . . . . 41 CYS CB . 11331 1 431 . 1 1 41 41 CYS N N 15 119.004 0.300 . 1 . . . . 41 CYS N . 11331 1 432 . 1 1 42 42 ALA H H 1 8.661 0.030 . 1 . . . . 42 ALA H . 11331 1 433 . 1 1 42 42 ALA HA H 1 4.054 0.030 . 1 . . . . 42 ALA HA . 11331 1 434 . 1 1 42 42 ALA HB1 H 1 1.421 0.030 . 1 . . . . 42 ALA HB . 11331 1 435 . 1 1 42 42 ALA HB2 H 1 1.421 0.030 . 1 . . . . 42 ALA HB . 11331 1 436 . 1 1 42 42 ALA HB3 H 1 1.421 0.030 . 1 . . . . 42 ALA HB . 11331 1 437 . 1 1 42 42 ALA C C 13 181.314 0.300 . 1 . . . . 42 ALA C . 11331 1 438 . 1 1 42 42 ALA CA C 13 55.512 0.300 . 1 . . . . 42 ALA CA . 11331 1 439 . 1 1 42 42 ALA CB C 13 19.014 0.300 . 1 . . . . 42 ALA CB . 11331 1 440 . 1 1 42 42 ALA N N 15 119.446 0.300 . 1 . . . . 42 ALA N . 11331 1 441 . 1 1 43 43 LEU H H 1 8.701 0.030 . 1 . . . . 43 LEU H . 11331 1 442 . 1 1 43 43 LEU HA H 1 3.900 0.030 . 1 . . . . 43 LEU HA . 11331 1 443 . 1 1 43 43 LEU HB2 H 1 0.749 0.030 . 2 . . . . 43 LEU HB2 . 11331 1 444 . 1 1 43 43 LEU HB3 H 1 0.477 0.030 . 2 . . . . 43 LEU HB3 . 11331 1 445 . 1 1 43 43 LEU HD11 H 1 0.729 0.030 . 1 . . . . 43 LEU HD1 . 11331 1 446 . 1 1 43 43 LEU HD12 H 1 0.729 0.030 . 1 . . . . 43 LEU HD1 . 11331 1 447 . 1 1 43 43 LEU HD13 H 1 0.729 0.030 . 1 . . . . 43 LEU HD1 . 11331 1 448 . 1 1 43 43 LEU HD21 H 1 0.690 0.030 . 1 . . . . 43 LEU HD2 . 11331 1 449 . 1 1 43 43 LEU HD22 H 1 0.690 0.030 . 1 . . . . 43 LEU HD2 . 11331 1 450 . 1 1 43 43 LEU HD23 H 1 0.690 0.030 . 1 . . . . 43 LEU HD2 . 11331 1 451 . 1 1 43 43 LEU HG H 1 1.513 0.030 . 1 . . . . 43 LEU HG . 11331 1 452 . 1 1 43 43 LEU C C 13 179.670 0.300 . 1 . . . . 43 LEU C . 11331 1 453 . 1 1 43 43 LEU CA C 13 58.049 0.300 . 1 . . . . 43 LEU CA . 11331 1 454 . 1 1 43 43 LEU CB C 13 39.953 0.300 . 1 . . . . 43 LEU CB . 11331 1 455 . 1 1 43 43 LEU CD1 C 13 25.412 0.300 . 2 . . . . 43 LEU CD1 . 11331 1 456 . 1 1 43 43 LEU CD2 C 13 22.359 0.300 . 2 . . . . 43 LEU CD2 . 11331 1 457 . 1 1 43 43 LEU CG C 13 27.095 0.300 . 1 . . . . 43 LEU CG . 11331 1 458 . 1 1 43 43 LEU N N 15 120.250 0.300 . 1 . . . . 43 LEU N . 11331 1 459 . 1 1 44 44 CYS H H 1 8.180 0.030 . 1 . . . . 44 CYS H . 11331 1 460 . 1 1 44 44 CYS HA H 1 4.030 0.030 . 1 . . . . 44 CYS HA . 11331 1 461 . 1 1 44 44 CYS HB2 H 1 2.644 0.030 . 2 . . . . 44 CYS HB2 . 11331 1 462 . 1 1 44 44 CYS HB3 H 1 3.895 0.030 . 2 . . . . 44 CYS HB3 . 11331 1 463 . 1 1 44 44 CYS C C 13 176.160 0.300 . 1 . . . . 44 CYS C . 11331 1 464 . 1 1 44 44 CYS CA C 13 66.208 0.300 . 1 . . . . 44 CYS CA . 11331 1 465 . 1 1 44 44 CYS CB C 13 31.335 0.300 . 1 . . . . 44 CYS CB . 11331 1 466 . 1 1 44 44 CYS N N 15 123.872 0.300 . 1 . . . . 44 CYS N . 11331 1 467 . 1 1 45 45 LYS H H 1 6.676 0.030 . 1 . . . . 45 LYS H . 11331 1 468 . 1 1 45 45 LYS HA H 1 3.994 0.030 . 1 . . . . 45 LYS HA . 11331 1 469 . 1 1 45 45 LYS HB2 H 1 1.538 0.030 . 2 . . . . 45 LYS HB2 . 11331 1 470 . 1 1 45 45 LYS HB3 H 1 1.888 0.030 . 2 . . . . 45 LYS HB3 . 11331 1 471 . 1 1 45 45 LYS HD2 H 1 1.492 0.030 . 2 . . . . 45 LYS HD2 . 11331 1 472 . 1 1 45 45 LYS HD3 H 1 2.101 0.030 . 2 . . . . 45 LYS HD3 . 11331 1 473 . 1 1 45 45 LYS HE2 H 1 3.077 0.030 . 2 . . . . 45 LYS HE2 . 11331 1 474 . 1 1 45 45 LYS HE3 H 1 2.971 0.030 . 2 . . . . 45 LYS HE3 . 11331 1 475 . 1 1 45 45 LYS HG2 H 1 1.402 0.030 . 1 . . . . 45 LYS HG2 . 11331 1 476 . 1 1 45 45 LYS HG3 H 1 1.402 0.030 . 1 . . . . 45 LYS HG3 . 11331 1 477 . 1 1 45 45 LYS C C 13 175.071 0.300 . 1 . . . . 45 LYS C . 11331 1 478 . 1 1 45 45 LYS CA C 13 55.463 0.300 . 1 . . . . 45 LYS CA . 11331 1 479 . 1 1 45 45 LYS CB C 13 33.820 0.300 . 1 . . . . 45 LYS CB . 11331 1 480 . 1 1 45 45 LYS CD C 13 28.829 0.300 . 1 . . . . 45 LYS CD . 11331 1 481 . 1 1 45 45 LYS CE C 13 42.696 0.300 . 1 . . . . 45 LYS CE . 11331 1 482 . 1 1 45 45 LYS CG C 13 24.867 0.300 . 1 . . . . 45 LYS CG . 11331 1 483 . 1 1 45 45 LYS N N 15 115.182 0.300 . 1 . . . . 45 LYS N . 11331 1 484 . 1 1 46 46 LEU H H 1 7.969 0.030 . 1 . . . . 46 LEU H . 11331 1 485 . 1 1 46 46 LEU HA H 1 4.241 0.030 . 1 . . . . 46 LEU HA . 11331 1 486 . 1 1 46 46 LEU HB2 H 1 1.651 0.030 . 2 . . . . 46 LEU HB2 . 11331 1 487 . 1 1 46 46 LEU HB3 H 1 1.582 0.030 . 2 . . . . 46 LEU HB3 . 11331 1 488 . 1 1 46 46 LEU HD11 H 1 0.857 0.030 . 1 . . . . 46 LEU HD1 . 11331 1 489 . 1 1 46 46 LEU HD12 H 1 0.857 0.030 . 1 . . . . 46 LEU HD1 . 11331 1 490 . 1 1 46 46 LEU HD13 H 1 0.857 0.030 . 1 . . . . 46 LEU HD1 . 11331 1 491 . 1 1 46 46 LEU HD21 H 1 0.851 0.030 . 1 . . . . 46 LEU HD2 . 11331 1 492 . 1 1 46 46 LEU HD22 H 1 0.851 0.030 . 1 . . . . 46 LEU HD2 . 11331 1 493 . 1 1 46 46 LEU HD23 H 1 0.851 0.030 . 1 . . . . 46 LEU HD2 . 11331 1 494 . 1 1 46 46 LEU HG H 1 1.586 0.030 . 1 . . . . 