data_34744 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34744 _Entry.Title ; NMR structure of holo-acp ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-08-01 _Entry.Accession_date 2022-08-01 _Entry.Last_release_date 2022-09-07 _Entry.Original_release_date 2022-09-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 S. Collin S. . . . 34744 2 K. Weissman K. J. . . 34744 3 B. Chagot B. . . . 34744 4 A. Gruez A. . . . 34744 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Acyl carrier protein' . 34744 TRANSFERASE . 34744 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34744 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 348 34744 '15N chemical shifts' 90 34744 '1H chemical shifts' 598 34744 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 . . 2023-03-14 . original BMRB . 34744 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8ALL 'BMRB Entry Tracking System' 34744 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34744 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR structure of holo-acp ; _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 0353 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Collin S. . . . 34744 1 2 K. Weissman K. J. . . 34744 1 3 B. Chagot B. . . . 34744 1 4 A. Gruez A. . . . 34744 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34744 _Assembly.ID 1 _Assembly.Name 'Hybrid polyketide synthase-non ribosomal peptide synthetase' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 unit_1 1 $entity_1 A A yes . . . . . . 34744 1 2 unit_2 2 $entity_PNS B A no . . . . . . 34744 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34744 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GPGSMYGEAVTEQLSRLVAG FVPDAAGSVDPDRTLLEHGI DSINLMNLRFEITERFGRTL PLQLLSESTVPVLAAHLSAD RAH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8938.062 _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 -6 GLY . 34744 1 2 -5 PRO . 34744 1 3 -4 GLY . 34744 1 4 -3 SER . 34744 1 5 -2 MET . 34744 1 6 -1 TYR . 34744 1 7 1874 GLY . 34744 1 8 1875 GLU . 34744 1 9 1876 ALA . 34744 1 10 1877 VAL . 34744 1 11 1878 THR . 34744 1 12 1879 GLU . 34744 1 13 1880 GLN . 34744 1 14 1881 LEU . 34744 1 15 1882 SER . 34744 1 16 1883 ARG . 34744 1 17 1884 LEU . 34744 1 18 1885 VAL . 34744 1 19 1886 ALA . 34744 1 20 1887 GLY . 34744 1 21 1888 PHE . 34744 1 22 1889 VAL . 34744 1 23 1890 PRO . 34744 1 24 1891 ASP . 34744 1 25 1892 ALA . 34744 1 26 1893 ALA . 34744 1 27 1894 GLY . 34744 1 28 1895 SER . 34744 1 29 1896 VAL . 34744 1 30 1897 ASP . 34744 1 31 1898 PRO . 34744 1 32 1899 ASP . 34744 1 33 1900 ARG . 34744 1 34 1901 THR . 34744 1 35 1902 LEU . 34744 1 36 1903 LEU . 34744 1 37 1904 GLU . 34744 1 38 1905 HIS . 34744 1 39 1906 GLY . 34744 1 40 1907 ILE . 34744 1 41 1908 ASP . 34744 1 42 1909 SER . 34744 1 43 1910 ILE . 34744 1 44 1911 ASN . 34744 1 45 1912 LEU . 34744 1 46 1913 MET . 34744 1 47 1914 ASN . 34744 1 48 1915 LEU . 34744 1 49 1916 ARG . 34744 1 50 1917 PHE . 34744 1 51 1918 GLU . 34744 1 52 1919 ILE . 34744 1 53 1920 THR . 34744 1 54 1921 GLU . 34744 1 55 1922 ARG . 34744 1 56 1923 PHE . 34744 1 57 1924 GLY . 34744 1 58 1925 ARG . 34744 1 59 1926 THR . 34744 1 60 1927 LEU . 34744 1 61 1928 PRO . 34744 1 62 1929 LEU . 34744 1 63 1930 GLN . 34744 1 64 1931 LEU . 34744 1 65 1932 LEU . 34744 1 66 1933 SER . 34744 1 67 1934 GLU . 34744 1 68 1935 SER . 34744 1 69 1936 THR . 34744 1 70 1937 VAL . 34744 1 71 1938 PRO . 34744 1 72 1939 VAL . 34744 1 73 1940 LEU . 34744 1 74 1941 ALA . 34744 1 75 1942 ALA . 34744 1 76 1943 HIS . 34744 1 77 1944 LEU . 34744 1 78 1945 SER . 34744 1 79 1946 ALA . 34744 1 80 1947 ASP . 34744 1 81 1948 ARG . 34744 1 82 1949 ALA . 34744 1 83 1950 HIS . 34744 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 34744 1 . PRO 2 2 34744 1 . GLY 3 3 34744 1 . SER 4 4 34744 1 . MET 5 5 34744 1 . TYR 6 6 34744 1 . GLY 7 7 34744 1 . GLU 8 8 34744 1 . ALA 9 9 34744 1 . VAL 10 10 34744 1 . THR 11 11 34744 1 . GLU 12 12 34744 1 . GLN 13 13 34744 1 . LEU 14 14 34744 1 . SER 15 15 34744 1 . ARG 16 16 34744 1 . LEU 17 17 34744 1 . VAL 18 18 34744 1 . ALA 19 19 34744 1 . GLY 20 20 34744 1 . PHE 21 21 34744 1 . VAL 22 22 34744 1 . PRO 23 23 34744 1 . ASP 24 24 34744 1 . ALA 25 25 34744 1 . ALA 26 26 34744 1 . GLY 27 27 34744 1 . SER 28 28 34744 1 . VAL 29 29 34744 1 . ASP 30 30 34744 1 . PRO 31 31 34744 1 . ASP 32 32 34744 1 . ARG 33 33 34744 1 . THR 34 34 34744 1 . LEU 35 35 34744 1 . LEU 36 36 34744 1 . GLU 37 37 34744 1 . HIS 38 38 34744 1 . GLY 39 39 34744 1 . ILE 40 40 34744 1 . ASP 41 41 34744 1 . SER 42 42 34744 1 . ILE 43 43 34744 1 . ASN 44 44 34744 1 . LEU 45 45 34744 1 . MET 46 46 34744 1 . ASN 47 47 34744 1 . LEU 48 48 34744 1 . ARG 49 49 34744 1 . PHE 50 50 34744 1 . GLU 51 51 34744 1 . ILE 52 52 34744 1 . THR 53 53 34744 1 . GLU 54 54 34744 1 . ARG 55 55 34744 1 . PHE 56 56 34744 1 . GLY 57 57 34744 1 . ARG 58 58 34744 1 . THR 59 59 34744 1 . LEU 60 60 34744 1 . PRO 61 61 34744 1 . LEU 62 62 34744 1 . GLN 63 63 34744 1 . LEU 64 64 34744 1 . LEU 65 65 34744 1 . SER 66 66 34744 1 . GLU 67 67 34744 1 . SER 68 68 34744 1 . THR 69 69 34744 1 . VAL 70 70 34744 1 . PRO 71 71 34744 1 . VAL 72 72 34744 1 . LEU 73 73 34744 1 . ALA 74 74 34744 1 . ALA 75 75 34744 1 . HIS 76 76 34744 1 . LEU 77 77 34744 1 . SER 78 78 34744 1 . ALA 79 79 34744 1 . ASP 80 80 34744 1 . ARG 81 81 34744 1 . ALA 82 82 34744 1 . HIS 83 83 34744 1 stop_ save_ save_entity_PNS _Entity.Sf_category entity _Entity.Sf_framecode entity_PNS _Entity.Entry_ID 34744 _Entity.ID 2 _Entity.BMRB_code PNS _Entity.Name entity_PNS _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID PNS _Entity.Nonpolymer_comp_label $chem_comp_PNS _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 358.348 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 4'-PHOSPHOPANTETHEINE BMRB 34744 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 4'-PHOSPHOPANTETHEINE BMRB 34744 2 PNS 'Three letter code' 34744 2 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 1 PNS $chem_comp_PNS 34744 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 34744 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1961 organism . 'Streptomyces virginiae' 'Streptomyces virginiae' . . Bacteria . Streptomyces virginiae . . . . . . . . . . . virG . 34744 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 34744 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34744 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PNS _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PNS _Chem_comp.Entry_ID 34744 _Chem_comp.ID PNS _Chem_comp.Provenance PDB _Chem_comp.Name 4'-PHOSPHOPANTETHEINE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PNS _Chem_comp.PDB_code PNS _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PNS _Chem_comp.Number_atoms_all 45 _Chem_comp.Number_atoms_nh 22 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1 ; _Chem_comp.Mon_nstd_flag no _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C11 H23 N2 O7 P S' _Chem_comp.Formula_weight 358.348 _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 EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCS)O SMILES 'OpenEye OEToolkits' 1.5.0 34744 PNS CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34744 PNS CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCS SMILES_CANONICAL CACTVS 3.341 34744 PNS CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCCS SMILES CACTVS 3.341 34744 PNS ; InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1 ; InChI InChI 1.03 34744 PNS JDMUPRLRUUMCTL-VIFPVBQESA-N InChIKey InChI 1.03 34744 PNS O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O SMILES ACDLabs 10.04 34744 PNS 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 N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide 'SYSTEMATIC NAME' ACDLabs 10.04 34744 PNS '[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34744 PNS 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 O23 O23 O23 O23 . O . . N 0 . . . 1 N N . . . . 15.870 . 21.360 . 34.987 . 3.289 -0.662 4.804 1 . 34744 PNS P24 P24 P24 P24 . P . . N 0 . . . 1 N N . . . . 15.798 . 22.494 . 33.901 . 2.094 0.159 4.105 2 . 34744 PNS O25 O25 O25 O25 . O . . N 0 . . . 1 N N . . . . 17.124 . 23.240 . 33.748 . 2.606 0.763 2.703 3 . 34744 PNS O26 O26 O26 O26 . O . . N 0 . . . 1 N N . . . . 15.308 . 21.923 . 32.562 . 1.669 1.264 4.993 4 . 34744 PNS O27 O27 O27 O27 . O . . N 0 . . . 1 N N . . . . 14.706 . 23.477 . 34.569 . 0.848 -0.826 3.840 5 . 34744 PNS C28 C28 C28 C28 . C . . N 0 . . . 1 N N . . . . 14.144 . 24.496 . 33.763 . -0.174 -0.042 3.222 6 . 34744 PNS C29 C29 C29 C29 . C . . N 0 . . . 1 N N . . . . 12.623 . 24.578 . 34.014 . -1.393 -0.924 2.942 7 . 34744 PNS C30 C30 C30 C30 . C . . N 0 . . . 1 N N . . . . 11.988 . 23.181 . 33.695 . -0.991 -2.068 2.009 8 . 34744 PNS C31 C31 C31 C31 . C . . N 0 . . . 1 N N . . . . 12.389 . 24.955 . 35.530 . -1.918 -1.500 4.258 9 . 34744 PNS C32 C32 C32 C32 . C . . R 0 . . . 1 N N . . . . 12.097 . 25.714 . 33.043 . -2.487 -0.085 2.280 10 . 34744 PNS O33 O33 O33 O33 . O . . N 0 . . . 1 N N . . . . 12.433 . 25.427 . 31.655 . -2.958 0.898 3.203 11 . 34744 PNS C34 C34 C34 C34 . C . . N 0 . . . 1 N N . . . . 10.554 . 25.930 . 33.179 . -1.927 0.598 1.059 12 . 34744 PNS O35 O35 O35 O35 . O . . N 0 . . . 1 N N . . . . 10.135 . 26.720 . 34.084 . -1.748 1.798 1.065 13 . 34744 PNS N36 N36 N36 N36 . N . . N 0 . . . 1 N N . . . . 9.751 . 25.247 . 32.313 . -1.624 -0.122 -0.037 14 . 34744 PNS C37 C37 C37 C37 . C . . N 0 . . . 1 N N . . . . 8.273 . 25.359 . 32.333 . -1.156 0.552 -1.251 15 . 34744 PNS C38 C38 C38 C38 . C . . N 0 . . . 1 N N . . . . 7.845 . 26.331 . 31.204 . -0.885 -0.487 -2.340 16 . 34744 PNS C39 C39 C39 C39 . C . . N 0 . . . 1 N N . . . . 8.164 . 27.779 . 31.584 . -0.403 0.206 -3.588 17 . 34744 PNS O40 O40 O40 O40 . O . . N 0 . . . 1 N N . . . . 7.379 . 28.487 . 32.525 . -0.287 1.413 -3.604 18 . 34744 PNS N41 N41 N41 N41 . N . . N 0 . . . 1 N N . . . . 9.212 . 28.342 . 31.002 . -0.100 -0.515 -4.686 19 . 34744 PNS C42 C42 C42 C42 . C . . N 0 . . . 1 N N . . . . 9.667 . 29.771 . 31.264 . 0.367 0.159 -5.899 20 . 34744 PNS C43 C43 C43 C43 . C . . N 0 . . . 1 N N . . . . 10.659 . 29.753 . 32.326 . 0.638 -0.880 -6.988 21 . 34744 PNS S44 S44 S44 S44 . S . . N 0 . . . 1 N N . . . . 11.133 . 31.424 . 32.562 . 1.218 -0.045 -8.490 22 . 34744 PNS HOP1 HOP1 HOP1 1HOP . H . . N 0 . . . 0 N N . . . . 15.046 . 20.896 . 35.082 . 4.013 -0.037 4.944 23 . 34744 PNS HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 N N . . . . 17.080 . 23.925 . 33.091 . 2.873 0.012 2.156 24 . 34744 PNS H282 H282 H282 2H28 . H . . N 0 . . . 0 N N . . . . 14.648 . 25.478 . 33.915 . 0.200 0.367 2.284 25 . 34744 PNS H281 H281 H281 1H28 . H . . N 0 . . . 0 N N . . . . 14.384 . 24.358 . 