46 LEU HG . 11331 1 495 . 1 1 46 46 LEU C C 13 178.365 0.300 . 1 . . . . 46 LEU C . 11331 1 496 . 1 1 46 46 LEU CA C 13 57.763 0.300 . 1 . . . . 46 LEU CA . 11331 1 497 . 1 1 46 46 LEU CB C 13 44.331 0.300 . 1 . . . . 46 LEU CB . 11331 1 498 . 1 1 46 46 LEU CD1 C 13 23.629 0.300 . 2 . . . . 46 LEU CD1 . 11331 1 499 . 1 1 46 46 LEU CD2 C 13 24.371 0.300 . 2 . . . . 46 LEU CD2 . 11331 1 500 . 1 1 46 46 LEU CG C 13 26.988 0.300 . 1 . . . . 46 LEU CG . 11331 1 501 . 1 1 46 46 LEU N N 15 118.461 0.300 . 1 . . . . 46 LEU N . 11331 1 502 . 1 1 47 47 VAL H H 1 8.034 0.030 . 1 . . . . 47 VAL H . 11331 1 503 . 1 1 47 47 VAL HA H 1 4.627 0.030 . 1 . . . . 47 VAL HA . 11331 1 504 . 1 1 47 47 VAL HB H 1 2.344 0.030 . 1 . . . . 47 VAL HB . 11331 1 505 . 1 1 47 47 VAL HG11 H 1 0.861 0.030 . 1 . . . . 47 VAL HG1 . 11331 1 506 . 1 1 47 47 VAL HG12 H 1 0.861 0.030 . 1 . . . . 47 VAL HG1 . 11331 1 507 . 1 1 47 47 VAL HG13 H 1 0.861 0.030 . 1 . . . . 47 VAL HG1 . 11331 1 508 . 1 1 47 47 VAL HG21 H 1 0.768 0.030 . 1 . . . . 47 VAL HG2 . 11331 1 509 . 1 1 47 47 VAL HG22 H 1 0.768 0.030 . 1 . . . . 47 VAL HG2 . 11331 1 510 . 1 1 47 47 VAL HG23 H 1 0.768 0.030 . 1 . . . . 47 VAL HG2 . 11331 1 511 . 1 1 47 47 VAL C C 13 176.476 0.300 . 1 . . . . 47 VAL C . 11331 1 512 . 1 1 47 47 VAL CA C 13 60.483 0.300 . 1 . . . . 47 VAL CA . 11331 1 513 . 1 1 47 47 VAL CB C 13 34.906 0.300 . 1 . . . . 47 VAL CB . 11331 1 514 . 1 1 47 47 VAL CG1 C 13 21.895 0.300 . 2 . . . . 47 VAL CG1 . 11331 1 515 . 1 1 47 47 VAL CG2 C 13 18.938 0.300 . 2 . . . . 47 VAL CG2 . 11331 1 516 . 1 1 47 47 VAL N N 15 107.167 0.300 . 1 . . . . 47 VAL N . 11331 1 517 . 1 1 48 48 GLY H H 1 7.461 0.030 . 1 . . . . 48 GLY H . 11331 1 518 . 1 1 48 48 GLY HA2 H 1 3.987 0.030 . 2 . . . . 48 GLY HA2 . 11331 1 519 . 1 1 48 48 GLY HA3 H 1 4.635 0.030 . 2 . . . . 48 GLY HA3 . 11331 1 520 . 1 1 48 48 GLY C C 13 175.404 0.300 . 1 . . . . 48 GLY C . 11331 1 521 . 1 1 48 48 GLY CA C 13 44.939 0.300 . 1 . . . . 48 GLY CA . 11331 1 522 . 1 1 48 48 GLY N N 15 110.295 0.300 . 1 . . . . 48 GLY N . 11331 1 523 . 1 1 49 49 ARG H H 1 9.125 0.030 . 1 . . . . 49 ARG H . 11331 1 524 . 1 1 49 49 ARG HA H 1 4.119 0.030 . 1 . . . . 49 ARG HA . 11331 1 525 . 1 1 49 49 ARG HB2 H 1 1.632 0.030 . 1 . . . . 49 ARG HB2 . 11331 1 526 . 1 1 49 49 ARG HB3 H 1 1.632 0.030 . 1 . . . . 49 ARG HB3 . 11331 1 527 . 1 1 49 49 ARG HD2 H 1 3.112 0.030 . 1 . . . . 49 ARG HD2 . 11331 1 528 . 1 1 49 49 ARG HD3 H 1 3.112 0.030 . 1 . . . . 49 ARG HD3 . 11331 1 529 . 1 1 49 49 ARG HG2 H 1 1.058 0.030 . 2 . . . . 49 ARG HG2 . 11331 1 530 . 1 1 49 49 ARG HG3 H 1 1.495 0.030 . 2 . . . . 49 ARG HG3 . 11331 1 531 . 1 1 49 49 ARG C C 13 176.268 0.300 . 1 . . . . 49 ARG C . 11331 1 532 . 1 1 49 49 ARG CA C 13 57.553 0.300 . 1 . . . . 49 ARG CA . 11331 1 533 . 1 1 49 49 ARG CB C 13 29.819 0.300 . 1 . . . . 49 ARG CB . 11331 1 534 . 1 1 49 49 ARG CD C 13 43.525 0.300 . 1 . . . . 49 ARG CD . 11331 1 535 . 1 1 49 49 ARG CG C 13 27.309 0.300 . 1 . . . . 49 ARG CG . 11331 1 536 . 1 1 49 49 ARG N N 15 118.207 0.300 . 1 . . . . 49 ARG N . 11331 1 537 . 1 1 50 50 HIS H H 1 7.493 0.030 . 1 . . . . 50 HIS H . 11331 1 538 . 1 1 50 50 HIS HA H 1 3.420 0.030 . 1 . . . . 50 HIS HA . 11331 1 539 . 1 1 50 50 HIS HB2 H 1 3.215 0.030 . 2 . . . . 50 HIS HB2 . 11331 1 540 . 1 1 50 50 HIS HB3 H 1 2.237 0.030 . 2 . . . . 50 HIS HB3 . 11331 1 541 . 1 1 50 50 HIS HD2 H 1 7.062 0.030 . 1 . . . . 50 HIS HD2 . 11331 1 542 . 1 1 50 50 HIS HE1 H 1 7.950 0.030 . 1 . . . . 50 HIS HE1 . 11331 1 543 . 1 1 50 50 HIS C C 13 175.212 0.300 . 1 . . . . 50 HIS C . 11331 1 544 . 1 1 50 50 HIS CA C 13 53.202 0.300 . 1 . . . . 50 HIS CA . 11331 1 545 . 1 1 50 50 HIS CB C 13 30.639 0.300 . 1 . . . . 50 HIS CB . 11331 1 546 . 1 1 50 50 HIS CD2 C 13 121.257 0.300 . 1 . . . . 50 HIS CD2 . 11331 1 547 . 1 1 50 50 HIS CE1 C 13 140.460 0.300 . 1 . . . . 50 HIS CE1 . 11331 1 548 . 1 1 50 50 HIS N N 15 115.850 0.300 . 1 . . . . 50 HIS N . 11331 1 549 . 1 1 51 51 ARG H H 1 7.046 0.030 . 1 . . . . 51 ARG H . 11331 1 550 . 1 1 51 51 ARG HA H 1 4.635 0.030 . 1 . . . . 51 ARG HA . 11331 1 551 . 1 1 51 51 ARG HB2 H 1 1.713 0.030 . 2 . . . . 51 ARG HB2 . 11331 1 552 . 1 1 51 51 ARG HB3 H 1 1.590 0.030 . 2 . . . . 51 ARG HB3 . 11331 1 553 . 1 1 51 51 ARG HD2 H 1 3.056 0.030 . 2 . . . . 51 ARG HD2 . 11331 1 554 . 1 1 51 51 ARG HD3 H 1 3.113 0.030 . 2 . . . . 51 ARG HD3 . 11331 1 555 . 1 1 51 51 ARG HG2 H 1 1.520 0.030 . 2 . . . . 51 ARG HG2 . 11331 1 556 . 1 1 51 51 ARG HG3 H 1 1.620 0.030 . 2 . . . . 51 ARG HG3 . 11331 1 557 . 1 1 51 51 ARG C C 13 177.771 0.300 . 1 . . . . 51 ARG C . 11331 1 558 . 1 1 51 51 ARG CA C 13 58.926 0.300 . 1 . . . . 51 ARG CA . 