32.683 . -0.459 0.772 3.887 26 . 34744 PNS H303 H303 H303 3H30 . H . . N 0 . . . 0 N N . . . . 10.889 . 23.240 . 33.876 . -0.504 -1.660 1.123 27 . 34744 PNS H302 H302 H302 2H30 . H . . N 0 . . . 0 N N . . . . 12.232 . 22.824 . 32.667 . -0.304 -2.736 2.527 28 . 34744 PNS H301 H301 H301 1H30 . H . . N 0 . . . 0 N N . . . . 12.470 . 22.352 . 34.263 . -1.881 -2.622 1.710 29 . 34744 PNS H313 H313 H313 3H31 . H . . N 0 . . . 0 N N . . . . 11.290 . 25.014 . 35.711 . -2.266 -0.688 4.897 30 . 34744 PNS H312 H312 H312 2H31 . H . . N 0 . . . 0 N N . . . . 12.902 . 24.255 . 36.230 . -2.744 -2.181 4.053 31 . 34744 PNS H311 H311 H311 1H31 . H . . N 0 . . . 0 N N . . . . 12.923 . 25.886 . 35.827 . -1.118 -2.041 4.763 32 . 34744 PNS H32 H32 H32 H32 . H . . N 0 . . . 1 N N . . . . 12.610 . 26.654 . 33.349 . -3.313 -0.732 1.986 33 . 34744 PNS H33 H33 H33 H33 . H . . N 0 . . . 1 N N . . . . 12.117 . 26.108 . 31.072 . -2.198 1.448 3.437 34 . 34744 PNS H36 H36 H36 H36 . H . . N 0 . . . 1 N N . . . . 10.254 . 24.654 . 31.652 . -1.716 -1.087 -0.024 35 . 34744 PNS H372 H372 H372 2H37 . H . . N 0 . . . 0 N N . . . . 7.766 . 24.368 . 32.262 . -1.918 1.250 -1.596 36 . 34744 PNS H371 H371 H371 1H37 . H . . N 0 . . . 0 N N . . . . 7.878 . 25.659 . 33.331 . -0.237 1.096 -1.032 37 . 34744 PNS H382 H382 H382 2H38 . H . . N 0 . . . 0 N N . . . . 8.299 . 26.051 . 30.224 . -0.122 -1.185 -1.994 38 . 34744 PNS H381 H381 H381 1H38 . H . . N 0 . . . 0 N N . . . . 6.770 . 26.202 . 30.933 . -1.803 -1.032 -2.559 39 . 34744 PNS H41 H41 H41 H41 . H . . N 0 . . . 1 N N . . . . 9.661 . 27.686 . 30.362 . -0.193 -1.480 -4.672 40 . 34744 PNS H422 H422 H422 2H42 . H . . N 0 . . . 0 N N . . . . 10.036 . 30.277 . 30.342 . -0.395 0.857 -6.244 41 . 34744 PNS H421 H421 H421 1H42 . H . . N 0 . . . 0 N N . . . . 8.816 . 30.456 . 31.485 . 1.286 0.704 -5.680 42 . 34744 PNS H431 H431 H431 1H43 . H . . N 0 . . . 0 N N . . . . 10.306 . 29.252 . 33.258 . 1.401 -1.578 -6.643 43 . 34744 PNS H432 H432 H432 2H43 . H . . N 0 . . . 0 N N . . . . 11.516 . 29.069 . 32.124 . -0.280 -1.425 -7.207 44 . 34744 PNS H44 H44 H44 H44 . H . . N 0 . . . 1 N N . . . . 11.781 . 31.412 . 33.256 . 1.392 -1.108 -9.296 45 . 34744 PNS stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O23 P24 N N 1 . 34744 PNS 2 . SING O23 HOP1 N N 2 . 34744 PNS 3 . SING P24 O25 N N 3 . 34744 PNS 4 . DOUB P24 O26 N N 4 . 34744 PNS 5 . SING P24 O27 N N 5 . 34744 PNS 6 . SING O25 HOP2 N N 6 . 34744 PNS 7 . SING O27 C28 N N 7 . 34744 PNS 8 . SING C28 C29 N N 8 . 34744 PNS 9 . SING C28 H282 N N 9 . 34744 PNS 10 . SING C28 H281 N N 10 . 34744 PNS 11 . SING C29 C30 N N 11 . 34744 PNS 12 . SING C29 C31 N N 12 . 34744 PNS 13 . SING C29 C32 N N 13 . 34744 PNS 14 . SING C30 H303 N N 14 . 34744 PNS 15 . SING C30 H302 N N 15 . 34744 PNS 16 . SING C30 H301 N N 16 . 34744 PNS 17 . SING C31 H313 N N 17 . 34744 PNS 18 . SING C31 H312 N N 18 . 34744 PNS 19 . SING C31 H311 N N 19 . 34744 PNS 20 . SING C32 O33 N N 20 . 34744 PNS 21 . SING C32 C34 N N 21 . 34744 PNS 22 . SING C32 H32 N N 22 . 34744 PNS 23 . SING O33 H33 N N 23 . 34744 PNS 24 . DOUB C34 O35 N N 24 . 34744 PNS 25 . SING C34 N36 N N 25 . 34744 PNS 26 . SING N36 C37 N N 26 . 34744 PNS 27 . SING N36 H36 N N 27 . 34744 PNS 28 . SING C37 C38 N N 28 . 34744 PNS 29 . SING C37 H372 N N 29 . 34744 PNS 30 . SING C37 H371 N N 30 . 34744 PNS 31 . SING C38 C39 N N 31 . 34744 PNS 32 . SING C38 H382 N N 32 . 34744 PNS 33 . SING C38 H381 N N 33 . 34744 PNS 34 . DOUB C39 O40 N N 34 . 34744 PNS 35 . SING C39 N41 N N 35 . 34744 PNS 36 . SING N41 C42 N N 36 . 34744 PNS 37 . SING N41 H41 N N 37 . 34744 PNS 38 . SING C42 C43 N N 38 . 34744 PNS 39 . SING C42 H422 N N 39 . 34744 PNS 40 . SING C42 H421 N N 40 . 34744 PNS 41 . SING C43 S44 N N 41 . 34744 PNS 42 . SING C43 H431 N N 42 . 34744 PNS 43 . SING C43 H432 N N 43 . 34744 PNS 44 . SING S44 H44 N N 44 . 34744 PNS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34744 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.6 mM [U-100% 13C; U-100% 15N] Hybrid polyketide synthase-non ribosomal peptide synthetase ACP7, 100 mM sodium phosphate, 1 mM TCEP, 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 'Hybrid polyketide synthase-non ribosomal peptide synthetase ACP7' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.6 . . mM . . . . 34744 1 2 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 34744 1 3 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 34744 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34744 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.1 . M 34744 1 pH 7 . pH 34744 1 pressure 1 . atm 34744 1 temperature 298 . K 34744 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34744 _Software.ID 1 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34744 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34744 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34744 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34744 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34744 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34744 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee W, Tonelli M, Markley JL' . . 34744 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34744 3 'peak picking' . 34744 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34744 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34744 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34744 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 34744 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34744 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34744 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34744 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34744 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34744 1 6 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34744 1 7 '3D CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34744 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34744 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34744 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34744 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34744 1 12 '2D 1H(C12 N14)-1H(C12 N14) NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34744 1 13 '2D 1H-1H(C12 N14) NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34744 1 14 '2D 1H(C12 N14) -1H(C12 N14) TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34744 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34744 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . 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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34744 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34744 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34744 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_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34744 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_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 '2D 1H-13C HSQC' . . . 34744 1 2 '2D 1H-15N HSQC' . . . 34744 1 3 '3D HNCO' . . . 34744 1 4 '3D HNCACB' . . . 34744 1 5 '3D HNCA' . . . 34744 1 6 '3D HNHA' . . . 34744 1 7 '3D CCH-TOCSY' . . . 34744 1 8 '3D HCCH-TOCSY' . . . 34744 1 9 '3D 1H-13C NOESY aromatic' . . . 34744 1 10 '3D 1H-13C NOESY' . . . 34744 1 11 '3D 1H-15N NOESY' . . . 34744 1 12 '2D 1H(C12 N14)-1H(C12 N14) NOESY' . . . 34744 1 13 '2D 1H-1H(C12 N14) NOESY' . . . 34744 1 14 '2D 1H(C12 N14) -1H(C12 N14) TOCSY' . . . 34744 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 1 1 GLY HA2 H 1 3.929 0.000 . 2 . . . . A -6 GLY HA2 . 34744 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.929 0.000 . 2 . . . . A -6 GLY HA3 . 34744 1 3 . 1 . 1 1 1 GLY CA C 13 43.360 0.000 . 1 . . . . A -6 GLY CA . 34744 1 4 . 1 . 1 2 2 PRO HA H 1 4.424 0.001 . 1 . . . . A -5 PRO HA . 34744 1 5 . 1 . 1 2 2 PRO HB2 H 1 2.250 0.002 . 2 . . . . A -5 PRO HB2 . 34744 1 6 . 1 . 1 2 2 PRO HB3 H 1 1.946 0.006 . 2 . . . . A -5 PRO HB3 . 34744 1 7 . 1 . 1 2 2 PRO HG2 H 1 1.977 0.002 . 2 . . . . A -5 PRO HG2 . 34744 1 8 . 1 . 1 2 2 PRO HG3 H 1 1.977 0.002 . 2 . . . . A -5 PRO HG3 . 34744 1 9 . 1 . 1 2 2 PRO HD2 H 1 3.562 0.001 . 2 . . . . A -5 PRO HD2 . 34744 1 10 . 1 . 1 2 2 PRO HD3 H 1 3.524 0.001 . 2 . . . . A -5 PRO HD3 . 34744 1 11 . 1 . 1 2 2 PRO C C 13 177.439 0.049 . 1 . . . . A -5 PRO C . 34744 1 12 . 1 . 1 2 2 PRO CA C 13 63.450 0.035 . 1 . . . . A -5 PRO CA . 34744 1 13 . 1 . 1 2 2 PRO CB C 13 32.082 0.050 . 1 . . . . A -5 PRO CB . 34744 1 14 . 1 . 1 2 2 PRO CG C 13 27.049 0.037 . 1 . . . . A -5 PRO CG . 34744 1 15 . 1 . 1 2 2 PRO CD C 13 49.588 0.016 . 1 . . . . A -5 PRO CD . 34744 1 16 . 1 . 1 3 3 GLY H H 1 8.650 0.000 . 1 . . . . A -4 GLY H . 34744 1 17 . 1 . 1 3 3 GLY HA2 H 1 3.942 0.000 . 2 . . . . A -4 GLY HA2 . 34744 1 18 . 1 . 1 3 3 GLY HA3 H 1 3.942 0.000 . 2 . . . . A -4 GLY HA3 . 34744 1 19 . 1 . 1 3 3 GLY C C 13 174.334 0.000 . 1 . . . . A -4 GLY C . 34744 1 20 . 1 . 1 3 3 GLY CA C 13 45.291 0.033 . 1 . . . . A -4 GLY CA . 34744 1 21 . 1 . 1 3 3 GLY N N 15 109.814 0.000 . 1 . . . . A -4 GLY N . 34744 1 22 . 1 . 1 4 4 SER H H 1 8.174 0.000 . 1 . . . . A -3 SER H . 34744 1 23 . 1 . 1 4 4 SER HA H 1 4.393 0.002 . 1 . . . . A -3 SER HA . 34744 1 24 . 1 . 1 4 4 SER HB2 H 1 3.800 0.000 . 2 . . . . A -3 SER HB2 . 34744 1 25 . 1 . 1 4 4 SER HB3 H 1 3.800 0.000 . 2 . . . . A -3 SER HB3 . 34744 1 26 . 1 . 1 4 4 SER C C 13 174.884 0.000 . 1 . . . . A -3 SER C . 34744 1 27 . 1 . 1 4 4 SER CA C 13 58.531 0.038 . 1 . . . . A -3 SER CA . 34744 1 28 . 1 . 1 4 4 SER CB C 13 63.850 0.005 . 1 . . . . A -3 SER CB . 34744 1 29 . 1 . 1 4 4 SER N N 15 115.635 0.000 . 1 . . . . A -3 SER N . 34744 1 30 . 1 . 1 5 5 MET H H 1 8.468 0.000 . 1 . . . . A -2 MET H . 34744 1 31 . 1 . 1 5 5 MET HA H 1 4.380 0.005 . 1 . . . . A -2 MET HA . 34744 1 32 . 1 . 1 5 5 MET HB2 H 1 1.898 0.003 . 2 . . . . A -2 MET HB2 . 34744 1 33 . 1 . 1 5 5 MET HB3 H 1 1.898 0.003 . 2 . . . . A -2 MET HB3 . 34744 1 34 . 1 . 1 5 5 MET HG2 H 1 2.406 0.003 . 2 . . . . A -2 MET HG2 . 34744 1 35 . 1 . 1 5 5 MET HG3 H 1 2.345 0.005 . 2 . . . . A -2 MET HG3 . 34744 1 36 . 1 . 1 5 5 MET HE1 H 1 1.985 0.000 . 1 . . . . A -2 MET HE1 . 34744 1 37 . 1 . 1 5 5 MET HE2 H 1 1.985 0.000 . 1 . . . . A -2 MET HE2 . 34744 1 38 . 1 . 1 5 5 MET HE3 H 1 1.985 0.000 . 1 . . . . A -2 MET HE3 . 34744 1 39 . 1 . 1 5 5 MET C C 13 176.280 0.000 . 1 . . . . A -2 MET C . 34744 1 40 . 1 . 1 5 5 MET CA C 13 55.974 0.047 . 1 . . . . A -2 MET CA . 34744 1 41 . 1 . 1 5 5 MET CB C 13 32.592 0.031 . 1 . . . . A -2 MET CB . 34744 1 42 . 1 . 1 5 5 MET CG C 13 31.797 0.020 . 1 . . . . A -2 MET CG . 34744 1 43 . 1 . 1 5 5 MET CE C 13 16.825 0.000 . 1 . . . . A -2 MET CE . 34744 1 44 . 1 . 1 5 5 MET N N 15 122.208 0.000 . 1 . . . . A -2 MET N . 