11331 1 559 . 1 1 51 51 ARG CB C 13 30.812 0.300 . 1 . . . . 51 ARG CB . 11331 1 560 . 1 1 51 51 ARG CD C 13 43.847 0.300 . 1 . . . . 51 ARG CD . 11331 1 561 . 1 1 51 51 ARG CG C 13 26.105 0.300 . 1 . . . . 51 ARG CG . 11331 1 562 . 1 1 51 51 ARG N N 15 121.020 0.300 . 1 . . . . 51 ARG N . 11331 1 563 . 1 1 52 52 ASP H H 1 8.628 0.030 . 1 . . . . 52 ASP H . 11331 1 564 . 1 1 52 52 ASP HA H 1 4.798 0.030 . 1 . . . . 52 ASP HA . 11331 1 565 . 1 1 52 52 ASP HB2 H 1 2.901 0.030 . 2 . . . . 52 ASP HB2 . 11331 1 566 . 1 1 52 52 ASP HB3 H 1 2.594 0.030 . 2 . . . . 52 ASP HB3 . 11331 1 567 . 1 1 52 52 ASP CA C 13 53.252 0.300 . 1 . . . . 52 ASP CA . 11331 1 568 . 1 1 52 52 ASP CB C 13 40.220 0.300 . 1 . . . . 52 ASP CB . 11331 1 569 . 1 1 52 52 ASP N N 15 117.480 0.300 . 1 . . . . 52 ASP N . 11331 1 570 . 1 1 53 53 HIS H H 1 7.493 0.030 . 1 . . . . 53 HIS H . 11331 1 571 . 1 1 53 53 HIS HA H 1 4.775 0.030 . 1 . . . . 53 HIS HA . 11331 1 572 . 1 1 53 53 HIS HB2 H 1 3.282 0.030 . 2 . . . . 53 HIS HB2 . 11331 1 573 . 1 1 53 53 HIS HB3 H 1 3.421 0.030 . 2 . . . . 53 HIS HB3 . 11331 1 574 . 1 1 53 53 HIS HD2 H 1 6.790 0.030 . 1 . . . . 53 HIS HD2 . 11331 1 575 . 1 1 53 53 HIS HE1 H 1 7.844 0.030 . 1 . . . . 53 HIS HE1 . 11331 1 576 . 1 1 53 53 HIS CA C 13 53.705 0.300 . 1 . . . . 53 HIS CA . 11331 1 577 . 1 1 53 53 HIS CB C 13 33.976 0.300 . 1 . . . . 53 HIS CB . 11331 1 578 . 1 1 53 53 HIS CD2 C 13 117.052 0.300 . 1 . . . . 53 HIS CD2 . 11331 1 579 . 1 1 53 53 HIS CE1 C 13 141.061 0.300 . 1 . . . . 53 HIS CE1 . 11331 1 580 . 1 1 53 53 HIS N N 15 119.223 0.300 . 1 . . . . 53 HIS N . 11331 1 581 . 1 1 54 54 GLN H H 1 8.196 0.030 . 1 . . . . 54 GLN H . 11331 1 582 . 1 1 54 54 GLN HA H 1 4.473 0.030 . 1 . . . . 54 GLN HA . 11331 1 583 . 1 1 54 54 GLN HB2 H 1 1.976 0.030 . 1 . . . . 54 GLN HB2 . 11331 1 584 . 1 1 54 54 GLN HB3 H 1 1.976 0.030 . 1 . . . . 54 GLN HB3 . 11331 1 585 . 1 1 54 54 GLN HE21 H 1 6.916 0.030 . 2 . . . . 54 GLN HE21 . 11331 1 586 . 1 1 54 54 GLN HE22 H 1 7.622 0.030 . 2 . . . . 54 GLN HE22 . 11331 1 587 . 1 1 54 54 GLN HG2 H 1 2.462 0.030 . 2 . . . . 54 GLN HG2 . 11331 1 588 . 1 1 54 54 GLN HG3 H 1 2.242 0.030 . 2 . . . . 54 GLN HG3 . 11331 1 589 . 1 1 54 54 GLN C C 13 174.612 0.300 . 1 . . . . 54 GLN C . 11331 1 590 . 1 1 54 54 GLN CA C 13 55.509 0.300 . 1 . . . . 54 GLN CA . 11331 1 591 . 1 1 54 54 GLN CB C 13 28.730 0.300 . 1 . . . . 54 GLN CB . 11331 1 592 . 1 1 54 54 GLN CG C 13 33.512 0.300 . 1 . . . . 54 GLN CG . 11331 1 593 . 1 1 54 54 GLN N N 15 121.891 0.300 . 1 . . . . 54 GLN N . 11331 1 594 . 1 1 54 54 GLN NE2 N 15 111.935 0.300 . 1 . . . . 54 GLN NE2 . 11331 1 595 . 1 1 55 55 VAL H H 1 8.467 0.030 . 1 . . . . 55 VAL H . 11331 1 596 . 1 1 55 55 VAL HA H 1 5.453 0.030 . 1 . . . . 55 VAL HA . 11331 1 597 . 1 1 55 55 VAL HB H 1 2.028 0.030 . 1 . . . . 55 VAL HB . 11331 1 598 . 1 1 55 55 VAL HG11 H 1 0.924 0.030 . 1 . . . . 55 VAL HG1 . 11331 1 599 . 1 1 55 55 VAL HG12 H 1 0.924 0.030 . 1 . . . . 55 VAL HG1 . 11331 1 600 . 1 1 55 55 VAL HG13 H 1 0.924 0.030 . 1 . . . . 55 VAL HG1 . 11331 1 601 . 1 1 55 55 VAL HG21 H 1 0.884 0.030 . 1 . . . . 55 VAL HG2 . 11331 1 602 . 1 1 55 55 VAL HG22 H 1 0.884 0.030 . 1 . . . . 55 VAL HG2 . 11331 1 603 . 1 1 55 55 VAL HG23 H 1 0.884 0.030 . 1 . . . . 55 VAL HG2 . 11331 1 604 . 1 1 55 55 VAL C C 13 174.947 0.300 . 1 . . . . 55 VAL C . 11331 1 605 . 1 1 55 55 VAL CA C 13 59.300 0.300 . 1 . . . . 55 VAL CA . 11331 1 606 . 1 1 55 55 VAL CB C 13 35.765 0.300 . 1 . . . . 55 VAL CB . 11331 1 607 . 1 1 55 55 VAL CG1 C 13 22.641 0.300 . 2 . . . . 55 VAL CG1 . 11331 1 608 . 1 1 55 55 VAL CG2 C 13 19.365 0.300 . 2 . . . . 55 VAL CG2 . 11331 1 609 . 1 1 55 55 VAL N N 15 118.534 0.300 . 1 . . . . 55 VAL N . 11331 1 610 . 1 1 56 56 ALA H H 1 9.424 0.030 . 1 . . . . 56 ALA H . 11331 1 611 . 1 1 56 56 ALA HA H 1 4.818 0.030 . 1 . . . . 56 ALA HA . 11331 1 612 . 1 1 56 56 ALA HB1 H 1 1.488 0.030 . 1 . . . . 56 ALA HB . 11331 1 613 . 1 1 56 56 ALA HB2 H 1 1.488 0.030 . 1 . . . . 56 ALA HB . 11331 1 614 . 1 1 56 56 ALA HB3 H 1 1.488 0.030 . 1 . . . . 56 ALA HB . 11331 1 615 . 1 1 56 56 ALA C C 13 176.257 0.300 . 1 . . . . 56 ALA C . 11331 1 616 . 1 1 56 56 ALA CA C 13 50.413 0.300 . 1 . . . . 56 ALA CA . 11331 1 617 . 1 1 56 56 ALA CB C 13 23.006 0.300 . 1 . . . . 56 ALA CB . 11331 1 618 . 1 1 56 56 ALA N N 15 125.331 0.300 . 1 . . . . 56 ALA N . 11331 1 619 . 1 1 57 57 SER H H 1 8.815 0.030 . 1 . . . . 57 SER H . 11331 1 620 . 1 1 57 57 SER HA H 1 4.623 0.030 . 1 . . . . 57 SER HA . 11331 1 621 . 1 1 57 57 SER HB2 H 1 4.104 0.030 . 2 . . . . 57 SER HB2 . 11331 1 622 . 1 1 57 57 SER HB3 H 1 3.958 0.030 . 2 . . . . 57 SER HB3 . 11331 1 623 . 1 1 57 57 SER C C 13 175.093 0.300 . 1 . . . . 57 SER C . 11331 1 624 . 1 1 57 57 SER CA C 13 58.568 0.300 . 1 . . . . 57 SER CA . 11331 1 625 . 1 1 57 57 SER CB C 13 63.992 0.300 . 1 . . . . 57 SER CB . 11331 1 626 . 1 1 57 57 SER N N 15 115.942 0.300 . 1 . . . . 57 SER N . 11331 1 627 . 1 1 58 58 LEU H H 1 8.351 0.030 . 1 . . . . 58 LEU H . 11331 1 628 . 1 1 58 58 LEU HA H 1 4.114 0.030 . 1 . . . . 58 LEU HA . 11331 1 629 . 1 1 58 58 LEU HB2 H 1 1.417 0.030 . 2 . . . . 58 LEU HB2 . 11331 1 630 . 1 1 58 58 LEU HB3 H 1 1.547 0.030 . 2 . . . . 58 LEU HB3 . 11331 1 631 . 1 1 58 58 LEU HD11 H 1 0.745 0.030 . 1 . . . . 58 LEU HD1 . 11331 1 632 . 1 1 58 58 LEU HD12 H 1 0.745 0.030 . 1 . . . . 58 LEU HD1 . 11331 1 633 . 1 1 58 58 LEU HD13 H 1 0.745 0.030 . 1 . . . . 58 LEU HD1 . 11331 1 634 . 1 1 58 58 LEU HD21 H 1 0.673 0.030 . 1 . . . . 58 LEU HD2 . 11331 1 635 . 1 1 58 58 LEU HD22 H 1 0.673 0.030 . 1 . . . . 58 LEU HD2 . 11331 1 636 . 1 1 58 58 LEU HD23 H 1 0.673 0.030 . 1 . . . . 58 LEU HD2 . 11331 1 637 . 1 1 58 58 LEU HG H 1 1.416 0.030 . 1 . . . . 58 LEU HG . 11331 1 638 . 1 1 58 58 LEU C C 13 177.737 0.300 . 1 . . . . 58 LEU C . 11331 1 639 . 1 1 58 58 LEU CA C 13 56.417 0.300 . 1 . . . . 58 LEU CA . 11331 1 640 . 1 1 58 58 LEU CB C 13 41.540 0.300 . 1 . . . . 58 LEU CB . 11331 1 641 . 1 1 58 58 LEU CD1 C 13 25.459 0.300 . 2 . . . . 58 LEU CD1 . 11331 1 642 . 1 1 58 58 LEU CD2 C 13 23.607 0.300 . 2 . . . . 58 LEU CD2 . 11331 1 643 . 1 1 58 58 LEU CG C 13 27.032 0.300 . 1 . . . . 58 LEU CG . 11331 1 644 . 1 1 58 58 LEU N N 15 122.117 0.300 . 1 . . . . 58 LEU N . 11331 1 645 . 1 1 59 59 ASN H H 1 8.285 0.030 . 1 . . . . 59 ASN H . 11331 1 646 . 1 1 59 59 ASN HA H 1 4.533 0.030 . 1 . . . . 59 ASN HA . 11331 1 647 . 1 1 59 59 ASN HB2 H 1 2.799 0.030 . 1 . . . . 59 ASN HB2 . 11331 1 648 . 1 1 59 59 ASN HB3 H 1 2.799 0.030 . 1 . . . . 59 ASN HB3 . 11331 1 649 . 1 1 59 59 ASN HD21 H 1 7.675 0.030 . 2 . . . . 59 ASN HD21 . 11331 1 650 . 1 1 59 59 ASN HD22 H 1 6.958 0.030 . 2 . . . . 59 ASN HD22 . 11331 1 651 . 1 1 59 59 ASN C C 13 175.912 0.300 . 1 . . . . 59 ASN C . 11331 1 652 . 1 1 59 59 ASN CA C 13 54.391 0.300 . 1 . . . . 59 ASN CA . 11331 1 653 . 1 1 59 59 ASN CB C 13 38.734 0.300 . 1 . . . . 59 ASN CB . 11331 1 654 . 1 1 59 59 ASN N N 15 116.885 0.300 . 1 . . . . 59 ASN N . 11331 1 655 . 1 1 59 59 ASN ND2 N 15 113.012 0.300 . 1 . . . . 59 ASN ND2 . 11331 1 656 . 1 1 60 60 ASP H H 1 7.996 0.030 . 1 . . . . 60 ASP H . 11331 1 657 . 1 1 60 60 ASP HA H 1 4.503 0.030 . 1 . . . . 60 ASP HA . 11331 1 658 . 1 1 60 60 ASP HB2 H 1 2.708 0.030 . 1 . . . . 60 ASP HB2 . 11331 1 659 . 1 1 60 60 ASP HB3 H 1 2.708 0.030 . 1 . . . . 60 ASP HB3 . 11331 1 660 . 1 1 60 60 ASP C C 13 177.054 0.300 . 1 . . . . 60 ASP C . 11331 1 661 . 1 1 60 60 ASP CA C 13 55.744 0.300 . 1 . . . . 60 ASP CA . 11331 1 662 . 1 1 60 60 ASP CB C 13 40.962 0.300 . 1 . . . . 60 ASP CB . 11331 1 663 . 1 1 60 60 ASP N N 15 119.356 0.300 . 1 . . . . 60 ASP N . 11331 1 664 . 1 1 61 61 ARG H H 1 7.810 0.030 . 1 . . . . 61 ARG H . 11331 1 665 . 1 1 61 61 ARG HA H 1 4.011 0.030 . 1 . . . . 61 ARG HA . 11331 1 666 . 1 1 61 61 ARG HB2 H 1 1.591 0.030 . 2 . . . . 61 ARG HB2 . 11331 1 667 . 1 1 61 61 ARG HB3 H 1 1.477 0.030 . 2 . . . . 61 ARG HB3 . 11331 1 668 . 1 1 61 61 ARG HD2 H 1 2.738 0.030 . 2 . . . . 61 ARG HD2 . 11331 1 669 . 1 1 61 61 ARG HD3 H 1 2.838 0.030 . 2 . . . . 61 ARG HD3 . 11331 1 670 . 1 1 61 61 ARG HG2 H 1 1.184 0.030 . 1 . . . . 61 ARG HG2 . 11331 1 671 . 1 1 61 61 ARG HG3 H 1 1.184 0.030 . 1 . . . . 61 ARG HG3 . 11331 1 672 . 1 1 61 61 ARG C C 13 176.761 0.300 . 1 . . . . 61 ARG C . 11331 1 673 . 1 1 61 61 ARG CA C 13 56.918 0.300 . 1 . . . . 61 ARG CA . 11331 1 674 . 1 1 61 61 ARG CB C 13 29.841 0.300 . 1 . . . . 61 ARG CB . 11331 1 675 . 1 1 61 61 ARG CD C 13 42.933 0.300 . 1 . . . . 61 ARG CD . 11331 1 676 . 1 1 61 61 ARG CG C 13 26.600 0.300 . 1 . . . . 61 ARG CG . 11331 1 677 . 1 1 61 61 ARG N N 15 119.339 0.300 . 1 . . . . 61 ARG N . 11331 1 678 . 1 1 62 62 PHE H H 1 8.018 0.030 . 1 . . . . 62 PHE H . 11331 1 679 . 1 1 62 62 PHE HA H 1 4.379 0.030 . 1 . . . . 62 PHE HA . 11331 1 680 . 1 1 62 62 PHE HB2 H 1 3.171 0.030 . 2 . . . . 62 PHE HB2 . 11331 1 681 . 1 1 62 62 PHE HB3 H 1 3.028 0.030 . 2 . . . . 62 PHE HB3 . 11331 1 682 . 1 1 62 62 PHE HD1 H 1 7.158 0.030 . 1 . . . . 62 PHE HD1 . 11331 1 683 . 1 1 62 62 PHE HD2 H 1 7.158 0.030 . 1 . . . . 62 PHE HD2 . 11331 1 684 . 1 1 62 62 PHE HE1 H 1 7.203 0.030 . 1 . . . . 62 PHE HE1 . 11331 1 685 . 1 1 62 62 PHE HE2 H 1 7.203 0.030 . 1 . . . . 62 PHE HE2 . 11331 1 686 . 1 1 62 62 PHE HZ H 1 7.150 0.030 . 1 . . . . 62 PHE HZ . 11331 1 687 . 