34744 1 45 . 1 . 1 6 6 TYR H H 1 8.188 0.000 . 1 . . . . A -1 TYR H . 34744 1 46 . 1 . 1 6 6 TYR HA H 1 4.530 0.003 . 1 . . . . A -1 TYR HA . 34744 1 47 . 1 . 1 6 6 TYR HB2 H 1 3.053 0.004 . 2 . . . . A -1 TYR HB2 . 34744 1 48 . 1 . 1 6 6 TYR HB3 H 1 2.921 0.007 . 2 . . . . A -1 TYR HB3 . 34744 1 49 . 1 . 1 6 6 TYR HD1 H 1 7.080 0.002 . 1 . . . . A -1 TYR HD1 . 34744 1 50 . 1 . 1 6 6 TYR HD2 H 1 7.080 0.002 . 1 . . . . A -1 TYR HD2 . 34744 1 51 . 1 . 1 6 6 TYR HE1 H 1 6.782 0.002 . 1 . . . . A -1 TYR HE1 . 34744 1 52 . 1 . 1 6 6 TYR HE2 H 1 6.782 0.002 . 1 . . . . A -1 TYR HE2 . 34744 1 53 . 1 . 1 6 6 TYR C C 13 176.551 0.000 . 1 . . . . A -1 TYR C . 34744 1 54 . 1 . 1 6 6 TYR CA C 13 58.379 0.078 . 1 . . . . A -1 TYR CA . 34744 1 55 . 1 . 1 6 6 TYR CB C 13 38.680 0.040 . 1 . . . . A -1 TYR CB . 34744 1 56 . 1 . 1 6 6 TYR CD1 C 13 133.118 0.000 . 1 . . . . A -1 TYR CD1 . 34744 1 57 . 1 . 1 6 6 TYR CE1 C 13 118.212 0.000 . 1 . . . . A -1 TYR CE1 . 34744 1 58 . 1 . 1 6 6 TYR N N 15 120.579 0.000 . 1 . . . . A -1 TYR N . 34744 1 59 . 1 . 1 7 7 GLY H H 1 8.380 0.000 . 1 . . . . A 1874 GLY H . 34744 1 60 . 1 . 1 7 7 GLY HA2 H 1 3.893 0.003 . 2 . . . . A 1874 GLY HA2 . 34744 1 61 . 1 . 1 7 7 GLY HA3 H 1 3.775 0.002 . 2 . . . . A 1874 GLY HA3 . 34744 1 62 . 1 . 1 7 7 GLY C C 13 175.118 0.000 . 1 . . . . A 1874 GLY C . 34744 1 63 . 1 . 1 7 7 GLY CA C 13 45.971 0.037 . 1 . . . . A 1874 GLY CA . 34744 1 64 . 1 . 1 7 7 GLY N N 15 109.476 0.002 . 1 . . . . A 1874 GLY N . 34744 1 65 . 1 . 1 8 8 GLU H H 1 8.236 0.000 . 1 . . . . A 1875 GLU H . 34744 1 66 . 1 . 1 8 8 GLU HA H 1 4.183 0.006 . 1 . . . . A 1875 GLU HA . 34744 1 67 . 1 . 1 8 8 GLU HB2 H 1 2.053 0.002 . 2 . . . . A 1875 GLU HB2 . 34744 1 68 . 1 . 1 8 8 GLU HB3 H 1 1.971 0.003 . 2 . . . . A 1875 GLU HB3 . 34744 1 69 . 1 . 1 8 8 GLU HG2 H 1 2.266 0.003 . 2 . . . . A 1875 GLU HG2 . 34744 1 70 . 1 . 1 8 8 GLU HG3 H 1 2.266 0.003 . 2 . . . . A 1875 GLU HG3 . 34744 1 71 . 1 . 1 8 8 GLU C C 13 177.270 0.000 . 1 . . . . A 1875 GLU C . 34744 1 72 . 1 . 1 8 8 GLU CA C 13 57.471 0.119 . 1 . . . . A 1875 GLU CA . 34744 1 73 . 1 . 1 8 8 GLU CB C 13 30.124 0.041 . 1 . . . . A 1875 GLU CB . 34744 1 74 . 1 . 1 8 8 GLU CG C 13 36.265 0.073 . 1 . . . . A 1875 GLU CG . 34744 1 75 . 1 . 1 8 8 GLU N N 15 121.581 0.000 . 1 . . . . A 1875 GLU N . 34744 1 76 . 1 . 1 9 9 ALA H H 1 8.323 0.000 . 1 . . . . A 1876 ALA H . 34744 1 77 . 1 . 1 9 9 ALA HA H 1 4.301 0.002 . 1 . . . . A 1876 ALA HA . 34744 1 78 . 1 . 1 9 9 ALA HB1 H 1 1.470 0.002 . 1 . . . . A 1876 ALA HB1 . 34744 1 79 . 1 . 1 9 9 ALA HB2 H 1 1.470 0.002 . 1 . . . . A 1876 ALA HB2 . 34744 1 80 . 1 . 1 9 9 ALA HB3 H 1 1.470 0.002 . 1 . . . . A 1876 ALA HB3 . 34744 1 81 . 1 . 1 9 9 ALA C C 13 179.656 0.000 . 1 . . . . A 1876 ALA C . 34744 1 82 . 1 . 1 9 9 ALA CA C 13 53.839 0.029 . 1 . . . . A 1876 ALA CA . 34744 1 83 . 1 . 1 9 9 ALA CB C 13 18.591 0.023 . 1 . . . . A 1876 ALA CB . 34744 1 84 . 1 . 1 9 9 ALA N N 15 124.603 0.000 . 1 . . . . A 1876 ALA N . 34744 1 85 . 1 . 1 10 10 VAL H H 1 8.308 0.000 . 1 . . . . A 1877 VAL H . 34744 1 86 . 1 . 1 10 10 VAL HA H 1 3.728 0.001 . 1 . . . . A 1877 VAL HA . 34744 1 87 . 1 . 1 10 10 VAL HB H 1 1.995 0.001 . 1 . . . . A 1877 VAL HB . 34744 1 88 . 1 . 1 10 10 VAL HG11 H 1 0.724 0.001 . 2 . . . . A 1877 VAL HG11 . 34744 1 89 . 1 . 1 10 10 VAL HG12 H 1 0.724 0.001 . 2 . . . . A 1877 VAL HG12 . 34744 1 90 . 1 . 1 10 10 VAL HG13 H 1 0.724 0.001 . 2 . . . . A 1877 VAL HG13 . 34744 1 91 . 1 . 1 10 10 VAL HG21 H 1 0.905 0.001 . 2 . . . . A 1877 VAL HG21 . 34744 1 92 . 1 . 1 10 10 VAL HG22 H 1 0.905 0.001 . 2 . . . . A 1877 VAL HG22 . 34744 1 93 . 1 . 1 10 10 VAL HG23 H 1 0.905 0.001 . 2 . . . . A 1877 VAL HG23 . 34744 1 94 . 1 . 1 10 10 VAL C C 13 177.521 0.000 . 1 . . . . A 1877 VAL C . 34744 1 95 . 1 . 1 10 10 VAL CA C 13 66.318 0.034 . 1 . . . . A 1877 VAL CA . 34744 1 96 . 1 . 1 10 10 VAL CB C 13 31.457 0.048 . 1 . . . . A 1877 VAL CB . 34744 1 97 . 1 . 1 10 10 VAL CG1 C 13 21.347 0.032 . 1 . . . . A 1877 VAL CG1 . 34744 1 98 . 1 . 1 10 10 VAL CG2 C 13 22.683 0.052 . 1 . . . . A 1877 VAL CG2 . 34744 1 99 . 1 . 1 10 10 VAL N N 15 119.920 0.011 . 1 . . . . A 1877 VAL N . 34744 1 100 . 1 . 1 11 11 THR H H 1 8.017 0.000 . 1 . . . . A 1878 THR H . 34744 1 101 . 1 . 1 11 11 THR HA H 1 3.470 0.002 . 1 . . . . A 1878 THR HA . 34744 1 102 . 1 . 1 11 11 THR HB H 1 4.116 0.002 . 1 . . . . A 1878 THR HB . 34744 1 103 . 1 . 1 11 11 THR HG21 H 1 1.047 0.001 . 1 . . . . A 1878 THR HG21 . 34744 1 104 . 1 . 1 11 11 THR HG22 H 1 1.047 0.001 . 1 . . . . A 1878 THR HG22 . 34744 1 105 . 1 . 1 11 11 THR HG23 H 1 1.047 0.001 . 1 . . . . A 1878 THR HG23 . 34744 1 106 . 1 . 1 11 11 THR C C 13 176.465 0.000 . 1 . . . . A 1878 THR C . 34744 1 107 . 1 . 1 11 11 THR CA C 13 67.384 0.083 . 1 . . . . A 1878 THR CA . 34744 1 108 . 1 . 1 11 11 THR CB C 13 67.691 0.048 . 1 . . . . A 1878 THR CB . 34744 1 109 . 1 . 1 11 11 THR CG2 C 13 22.092 0.044 . 1 . . . . A 1878 THR CG2 . 34744 1 110 . 1 . 1 11 11 THR N N 15 115.444 0.000 . 1 . . . . A 1878 THR N . 34744 1 111 . 1 . 1 12 12 GLU H H 1 7.822 0.000 . 1 . . . . A 1879 GLU H . 34744 1 112 . 1 . 1 12 12 GLU HA H 1 4.042 0.004 . 1 . . . . A 1879 GLU HA . 34744 1 113 . 1 . 1 12 12 GLU HB2 H 1 2.105 0.001 . 2 . . . . A 1879 GLU HB2 . 34744 1 114 . 1 . 1 12 12 GLU HB3 H 1 2.075 0.003 . 2 . . . . A 1879 GLU HB3 . 34744 1 115 . 1 . 1 12 12 GLU HG2 H 1 2.266 0.001 . 2 . . . . A 1879 GLU HG2 . 34744 1 116 . 1 . 1 12 12 GLU HG3 H 1 2.266 0.001 . 2 . . . . A 1879 GLU HG3 . 34744 1 117 . 1 . 1 12 12 GLU C C 13 178.874 0.000 . 1 . . . . A 1879 GLU C . 34744 1 118 . 1 . 1 12 12 GLU CA C 13 59.606 0.045 . 1 . . . . A 1879 GLU CA . 34744 1 119 . 1 . 1 12 12 GLU CB C 13 29.329 0.046 . 1 . . . . A 1879 GLU CB . 34744 1 120 . 1 . 1 12 12 GLU CG C 13 36.195 0.033 . 1 . . . . A 1879 GLU CG . 34744 1 121 . 1 . 1 12 12 GLU N N 15 122.765 0.005 . 1 . . . . A 1879 GLU N . 34744 1 122 . 1 . 1 13 13 GLN H H 1 8.153 0.000 . 1 . . . . A 1880 GLN H . 34744 1 123 . 1 . 1 13 13 GLN HA H 1 3.998 0.002 . 1 . . . . A 1880 GLN HA . 34744 1 124 . 1 . 1 13 13 GLN HB2 H 1 2.269 0.005 . 2 . . . . A 1880 GLN HB2 . 34744 1 125 . 1 . 1 13 13 GLN HB3 H 1 2.168 0.003 . 2 . . . . A 1880 GLN HB3 . 34744 1 126 . 1 . 1 13 13 GLN HG2 H 1 2.534 0.002 . 2 . . . . A 1880 GLN HG2 . 34744 1 127 . 1 . 1 13 13 GLN HG3 H 1 2.348 0.004 . 2 . . . . A 1880 GLN HG3 . 34744 1 128 . 1 . 1 13 13 GLN HE21 H 1 7.318 0.000 . 2 . . . . A 1880 GLN HE21 . 34744 1 129 . 1 . 1 13 13 GLN HE22 H 1 6.770 0.000 . 2 . . . . A 1880 GLN HE22 . 34744 1 130 . 1 . 1 13 13 GLN C C 13 179.827 0.000 . 1 . . . . A 1880 GLN C . 34744 1 131 . 1 . 1 13 13 GLN CA C 13 59.052 0.038 . 1 . . . . A 1880 GLN CA . 34744 1 132 . 1 . 1 13 13 GLN CB C 13 29.144 0.087 . 1 . . . . A 1880 GLN CB . 34744 1 133 . 1 . 1 13 13 GLN CG C 13 34.125 0.013 . 1 . . . . A 1880 GLN CG . 34744 1 134 . 1 . 1 13 13 GLN N N 15 118.584 0.000 . 1 . . . . A 1880 GLN N . 34744 1 135 . 1 . 1 13 13 GLN NE2 N 15 110.669 0.001 . 1 . . . . A 1880 GLN NE2 . 34744 1 136 . 1 . 1 14 14 LEU H H 1 9.006 0.000 . 1 . . . . A 1881 LEU H . 34744 1 137 . 1 . 1 14 14 LEU HA H 1 4.143 0.002 . 1 . . . . A 1881 LEU HA . 34744 1 138 . 1 . 1 14 14 LEU HB2 H 1 1.433 0.002 . 2 . . . . A 1881 LEU HB2 . 34744 1 139 . 1 . 1 14 14 LEU HB3 H 1 1.586 0.004 . 2 . . . . A 1881 LEU HB3 . 34744 1 140 . 1 . 1 14 14 LEU HG H 1 1.524 0.004 . 1 . . . . A 1881 LEU HG . 34744 1 141 . 1 . 1 14 14 LEU HD11 H 1 0.677 0.003 . 2 . . . . A 1881 LEU HD11 . 34744 1 142 . 1 . 1 14 14 LEU HD12 H 1 0.677 0.003 . 2 . . . . A 1881 LEU HD12 . 34744 1 143 . 1 . 1 14 14 LEU HD13 H 1 0.677 0.003 . 2 . . . . A 1881 LEU HD13 . 34744 1 144 . 1 . 1 14 14 LEU HD21 H 1 0.650 0.000 . 2 . . . . A 1881 LEU HD21 . 34744 1 145 . 1 . 1 14 14 LEU HD22 H 1 0.650 0.000 . 2 . . . . A 1881 LEU HD22 . 34744 1 146 . 1 . 1 14 14 LEU HD23 H 1 0.650 0.000 . 2 . . . . A 1881 LEU HD23 . 34744 1 147 . 1 . 1 14 14 LEU C C 13 178.167 0.000 . 1 . . . . A 1881 LEU C . 34744 1 148 . 1 . 1 14 14 LEU CA C 13 57.552 0.043 . 1 . . . . A 1881 LEU CA . 34744 1 149 . 1 . 1 14 14 LEU CB C 13 42.055 0.026 . 1 . . . . A 1881 LEU CB . 34744 1 150 . 1 . 1 14 14 LEU CG C 13 26.627 0.000 . 1 . . . . A 1881 LEU CG . 34744 1 151 . 1 . 1 14 14 LEU CD1 C 13 23.894 0.025 . 1 . . . . A 1881 LEU CD1 . 34744 1 152 . 1 . 1 14 14 LEU CD2 C 13 25.570 0.063 . 1 . . . . A 1881 LEU CD2 . 34744 1 153 . 1 . 1 14 14 LEU N N 15 120.392 0.000 . 1 . . . . A 1881 LEU N . 34744 1 154 . 1 . 1 15 15 SER H H 1 8.507 0.000 . 1 . . . . A 1882 SER H . 34744 1 155 . 1 . 1 15 15 SER HA H 1 3.871 0.000 . 1 . . . . A 1882 SER HA . 34744 1 156 . 1 . 1 15 15 SER HB2 H 1 4.032 0.000 . 2 . . . . A 1882 SER HB2 . 34744 1 157 . 1 . 1 15 15 SER HB3 H 1 3.902 0.000 . 2 . . . . A 1882 SER HB3 . 34744 1 158 . 1 . 1 15 15 SER C C 13 175.964 0.000 . 1 . . . . A 1882 SER C . 34744 1 159 . 1 . 1 15 15 SER CA C 13 63.029 0.094 . 1 . . . . A 1882 SER CA . 34744 1 160 . 1 . 1 15 15 SER CB C 13 62.817 0.006 . 1 . . . . A 1882 SER CB . 34744 1 161 . 1 . 1 15 15 SER N N 15 115.596 0.000 . 1 . . . . A 1882 SER N . 34744 1 162 . 1 . 1 16 16 ARG H H 1 7.628 0.000 . 1 . . . . A 1883 ARG H . 34744 1 163 . 1 . 1 16 16 ARG HA H 1 4.001 0.005 . 1 . . . . A 1883 ARG HA . 34744 1 164 . 1 . 1 16 16 ARG HB2 H 1 1.869 0.005 . 2 . . . . A 1883 ARG HB2 . 34744 1 165 . 1 . 1 16 16 ARG HB3 H 1 1.869 0.005 . 2 . . . . A 1883 ARG HB3 . 34744 1 166 . 1 . 1 16 16 ARG HG2 H 1 1.790 0.004 . 2 . . . . A 1883 ARG HG2 . 34744 1 167 . 1 . 1 16 16 ARG HG3 H 1 1.616 0.003 . 2 . . . . A 1883 ARG HG3 . 34744 1 168 . 1 . 1 16 16 ARG HD2 H 1 3.191 0.001 . 2 . . . . A 1883 ARG HD2 . 34744 1 169 . 1 . 1 16 16 ARG HD3 H 1 3.142 0.001 . 2 . . . . A 1883 ARG HD3 . 34744 1 170 . 1 . 1 16 16 ARG C C 13 178.581 0.000 . 1 . . . . A 1883 ARG C . 34744 1 171 . 1 . 1 16 16 ARG CA C 13 59.123 0.077 . 1 . . . . A 1883 ARG CA . 34744 1 172 . 1 . 1 16 16 ARG CB C 13 30.229 0.064 . 1 . . . . A 1883 ARG CB . 34744 1 173 . 1 . 1 16 16 ARG CG C 13 27.691 0.045 . 1 . . . . A 1883 ARG CG . 34744 1 174 . 1 . 1 16 16 ARG CD C 13 43.313 0.042 . 1 . . . . A 1883 ARG CD . 34744 1 175 . 1 . 1 16 16 ARG N N 15 119.036 0.000 . 1 . . . . A 1883 ARG N . 34744 1 176 . 1 . 1 17 17 LEU H H 1 7.646 0.000 . 1 . . . . A 1884 LEU H . 34744 1 177 . 1 . 1 17 17 LEU HA H 1 4.196 0.006 . 1 . . . . A 1884 LEU HA . 34744 1 178 . 1 . 1 17 17 LEU HB2 H 1 1.948 0.001 . 2 . . . . A 1884 LEU HB2 . 34744 1 179 . 1 . 1 17 17 LEU HB3 H 1 1.831 0.004 . 2 . . . . A 1884 LEU HB3 . 34744 1 180 . 1 . 1 17 17 LEU HG H 1 1.702 0.002 . 1 . . . . A 1884 LEU HG . 34744 1 181 . 1 . 1 17 17 LEU HD11 H 1 0.999 0.000 . 2 . . . . A 1884 LEU HD11 . 34744 1 182 . 1 . 1 17 17 LEU HD12 H 1 0.999 0.000 . 2 . . . . A 1884 LEU HD12 . 34744 1 183 . 1 . 