1 1 62 62 PHE C C 13 176.558 0.300 . 1 . . . . 62 PHE C . 11331 1 688 . 1 1 62 62 PHE CA C 13 59.192 0.300 . 1 . . . . 62 PHE CA . 11331 1 689 . 1 1 62 62 PHE CB C 13 38.981 0.300 . 1 . . . . 62 PHE CB . 11331 1 690 . 1 1 62 62 PHE CD1 C 13 131.593 0.300 . 1 . . . . 62 PHE CD1 . 11331 1 691 . 1 1 62 62 PHE CD2 C 13 131.593 0.300 . 1 . . . . 62 PHE CD2 . 11331 1 692 . 1 1 62 62 PHE CE1 C 13 131.440 0.300 . 1 . . . . 62 PHE CE1 . 11331 1 693 . 1 1 62 62 PHE CE2 C 13 131.440 0.300 . 1 . . . . 62 PHE CE2 . 11331 1 694 . 1 1 62 62 PHE CZ C 13 129.623 0.300 . 1 . . . . 62 PHE CZ . 11331 1 695 . 1 1 62 62 PHE N N 15 118.824 0.300 . 1 . . . . 62 PHE N . 11331 1 696 . 1 1 63 63 GLU H H 1 8.246 0.030 . 1 . . . . 63 GLU H . 11331 1 697 . 1 1 63 63 GLU HA H 1 4.045 0.030 . 1 . . . . 63 GLU HA . 11331 1 698 . 1 1 63 63 GLU HB2 H 1 2.026 0.030 . 1 . . . . 63 GLU HB2 . 11331 1 699 . 1 1 63 63 GLU HB3 H 1 2.026 0.030 . 1 . . . . 63 GLU HB3 . 11331 1 700 . 1 1 63 63 GLU HG2 H 1 2.290 0.030 . 1 . . . . 63 GLU HG2 . 11331 1 701 . 1 1 63 63 GLU HG3 H 1 2.290 0.030 . 1 . . . . 63 GLU HG3 . 11331 1 702 . 1 1 63 63 GLU C C 13 177.772 0.300 . 1 . . . . 63 GLU C . 11331 1 703 . 1 1 63 63 GLU CA C 13 58.229 0.300 . 1 . . . . 63 GLU CA . 11331 1 704 . 1 1 63 63 GLU CB C 13 29.819 0.300 . 1 . . . . 63 GLU CB . 11331 1 705 . 1 1 63 63 GLU CG C 13 36.158 0.300 . 1 . . . . 63 GLU CG . 11331 1 706 . 1 1 63 63 GLU N N 15 120.449 0.300 . 1 . . . . 63 GLU N . 11331 1 707 . 1 1 64 64 LYS H H 1 8.036 0.030 . 1 . . . . 64 LYS H . 11331 1 708 . 1 1 64 64 LYS HA H 1 4.156 0.030 . 1 . . . . 64 LYS HA . 11331 1 709 . 1 1 64 64 LYS HB2 H 1 1.805 0.030 . 1 . . . . 64 LYS HB2 . 11331 1 710 . 1 1 64 64 LYS HB3 H 1 1.805 0.030 . 1 . . . . 64 LYS HB3 . 11331 1 711 . 1 1 64 64 LYS HD2 H 1 1.637 0.030 . 1 . . . . 64 LYS HD2 . 11331 1 712 . 1 1 64 64 LYS HD3 H 1 1.637 0.030 . 1 . . . . 64 LYS HD3 . 11331 1 713 . 1 1 64 64 LYS HE2 H 1 2.952 0.030 . 1 . . . . 64 LYS HE2 . 11331 1 714 . 1 1 64 64 LYS HE3 H 1 2.952 0.030 . 1 . . . . 64 LYS HE3 . 11331 1 715 . 1 1 64 64 LYS HG2 H 1 1.416 0.030 . 1 . . . . 64 LYS HG2 . 11331 1 716 . 1 1 64 64 LYS HG3 H 1 1.416 0.030 . 1 . . . . 64 LYS HG3 . 11331 1 717 . 1 1 64 64 LYS C C 13 178.051 0.300 . 1 . . . . 64 LYS C . 11331 1 718 . 1 1 64 64 LYS CA C 13 57.508 0.300 . 1 . . . . 64 LYS CA . 11331 1 719 . 1 1 64 64 LYS CB C 13 32.402 0.300 . 1 . . . . 64 LYS CB . 11331 1 720 . 1 1 64 64 LYS CD C 13 29.013 0.300 . 1 . . . . 64 LYS CD . 11331 1 721 . 1 1 64 64 LYS CE C 13 42.165 0.300 . 1 . . . . 64 LYS CE . 11331 1 722 . 1 1 64 64 LYS CG C 13 25.114 0.300 . 1 . . . . 64 LYS CG . 11331 1 723 . 1 1 64 64 LYS N N 15 119.737 0.300 . 1 . . . . 64 LYS N . 11331 1 724 . 1 1 65 65 LEU H H 1 7.918 0.030 . 1 . . . . 65 LEU H . 11331 1 725 . 1 1 65 65 LEU HA H 1 4.162 0.030 . 1 . . . . 65 LEU HA . 11331 1 726 . 1 1 65 65 LEU HB2 H 1 1.628 0.030 . 2 . . . . 65 LEU HB2 . 11331 1 727 . 1 1 65 65 LEU HB3 H 1 1.570 0.030 . 2 . . . . 65 LEU HB3 . 11331 1 728 . 1 1 65 65 LEU HD11 H 1 0.837 0.030 . 1 . . . . 65 LEU HD1 . 11331 1 729 . 1 1 65 65 LEU HD12 H 1 0.837 0.030 . 1 . . . . 65 LEU HD1 . 11331 1 730 . 1 1 65 65 LEU HD13 H 1 0.837 0.030 . 1 . . . . 65 LEU HD1 . 11331 1 731 . 1 1 65 65 LEU HD21 H 1 0.820 0.030 . 1 . . . . 65 LEU HD2 . 11331 1 732 . 1 1 65 65 LEU HD22 H 1 0.820 0.030 . 1 . . . . 65 LEU HD2 . 11331 1 733 . 1 1 65 65 LEU HD23 H 1 0.820 0.030 . 1 . . . . 65 LEU HD2 . 11331 1 734 . 1 1 65 65 LEU HG H 1 1.583 0.030 . 1 . . . . 65 LEU HG . 11331 1 735 . 1 1 65 65 LEU C C 13 178.048 0.300 . 1 . . . . 65 LEU C . 11331 1 736 . 1 1 65 65 LEU CA C 13 56.663 0.300 . 1 . . . . 65 LEU CA . 11331 1 737 . 1 1 65 65 LEU CB C 13 41.964 0.300 . 1 . . . . 65 LEU CB . 11331 1 738 . 1 1 65 65 LEU CD1 C 13 24.867 0.300 . 2 . . . . 65 LEU CD1 . 11331 1 739 . 1 1 65 65 LEU CD2 C 13 23.876 0.300 . 2 . . . . 65 LEU CD2 . 11331 1 740 . 1 1 65 65 LEU CG C 13 27.015 0.300 . 1 . . . . 65 LEU CG . 11331 1 741 . 1 1 65 65 LEU N N 15 121.429 0.300 . 1 . . . . 65 LEU N . 11331 1 742 . 1 1 66 66 LYS H H 1 8.078 0.030 . 1 . . . . 66 LYS H . 11331 1 743 . 1 1 66 66 LYS HA H 1 4.013 0.030 . 1 . . . . 66 LYS HA . 11331 1 744 . 1 1 66 66 LYS HB2 H 1 1.816 0.030 . 2 . . . . 66 LYS HB2 . 11331 1 745 . 1 1 66 66 LYS HB3 H 1 1.727 0.030 . 2 . . . . 66 LYS HB3 . 11331 1 746 . 1 1 66 66 LYS HD2 H 1 1.657 0.030 . 1 . . . . 66 LYS HD2 . 11331 1 747 . 1 1 66 66 LYS HD3 H 1 1.657 0.030 . 1 . . . . 66 LYS HD3 . 11331 1 748 . 1 1 66 66 LYS HE2 H 1 2.969 0.030 . 2 . . . . 66 LYS HE2 . 11331 1 749 . 1 1 66 66 LYS HE3 H 1 2.928 0.030 . 2 . . . . 66 LYS HE3 . 11331 1 750 . 1 1 66 66 LYS HG2 H 1 1.344 0.030 . 1 . . . . 66 LYS HG2 . 11331 1 751 . 