1 17 17 LEU HD13 H 1 0.999 0.000 . 2 . . . . A 1884 LEU HD13 . 34744 1 184 . 1 . 1 17 17 LEU HD21 H 1 0.907 0.001 . 2 . . . . A 1884 LEU HD21 . 34744 1 185 . 1 . 1 17 17 LEU HD22 H 1 0.907 0.001 . 2 . . . . A 1884 LEU HD22 . 34744 1 186 . 1 . 1 17 17 LEU HD23 H 1 0.907 0.001 . 2 . . . . A 1884 LEU HD23 . 34744 1 187 . 1 . 1 17 17 LEU C C 13 179.701 0.000 . 1 . . . . A 1884 LEU C . 34744 1 188 . 1 . 1 17 17 LEU CA C 13 57.657 0.049 . 1 . . . . A 1884 LEU CA . 34744 1 189 . 1 . 1 17 17 LEU CB C 13 42.658 0.023 . 1 . . . . A 1884 LEU CB . 34744 1 190 . 1 . 1 17 17 LEU CG C 13 26.961 0.100 . 1 . . . . A 1884 LEU CG . 34744 1 191 . 1 . 1 17 17 LEU CD1 C 13 24.375 0.019 . 1 . . . . A 1884 LEU CD1 . 34744 1 192 . 1 . 1 17 17 LEU CD2 C 13 25.894 0.022 . 1 . . . . A 1884 LEU CD2 . 34744 1 193 . 1 . 1 17 17 LEU N N 15 120.293 0.000 . 1 . . . . A 1884 LEU N . 34744 1 194 . 1 . 1 18 18 VAL H H 1 8.709 0.000 . 1 . . . . A 1885 VAL H . 34744 1 195 . 1 . 1 18 18 VAL HA H 1 3.487 0.002 . 1 . . . . A 1885 VAL HA . 34744 1 196 . 1 . 1 18 18 VAL HB H 1 2.008 0.001 . 1 . . . . A 1885 VAL HB . 34744 1 197 . 1 . 1 18 18 VAL HG11 H 1 0.581 0.001 . 2 . . . . A 1885 VAL HG11 . 34744 1 198 . 1 . 1 18 18 VAL HG12 H 1 0.581 0.001 . 2 . . . . A 1885 VAL HG12 . 34744 1 199 . 1 . 1 18 18 VAL HG13 H 1 0.581 0.001 . 2 . . . . A 1885 VAL HG13 . 34744 1 200 . 1 . 1 18 18 VAL HG21 H 1 0.903 0.001 . 2 . . . . A 1885 VAL HG21 . 34744 1 201 . 1 . 1 18 18 VAL HG22 H 1 0.903 0.001 . 2 . . . . A 1885 VAL HG22 . 34744 1 202 . 1 . 1 18 18 VAL HG23 H 1 0.903 0.001 . 2 . . . . A 1885 VAL HG23 . 34744 1 203 . 1 . 1 18 18 VAL C C 13 177.401 0.000 . 1 . . . . A 1885 VAL C . 34744 1 204 . 1 . 1 18 18 VAL CA C 13 66.865 0.043 . 1 . . . . A 1885 VAL CA . 34744 1 205 . 1 . 1 18 18 VAL CB C 13 31.542 0.030 . 1 . . . . A 1885 VAL CB . 34744 1 206 . 1 . 1 18 18 VAL CG1 C 13 21.881 0.012 . 1 . . . . A 1885 VAL CG1 . 34744 1 207 . 1 . 1 18 18 VAL CG2 C 13 23.427 0.036 . 1 . . . . A 1885 VAL CG2 . 34744 1 208 . 1 . 1 18 18 VAL N N 15 118.650 0.000 . 1 . . . . A 1885 VAL N . 34744 1 209 . 1 . 1 19 19 ALA H H 1 8.020 0.000 . 1 . . . . A 1886 ALA H . 34744 1 210 . 1 . 1 19 19 ALA HA H 1 3.791 0.001 . 1 . . . . A 1886 ALA HA . 34744 1 211 . 1 . 1 19 19 ALA HB1 H 1 1.437 0.001 . 1 . . . . A 1886 ALA HB1 . 34744 1 212 . 1 . 1 19 19 ALA HB2 H 1 1.437 0.001 . 1 . . . . A 1886 ALA HB2 . 34744 1 213 . 1 . 1 19 19 ALA HB3 H 1 1.437 0.001 . 1 . . . . A 1886 ALA HB3 . 34744 1 214 . 1 . 1 19 19 ALA C C 13 179.355 0.000 . 1 . . . . A 1886 ALA C . 34744 1 215 . 1 . 1 19 19 ALA CA C 13 55.036 0.030 . 1 . . . . A 1886 ALA CA . 34744 1 216 . 1 . 1 19 19 ALA CB C 13 18.228 0.040 . 1 . . . . A 1886 ALA CB . 34744 1 217 . 1 . 1 19 19 ALA N N 15 119.910 0.000 . 1 . . . . A 1886 ALA N . 34744 1 218 . 1 . 1 20 20 GLY H H 1 7.270 0.000 . 1 . . . . A 1887 GLY H . 34744 1 219 . 1 . 1 20 20 GLY HA2 H 1 3.684 0.003 . 2 . . . . A 1887 GLY HA2 . 34744 1 220 . 1 . 1 20 20 GLY HA3 H 1 3.901 0.004 . 2 . . . . A 1887 GLY HA3 . 34744 1 221 . 1 . 1 20 20 GLY C C 13 174.319 0.000 . 1 . . . . A 1887 GLY C . 34744 1 222 . 1 . 1 20 20 GLY CA C 13 45.905 0.026 . 1 . . . . A 1887 GLY CA . 34744 1 223 . 1 . 1 20 20 GLY N N 15 101.639 0.004 . 1 . . . . A 1887 GLY N . 34744 1 224 . 1 . 1 21 21 PHE H H 1 8.185 0.000 . 1 . . . . A 1888 PHE H . 34744 1 225 . 1 . 1 21 21 PHE HA H 1 4.552 0.002 . 1 . . . . A 1888 PHE HA . 34744 1 226 . 1 . 1 21 21 PHE HB2 H 1 2.771 0.002 . 2 . . . . A 1888 PHE HB2 . 34744 1 227 . 1 . 1 21 21 PHE HB3 H 1 3.301 0.002 . 2 . . . . A 1888 PHE HB3 . 34744 1 228 . 1 . 1 21 21 PHE HD1 H 1 7.440 0.007 . 1 . . . . A 1888 PHE HD1 . 34744 1 229 . 1 . 1 21 21 PHE HD2 H 1 7.440 0.007 . 1 . . . . A 1888 PHE HD2 . 34744 1 230 . 1 . 1 21 21 PHE HE1 H 1 7.187 0.000 . 1 . . . . A 1888 PHE HE1 . 34744 1 231 . 1 . 1 21 21 PHE HE2 H 1 7.187 0.000 . 1 . . . . A 1888 PHE HE2 . 34744 1 232 . 1 . 1 21 21 PHE HZ H 1 7.234 0.000 . 1 . . . . A 1888 PHE HZ . 34744 1 233 . 1 . 1 21 21 PHE C C 13 174.730 0.000 . 1 . . . . A 1888 PHE C . 34744 1 234 . 1 . 1 21 21 PHE CA C 13 58.252 0.069 . 1 . . . . A 1888 PHE CA . 34744 1 235 . 1 . 1 21 21 PHE CB C 13 40.889 0.027 . 1 . . . . A 1888 PHE CB . 34744 1 236 . 1 . 1 21 21 PHE CD1 C 13 132.453 0.000 . 1 . . . . A 1888 PHE CD1 . 34744 1 237 . 1 . 1 21 21 PHE CE1 C 13 129.276 0.000 . 1 . . . . A 1888 PHE CE1 . 34744 1 238 . 1 . 1 21 21 PHE N N 15 117.033 0.000 . 1 . . . . A 1888 PHE N . 34744 1 239 . 1 . 1 22 22 VAL H H 1 7.066 0.000 . 1 . . . . A 1889 VAL H . 34744 1 240 . 1 . 1 22 22 VAL HA H 1 4.303 0.004 . 1 . . . . A 1889 VAL HA . 34744 1 241 . 1 . 1 22 22 VAL HB H 1 2.255 0.002 . 1 . . . . A 1889 VAL HB . 34744 1 242 . 1 . 1 22 22 VAL HG11 H 1 0.950 0.002 . 2 . . . . A 1889 VAL HG11 . 34744 1 243 . 1 . 1 22 22 VAL HG12 H 1 0.950 0.002 . 2 . . . . A 1889 VAL HG12 . 34744 1 244 . 1 . 1 22 22 VAL HG13 H 1 0.950 0.002 . 2 . . . . A 1889 VAL HG13 . 34744 1 245 . 1 . 1 22 22 VAL HG21 H 1 1.050 0.002 . 2 . . . . A 1889 VAL HG21 . 34744 1 246 . 1 . 1 22 22 VAL HG22 H 1 1.050 0.002 . 2 . . . . A 1889 VAL HG22 . 34744 1 247 . 1 . 1 22 22 VAL HG23 H 1 1.050 0.002 . 2 . . . . A 1889 VAL HG23 . 34744 1 248 . 1 . 1 22 22 VAL CA C 13 59.991 0.058 . 1 . . . . A 1889 VAL CA . 34744 1 249 . 1 . 1 22 22 VAL CB C 13 32.137 0.017 . 1 . . . . A 1889 VAL CB . 34744 1 250 . 1 . 1 22 22 VAL CG1 C 13 20.611 0.013 . 1 . . . . A 1889 VAL CG1 . 