1 1 66 66 LYS HG3 H 1 1.344 0.030 . 1 . . . . 66 LYS HG3 . 11331 1 752 . 1 1 66 66 LYS C C 13 177.444 0.300 . 1 . . . . 66 LYS C . 11331 1 753 . 1 1 66 66 LYS CA C 13 58.296 0.300 . 1 . . . . 66 LYS CA . 11331 1 754 . 1 1 66 66 LYS CB C 13 32.421 0.300 . 1 . . . . 66 LYS CB . 11331 1 755 . 1 1 66 66 LYS CD C 13 29.087 0.300 . 1 . . . . 66 LYS CD . 11331 1 756 . 1 1 66 66 LYS CE C 13 42.191 0.300 . 1 . . . . 66 LYS CE . 11331 1 757 . 1 1 66 66 LYS CG C 13 24.805 0.300 . 1 . . . . 66 LYS CG . 11331 1 758 . 1 1 66 66 LYS N N 15 120.433 0.300 . 1 . . . . 66 LYS N . 11331 1 759 . 1 1 67 67 GLN H H 1 8.108 0.030 . 1 . . . . 67 GLN H . 11331 1 760 . 1 1 67 67 GLN HA H 1 4.258 0.030 . 1 . . . . 67 GLN HA . 11331 1 761 . 1 1 67 67 GLN HB2 H 1 2.130 0.030 . 2 . . . . 67 GLN HB2 . 11331 1 762 . 1 1 67 67 GLN HB3 H 1 2.087 0.030 . 2 . . . . 67 GLN HB3 . 11331 1 763 . 1 1 67 67 GLN HE21 H 1 7.561 0.030 . 2 . . . . 67 GLN HE21 . 11331 1 764 . 1 1 67 67 GLN HE22 H 1 6.849 0.030 . 2 . . . . 67 GLN HE22 . 11331 1 765 . 1 1 67 67 GLN HG2 H 1 2.461 0.030 . 2 . . . . 67 GLN HG2 . 11331 1 766 . 1 1 67 67 GLN HG3 H 1 2.383 0.030 . 2 . . . . 67 GLN HG3 . 11331 1 767 . 1 1 67 67 GLN C C 13 177.230 0.300 . 1 . . . . 67 GLN C . 11331 1 768 . 1 1 67 67 GLN CA C 13 57.270 0.300 . 1 . . . . 67 GLN CA . 11331 1 769 . 1 1 67 67 GLN CB C 13 29.012 0.300 . 1 . . . . 67 GLN CB . 11331 1 770 . 1 1 67 67 GLN CG C 13 33.944 0.300 . 1 . . . . 67 GLN CG . 11331 1 771 . 1 1 67 67 GLN N N 15 119.006 0.300 . 1 . . . . 67 GLN N . 11331 1 772 . 1 1 67 67 GLN NE2 N 15 112.005 0.300 . 1 . . . . 67 GLN NE2 . 11331 1 773 . 1 1 68 68 THR H H 1 8.055 0.030 . 1 . . . . 68 THR H . 11331 1 774 . 1 1 68 68 THR HA H 1 4.195 0.030 . 1 . . . . 68 THR HA . 11331 1 775 . 1 1 68 68 THR HB H 1 4.270 0.030 . 1 . . . . 68 THR HB . 11331 1 776 . 1 1 68 68 THR HG21 H 1 1.224 0.030 . 1 . . . . 68 THR HG2 . 11331 1 777 . 1 1 68 68 THR HG22 H 1 1.224 0.030 . 1 . . . . 68 THR HG2 . 11331 1 778 . 1 1 68 68 THR HG23 H 1 1.224 0.030 . 1 . . . . 68 THR HG2 . 11331 1 779 . 1 1 68 68 THR C C 13 175.254 0.300 . 1 . . . . 68 THR C . 11331 1 780 . 1 1 68 68 THR CA C 13 63.763 0.300 . 1 . . . . 68 THR CA . 11331 1 781 . 1 1 68 68 THR CB C 13 69.539 0.300 . 1 . . . . 68 THR CB . 11331 1 782 . 1 1 68 68 THR CG2 C 13 21.761 0.300 . 1 . . . . 68 THR CG2 . 11331 1 783 . 1 1 68 68 THR N N 15 115.291 0.300 . 1 . . . . 68 THR N . 11331 1 784 . 1 1 69 69 LEU H H 1 8.169 0.030 . 1 . . . . 69 LEU H . 11331 1 785 . 1 1 69 69 LEU HA H 1 4.229 0.030 . 1 . . . . 69 LEU HA . 11331 1 786 . 1 1 69 69 LEU HB2 H 1 1.591 0.030 . 1 . . . . 69 LEU HB2 . 11331 1 787 . 1 1 69 69 LEU HB3 H 1 1.591 0.030 . 1 . . . . 69 LEU HB3 . 11331 1 788 . 1 1 69 69 LEU HD11 H 1 0.858 0.030 . 1 . . . . 69 LEU HD1 . 11331 1 789 . 1 1 69 69 LEU HD12 H 1 0.858 0.030 . 1 . . . . 69 LEU HD1 . 11331 1 790 . 1 1 69 69 LEU HD13 H 1 0.858 0.030 . 1 . . . . 69 LEU HD1 . 11331 1 791 . 1 1 69 69 LEU HD21 H 1 0.855 0.030 . 1 . . . . 69 LEU HD2 . 11331 1 792 . 1 1 69 69 LEU HD22 H 1 0.855 0.030 . 1 . . . . 69 LEU HD2 . 11331 1 793 . 1 1 69 69 LEU HD23 H 1 0.855 0.030 . 1 . . . . 69 LEU HD2 . 11331 1 794 . 1 1 69 69 LEU HG H 1 1.670 0.030 . 1 . . . . 69 LEU HG . 11331 1 795 . 1 1 69 69 LEU C C 13 178.071 0.300 . 1 . . . . 69 LEU C . 11331 1 796 . 1 1 69 69 LEU CA C 13 56.407 0.300 . 1 . . . . 69 LEU CA . 11331 1 797 . 1 1 69 69 LEU CB C 13 41.953 0.300 . 1 . . . . 69 LEU CB . 11331 1 798 . 1 1 69 69 LEU CD1 C 13 23.531 0.300 . 1 . . . . 69 LEU CD1 . 11331 1 799 . 1 1 69 69 LEU CD2 C 13 23.531 0.300 . 1 . . . . 69 LEU CD2 . 11331 1 800 . 1 1 69 69 LEU CG C 13 26.848 0.300 . 1 . . . . 69 LEU CG . 11331 1 801 . 1 1 69 69 LEU N N 15 123.274 0.300 . 1 . . . . 69 LEU N . 11331 1 802 . 1 1 70 70 GLU H H 1 8.234 0.030 . 1 . . . . 70 GLU H . 11331 1 803 . 1 1 70 70 GLU HA H 1 4.159 0.030 . 1 . . . . 70 GLU HA . 11331 1 804 . 1 1 70 70 GLU HB2 H 1 2.028 0.030 . 1 . . . . 70 GLU HB2 . 11331 1 805 . 1 1 70 70 GLU HB3 H 1 2.028 0.030 . 1 . . . . 70 GLU HB3 . 11331 1 806 . 1 1 70 70 GLU HG2 H 1 2.322 0.030 . 2 . . . . 70 GLU HG2 . 11331 1 807 . 1 1 70 70 GLU HG3 H 1 2.235 0.030 . 2 . . . . 70 GLU HG3 . 11331 1 808 . 1 1 70 70 GLU C C 13 177.307 0.300 . 1 . . . . 70 GLU C . 11331 1 809 . 1 1 70 70 GLU CA C 13 57.443 0.300 . 1 . . . . 70 GLU CA . 11331 1 810 . 1 1 70 70 GLU CB C 13 29.799 0.300 . 1 . . . . 70 GLU CB . 11331 1 811 . 1 1 70 70 GLU CG C 13 36.534 0.300 . 1 . . . . 70 GLU CG . 11331 1 812 . 1 1 70 70 GLU N N 15 119.969 0.300 . 1 . . . . 70 GLU N . 11331 1 813 . 1 1 71 71 MET H H 1 8.121 0.030 . 1 . . . . 71 MET H . 11331 1 814 . 1 1 71 71 MET HA H 1 4.379 0.030 . 1 . . . . 71 MET HA . 11331 1 815 . 1 1 71 71 MET HB2 H 1 2.087 0.030 . 1 . . . . 71 MET HB2 . 11331 1 816 . 1 1 71 71 MET HB3 H 1 2.087 0.030 . 1 . . . . 71 MET HB3 . 11331 1 817 . 1 1 71 71 MET HE1 H 1 2.090 0.030 . 1 . . . . 71 MET HE . 11331 1 818 . 1 1 71 71 MET HE2 H 1 2.090 0.030 . 1 . . . . 71 MET HE . 11331 1 819 . 1 1 71 71 MET HE3 H 1 2.090 0.030 . 1 . . . . 71 MET HE . 11331 1 820 . 1 1 71 71 MET HG2 H 1 2.630 0.030 . 2 . . . . 71 MET HG2 . 11331 1 821 . 1 1 71 71 MET HG3 H 1 2.543 0.030 . 2 . . . . 71 MET HG3 . 11331 1 822 . 1 1 71 71 MET C C 13 176.355 0.300 . 1 . . . . 71 MET C . 11331 1 823 . 1 1 71 71 MET CA C 13 56.375 0.300 . 1 . . . . 71 MET CA . 11331 1 824 . 1 1 71 71 MET CB C 13 32.670 0.300 . 1 . . . . 71 MET CB . 11331 1 825 . 1 1 71 71 MET CE C 13 16.989 0.300 . 1 . . . . 71 MET CE . 11331 1 826 . 1 1 71 71 MET CG C 13 32.257 0.300 . 1 . . . . 71 MET CG . 11331 1 827 . 1 1 71 71 MET N N 15 119.935 0.300 . 1 . . . . 71 MET N . 11331 1 828 . 1 1 72 72 ASN H H 1 8.316 0.030 . 1 . . . . 72 ASN H . 11331 1 829 . 1 1 72 72 ASN HA H 1 4.681 0.030 . 1 . . . . 72 ASN HA . 11331 1 830 . 1 1 72 72 ASN HB2 H 1 2.802 0.030 . 1 . . . . 72 ASN HB2 . 11331 1 831 . 1 1 72 72 ASN HB3 H 1 2.802 0.030 . 1 . . . . 72 ASN HB3 . 11331 1 832 . 1 1 72 72 ASN HD21 H 1 6.963 0.030 . 2 . . . . 72 ASN HD21 . 11331 1 833 . 1 1 72 72 ASN HD22 H 1 7.619 0.030 . 2 . . . . 72 ASN HD22 . 11331 1 834 . 1 1 72 72 ASN C C 13 175.669 0.300 . 1 . . . . 72 ASN C . 11331 1 835 . 1 1 72 72 ASN CA C 13 53.622 0.300 . 1 . . . . 72 ASN CA . 11331 1 836 . 1 1 72 72 ASN CB C 13 38.712 0.300 . 1 . . . . 72 ASN CB . 11331 1 837 . 1 1 72 72 ASN N N 15 118.923 0.300 . 1 . . . . 72 ASN N . 11331 1 838 . 1 1 72 72 ASN ND2 N 15 112.700 0.300 . 1 . . . . 72 ASN ND2 . 11331 1 839 . 1 1 73 73 LEU H H 1 8.190 0.030 . 1 . . . . 73 LEU H . 11331 1 840 . 1 1 73 73 LEU HA H 1 4.338 0.030 . 1 . . . . 73 LEU HA . 11331 1 841 . 1 1 73 73 LEU HB2 H 1 1.740 0.030 . 1 . . . . 73 LEU HB2 . 11331 1 842 . 1 1 73 73 LEU HB3 H 1 1.740 0.030 . 1 . . . . 73 LEU HB3 . 11331 1 843 . 1 1 73 73 LEU HD11 H 1 0.861 0.030 . 1 . . . . 73 LEU HD1 . 11331 1 844 . 1 1 73 73 LEU HD12 H 1 0.861 0.030 . 1 . . . . 73 LEU HD1 . 11331 1 845 . 1 1 73 73 LEU HD13 H 1 0.861 0.030 . 1 . . . . 73 LEU HD1 . 11331 1 846 . 1 1 73 73 LEU HD21 H 1 0.919 0.030 . 1 . . . . 73 LEU HD2 . 11331 1 847 . 1 1 73 73 LEU HD22 H 1 0.919 0.030 . 1 . . . . 73 LEU HD2 . 11331 1 848 . 1 1 73 73 LEU HD23 H 1 0.919 0.030 . 1 . . . . 73 LEU HD2 . 11331 1 849 . 1 1 73 73 LEU HG H 1 1.674 0.030 . 1 . . . . 73 LEU HG . 11331 1 850 . 1 1 73 73 LEU C C 13 178.029 0.300 . 1 . . . . 73 LEU C . 11331 1 851 . 1 1 73 73 LEU CA C 13 55.902 0.300 . 1 . . . . 73 LEU CA . 11331 1 852 . 1 1 73 73 LEU CB C 13 42.170 0.300 . 1 . . . . 73 LEU CB . 11331 1 853 . 1 1 73 73 LEU CD1 C 13 23.396 0.300 . 2 . . . . 73 LEU CD1 . 11331 1 854 . 1 1 73 73 LEU CD2 C 13 25.151 0.300 . 2 . . . . 73 LEU CD2 . 11331 1 855 . 1 1 73 73 LEU CG C 13 26.888 0.300 . 1 . . . . 73 LEU CG . 11331 1 856 . 1 1 73 73 LEU N N 15 121.786 0.300 . 1 . . . . 73 LEU N . 11331 1 857 . 1 1 74 74 THR H H 1 8.049 0.030 . 1 . . . . 74 THR H . 11331 1 858 . 1 1 74 74 THR HA H 1 4.243 0.030 . 1 . . . . 74 THR HA . 11331 1 859 . 1 1 74 74 THR HB H 1 4.263 0.030 . 1 . . . . 74 THR HB . 11331 1 860 . 1 1 74 74 THR HG21 H 1 1.219 0.030 . 1 . . . . 74 THR HG2 . 11331 1 861 . 1 1 74 74 THR HG22 H 1 1.219 0.030 . 1 . . . . 74 THR HG2 . 11331 1 862 . 1 1 74 74 THR HG23 H 1 1.219 0.030 . 1 . . . . 74 THR HG2 . 11331 1 863 . 1 1 74 74 THR C C 13 174.597 0.300 . 1 . . . . 74 THR C . 11331 1 864 . 1 1 74 74 THR CA C 13 62.960 0.300 . 1 . . . . 74 THR CA . 11331 1 865 . 1 1 74 74 THR CB C 13 69.517 0.300 . 1 . . . . 74 THR CB . 11331 1 866 . 1 1 74 74 THR CG2 C 13 21.705 0.300 . 1 . . . . 74 THR CG2 . 11331 1 867 . 1 1 74 74 THR N N 15 113.345 0.300 . 1 . . . . 74 THR N . 11331 1 868 . 1 1 75 75 ASN H H 1 8.251 0.030 . 1 . . . . 75 ASN H . 11331 1 869 . 1 1 75 75 ASN HA H 1 4.677 0.030 . 1 . . . . 75 ASN HA . 11331 1 870 . 1 1 75 75 ASN HB2 H 1 2.830 0.030 . 2 . . . . 75 ASN HB2 . 11331 1 871 . 1 1 75 75 ASN HB3 H 1 2.748 0.030 . 2 . . . . 75 ASN HB3 . 11331 1 872 . 1 1 75 75 ASN HD21 H 1 6.898 0.030 . 2 . . . . 75 ASN HD21 . 11331 1 873 . 1 1 75 75 ASN HD22 H 1 7.607 0.030 . 2 . . . . 75 ASN HD22 . 11331 1 874 . 1 1 75 75 ASN C C 13 175.127 0.300 . 1 . . . . 75 ASN C . 11331 1 875 . 1 1 75 75 ASN CA C 13 53.435 0.300 . 1 . . . . 75 ASN CA . 11331 1 876 . 1 1 75 75 ASN CB C 13 38.646 0.300 . 1 . . . . 75 ASN CB . 11331 1 877 . 1 1 75 75 ASN N N 15 120.029 0.300 . 1 . . . . 75 ASN N . 11331 1 878 . 1 1 75 75 ASN ND2 N 15 112.600 0.300 . 1 . . . . 75 ASN ND2 . 11331 1 879 . 1 1 76 76 LEU H H 1 8.029 0.030 . 1 . . . . 76 LEU H . 11331 1 880 . 1 1 76 76 LEU HA H 1 4.321 0.030 . 1 . . . . 76 LEU HA . 11331 1 881 . 1 1 76 76 LEU HB2 H 1 1.667 0.030 . 2 . . . . 76 LEU HB2 . 11331 1 882 . 1 1 76 76 LEU HB3 H 1 1.598 0.030 . 2 . . . . 76 LEU HB3 . 11331 1 883 . 1 1 76 76 LEU HD11 H 1 0.857 0.030 . 1 . . . . 76 LEU HD1 . 11331 1 884 . 1 1 76 76 LEU HD12 H 1 0.857 0.030 . 1 . . . . 76 LEU HD1 . 11331 1 885 . 1 1 76 76 LEU HD13 H 1 0.857 0.030 . 1 . . . . 76 LEU HD1 . 11331 1 886 . 1 1 76 76 LEU HD21 H 1 0.901 0.030 . 1 . . . . 76 LEU HD2 . 11331 1 887 . 1 1 76 76 LEU HD22 H 1 0.901 0.030 . 1 . . . . 76 LEU HD2 . 11331 1 888 . 1 1 76 76 LEU HD23 H 1 0.901 0.030 . 1 . . . . 76 LEU HD2 . 11331 1 889 . 1 1 76 76 LEU HG H 1 1.671 0.030 . 1 . . . . 76 LEU HG . 11331 1 890 . 1 1 76 76 LEU C C 13 177.357 0.300 . 1 . . . . 76 LEU C . 11331 1 891 . 1 1 76 76 LEU CA C 13 55.630 0.300 . 1 . . . . 76 LEU CA . 11331 1 892 . 1 1 76 76 LEU CB C 13 42.341 0.300 . 1 . . . . 76 LEU CB . 11331 1 893 . 1 1 76 76 LEU CD1 C 13 23.540 0.300 . 2 . . . . 76 LEU CD1 . 11331 1 894 . 1 1 76 76 LEU CD2 C 13 24.978 0.300 . 2 . . . . 76 LEU CD2 . 11331 1 895 . 1 1 76 76 LEU CG C 13 27.095 0.300 . 1 . . . . 76 LEU CG . 11331 1 896 . 1 1 76 76 LEU N N 15 121.967 0.300 . 1 . . . . 76 LEU N . 11331 1 897 . 1 1 77 77 VAL H H 1 8.020 0.030 . 1 . . . . 77 VAL H . 11331 1 898 . 1 1 77 77 VAL HA H 1 4.060 0.030 . 1 . . . . 77 VAL HA . 11331 1 899 . 1 1 77 77 VAL HB H 1 2.059 0.030 . 1 . . . . 77 VAL HB . 11331 1 900 . 1 1 77 77 VAL HG11 H 1 0.946 0.030 . 1 . . . . 77 VAL HG1 . 11331 1 901 . 1 1 77 77 VAL HG12 H 1 0.946 0.030 . 1 . . . . 77 VAL HG1 . 11331 1 902 . 1 1 77 77 VAL HG13 H 1 0.946 0.030 . 1 . . . . 77 VAL HG1 . 11331 1 903 . 1 1 77 77 VAL HG21 H 1 0.916 0.030 . 1 . . . . 77 VAL HG2 . 11331 1 904 . 1 1 77 77 VAL HG22 H 1 0.916 0.030 . 1 . . . . 77 VAL HG2 . 11331 1 905 . 1 1 77 77 VAL HG23 H 1 0.916 0.030 . 1 . . . . 77 VAL HG2 . 11331 1 906 . 1 1 77 77 VAL C C 13 176.166 0.300 . 1 . . . . 77 VAL C . 11331 1 907 . 1 1 77 77 VAL CA C 13 62.520 0.300 . 1 . . . . 77 VAL CA . 11331 1 908 . 1 1 77 77 VAL CB C 13 32.567 0.300 . 1 . . . . 77 VAL CB . 11331 1 909 . 1 1 77 77 VAL CG1 C 13 20.907 0.300 . 2 . . . . 77 VAL CG1 . 11331 1 910 . 1 1 77 77 VAL CG2 C 13 21.040 0.300 . 2 . . . . 77 VAL CG2 . 11331 1 911 . 1 1 77 77 VAL N N 15 120.909 0.300 . 1 . . . . 77 VAL N . 11331 1 912 . 1 1 78 78 LYS H H 1 8.367 0.030 . 1 . . . . 78 LYS H . 11331 1 913 . 1 1 78 78 LYS HA H 1 4.379 0.030 . 1 . . . . 78 LYS HA . 11331 1 914 . 1 1 78 78 LYS HB2 H 1 1.765 0.030 . 1 . . . . 78 LYS HB2 . 11331 1 915 . 1 1 78 78 LYS HB3 H 1 1.765 0.030 . 1 . . . . 78 LYS HB3 . 11331 1 916 . 1 1 78 78 LYS HD2 H 1 1.693 0.030 . 1 . . . . 78 LYS HD2 . 11331 1 917 . 1 1 78 78 LYS HD3 H 1 1.693 0.030 . 1 . . . . 78 LYS HD3 . 11331 1 918 . 1 1 78 78 LYS HE2 H 1 2.975 0.030 . 1 . . . . 78 LYS HE2 . 11331 1 919 . 1 1 78 78 LYS HE3 H 1 2.975 0.030 . 1 . . . . 78 LYS HE3 . 11331 1 920 . 1 1 78 78 LYS HG2 H 1 1.414 0.030 . 1 . . . . 78 LYS HG2 . 11331 1 921 . 1 1 78 78 LYS HG3 H 1 1.414 0.030 . 1 . . . . 78 LYS HG3 . 11331 1 922 . 1 1 78 78 LYS C C 13 176.430 0.300 . 1 . . . . 78 LYS C . 11331 1 923 . 1 1 78 78 LYS CA C 13 56.183 0.300 . 1 . . . . 78 LYS CA . 11331 1 924 . 1 1 78 78 LYS CB C 13 32.991 0.300 . 1 . . . . 78 LYS CB . 11331 1 925 . 1 1 78 78 LYS CD C 13 29.049 0.300 . 1 . . . . 78 LYS CD . 11331 1 926 . 1 1 78 78 LYS CE C 13 42.209 0.300 . 1 . . . . 78 LYS CE . 11331 1 927 . 1 1 78 78 LYS CG C 13 24.772 0.300 . 1 . . . . 78 LYS CG . 11331 1 928 . 1 1 78 78 LYS N N 15 125.432 0.300 . 1 . . . . 78 LYS N . 11331 1 929 . 1 1 79 79 SER H H 1 8.321 0.030 . 1 . . . . 79 SER H . 11331 1 930 . 1 1 79 79 SER HA H 1 4.488 0.030 . 1 . . . . 79 SER HA . 11331 1 931 . 1 1 79 79 SER HB2 H 1 3.901 0.030 . 1 . . . . 79 SER HB2 . 11331 1 932 . 1 1 79 79 SER HB3 H 1 3.901 0.030 . 1 . . . . 79 SER HB3 . 11331 1 933 . 1 1 79 79 SER C C 13 174.490 0.300 . 1 . . . . 79 SER C . 11331 1 934 . 1 1 79 79 SER CA C 13 58.185 0.300 . 1 . . . . 79 SER CA . 11331 1 935 . 1 1 79 79 SER CB C 13 63.973 0.300 . 1 . . . . 79 SER CB . 11331 1 936 . 1 1 79 79 SER N N 15 117.371 0.300 . 1 . . . . 79 SER N . 11331 1 937 . 1 1 80 80 GLY H H 1 8.268 0.030 . 1 . . . . 80 GLY H . 11331 1 938 . 1 1 80 80 GLY HA2 H 1 4.120 0.030 . 1 . . . . 80 GLY HA2 . 11331 1 939 . 1 1 80 80 GLY HA3 H 1 4.120 0.030 . 1 . . . . 80 GLY HA3 . 11331 1 940 . 1 1 80 80 GLY C C 13 171.778 0.300 . 1 . . . . 80 GLY C . 11331 1 941 . 1 1 80 80 GLY CA C 13 44.657 0.300 . 1 . . . . 80 GLY CA . 11331 1 942 . 1 1 80 80 GLY N N 15 110.713 0.300 . 1 . . . . 80 GLY N . 11331 1 stop_ save_