34744 1 251 . 1 . 1 22 22 VAL CG2 C 13 21.853 0.024 . 1 . . . . A 1889 VAL CG2 . 34744 1 252 . 1 . 1 22 22 VAL N N 15 117.822 0.000 . 1 . . . . A 1889 VAL N . 34744 1 253 . 1 . 1 23 23 PRO HA H 1 4.420 0.002 . 1 . . . . A 1890 PRO HA . 34744 1 254 . 1 . 1 23 23 PRO HB2 H 1 2.297 0.002 . 2 . . . . A 1890 PRO HB2 . 34744 1 255 . 1 . 1 23 23 PRO HB3 H 1 2.019 0.004 . 2 . . . . A 1890 PRO HB3 . 34744 1 256 . 1 . 1 23 23 PRO HG2 H 1 2.099 0.002 . 2 . . . . A 1890 PRO HG2 . 34744 1 257 . 1 . 1 23 23 PRO HG3 H 1 2.099 0.002 . 2 . . . . A 1890 PRO HG3 . 34744 1 258 . 1 . 1 23 23 PRO HD2 H 1 3.887 0.002 . 2 . . . . A 1890 PRO HD2 . 34744 1 259 . 1 . 1 23 23 PRO HD3 H 1 3.705 0.001 . 2 . . . . A 1890 PRO HD3 . 34744 1 260 . 1 . 1 23 23 PRO CA C 13 63.824 0.046 . 1 . . . . A 1890 PRO CA . 34744 1 261 . 1 . 1 23 23 PRO CB C 13 31.767 0.043 . 1 . . . . A 1890 PRO CB . 34744 1 262 . 1 . 1 23 23 PRO CG C 13 27.693 0.028 . 1 . . . . A 1890 PRO CG . 34744 1 263 . 1 . 1 23 23 PRO CD C 13 50.976 0.026 . 1 . . . . A 1890 PRO CD . 34744 1 264 . 1 . 1 24 24 ASP H H 1 8.257 0.000 . 1 . . . . A 1891 ASP H . 34744 1 265 . 1 . 1 24 24 ASP HA H 1 4.444 0.002 . 1 . . . . A 1891 ASP HA . 34744 1 266 . 1 . 1 24 24 ASP HB2 H 1 2.671 0.000 . 2 . . . . A 1891 ASP HB2 . 34744 1 267 . 1 . 1 24 24 ASP HB3 H 1 2.671 0.000 . 2 . . . . A 1891 ASP HB3 . 34744 1 268 . 1 . 1 24 24 ASP C C 13 176.965 0.000 . 1 . . . . A 1891 ASP C . 34744 1 269 . 1 . 1 24 24 ASP CA C 13 55.448 0.053 . 1 . . . . A 1891 ASP CA . 34744 1 270 . 1 . 1 24 24 ASP CB C 13 41.095 0.026 . 1 . . . . A 1891 ASP CB . 34744 1 271 . 1 . 1 24 24 ASP N N 15 119.869 0.000 . 1 . . . . A 1891 ASP N . 34744 1 272 . 1 . 1 25 25 ALA H H 1 8.346 0.000 . 1 . . . . A 1892 ALA H . 34744 1 273 . 1 . 1 25 25 ALA HA H 1 4.160 0.001 . 1 . . . . A 1892 ALA HA . 34744 1 274 . 1 . 1 25 25 ALA HB1 H 1 1.406 0.002 . 1 . . . . A 1892 ALA HB1 . 34744 1 275 . 1 . 1 25 25 ALA HB2 H 1 1.406 0.002 . 1 . . . . A 1892 ALA HB2 . 34744 1 276 . 1 . 1 25 25 ALA HB3 H 1 1.406 0.002 . 1 . . . . A 1892 ALA HB3 . 34744 1 277 . 1 . 1 25 25 ALA C C 13 178.010 0.000 . 1 . . . . A 1892 ALA C . 34744 1 278 . 1 . 1 25 25 ALA CA C 13 53.588 0.033 . 1 . . . . A 1892 ALA CA . 34744 1 279 . 1 . 1 25 25 ALA CB C 13 18.601 0.019 . 1 . . . . A 1892 ALA CB . 34744 1 280 . 1 . 1 25 25 ALA N N 15 123.118 0.000 . 1 . . . . A 1892 ALA N . 34744 1 281 . 1 . 1 26 26 ALA H H 1 8.068 0.000 . 1 . . . . A 1893 ALA H . 34744 1 282 . 1 . 1 26 26 ALA HA H 1 4.279 0.002 . 1 . . . . A 1893 ALA HA . 34744 1 283 . 1 . 1 26 26 ALA HB1 H 1 1.423 0.000 . 1 . . . . A 1893 ALA HB1 . 34744 1 284 . 1 . 1 26 26 ALA HB2 H 1 1.423 0.000 . 1 . . . . A 1893 ALA HB2 . 34744 1 285 . 1 . 1 26 26 ALA HB3 H 1 1.423 0.000 . 1 . . . . A 1893 ALA HB3 . 34744 1 286 . 1 . 1 26 26 ALA C C 13 178.640 0.000 . 1 . . . . A 1893 ALA C . 34744 1 287 . 1 . 1 26 26 ALA CA C 13 52.681 0.048 . 1 . . . . A 1893 ALA CA . 34744 1 288 . 1 . 1 26 26 ALA CB C 13 18.797 0.030 . 1 . . . . A 1893 ALA CB . 34744 1 289 . 1 . 1 26 26 ALA N N 15 120.416 0.000 . 1 . . . . A 1893 ALA N . 34744 1 290 . 1 . 1 27 27 GLY H H 1 8.019 0.000 . 1 . . . . A 1894 GLY H . 34744 1 291 . 1 . 1 27 27 GLY HA2 H 1 3.748 0.002 . 2 . . . . A 1894 GLY HA2 . 34744 1 292 . 1 . 1 27 27 GLY HA3 H 1 4.011 0.006 . 2 . . . . A 1894 GLY HA3 . 34744 1 293 . 1 . 1 27 27 GLY C C 13 173.551 0.000 . 1 . . . . A 1894 GLY C . 34744 1 294 . 1 . 1 27 27 GLY CA C 13 45.895 0.039 . 1 . . . . A 1894 GLY CA . 34744 1 295 . 1 . 1 27 27 GLY N N 15 106.592 0.000 . 1 . . . . A 1894 GLY N . 34744 1 296 . 1 . 1 28 28 SER H H 1 7.884 0.000 . 1 . . . . A 1895 SER H . 34744 1 297 . 1 . 1 28 28 SER HA H 1 4.436 0.002 . 1 . . . . A 1895 SER HA . 34744 1 298 . 1 . 1 28 28 SER HB2 H 1 3.743 0.001 . 2 . . . . A 1895 SER HB2 . 34744 1 299 . 1 . 1 28 28 SER HB3 H 1 3.821 0.001 . 2 . . . . A 1895 SER HB3 . 34744 1 300 . 1 . 1 28 28 SER C C 13 173.364 0.000 . 1 . . . . A 1895 SER C . 34744 1 301 . 1 . 1 28 28 SER CA C 13 57.787 0.067 . 1 . . . . A 1895 SER CA . 34744 1 302 . 1 . 1 28 28 SER CB C 13 64.195 0.049 . 1 . . . . A 1895 SER CB . 34744 1 303 . 1 . 1 28 28 SER N N 15 114.640 0.000 . 1 . . . . A 1895 SER N . 34744 1 304 . 1 . 1 29 29 VAL H H 1 8.222 0.000 . 1 . . . . A 1896 VAL H . 34744 1 305 . 1 . 1 29 29 VAL HA H 1 4.428 0.001 . 1 . . . . A 1896 VAL HA . 34744 1 306 . 1 . 1 29 29 VAL HB H 1 1.858 0.001 . 1 . . . . A 1896 VAL HB . 34744 1 307 . 1 . 1 29 29 VAL HG11 H 1 0.813 0.002 . 2 . . . . A 1896 VAL HG11 . 34744 1 308 . 1 . 1 29 29 VAL HG12 H 1 0.813 0.002 . 2 . . . . A 1896 VAL HG12 . 34744 1 309 . 1 . 1 29 29 VAL HG13 H 1 0.813 0.002 . 2 . . . . A 1896 VAL HG13 . 34744 1 310 . 1 . 1 29 29 VAL HG21 H 1 0.635 0.001 . 2 . . . . A 1896 VAL HG21 . 34744 1 311 . 1 . 1 29 29 VAL HG22 H 1 0.635 0.001 . 2 . . . . A 1896 VAL HG22 . 34744 1 312 . 1 . 1 29 29 VAL HG23 H 1 0.635 0.001 . 2 . . . . A 1896 VAL HG23 . 34744 1 313 . 1 . 1 29 29 VAL C C 13 175.510 0.000 . 1 . . . . A 1896 VAL C . 34744 1 314 . 1 . 1 29 29 VAL CA C 13 61.455 0.069 . 1 . . . . A 1896 VAL CA . 34744 1 315 . 1 . 1 29 29 VAL CB C 13 32.756 0.039 . 1 . . . . A 1896 VAL CB . 34744 1 316 . 1 . 1 29 29 VAL CG1 C 13 21.229 0.035 . 1 . . . . A 1896 VAL CG1 . 34744 1 317 . 1 . 1 29 29 VAL CG2 C 13 21.123 0.016 . 1 . . . . A 1896 VAL CG2 . 34744 1 318 . 1 . 1 29 29 VAL N N 15 121.452 0.000 . 1 . . . . A 1896 VAL N . 34744 1 319 . 1 . 1 30 30 ASP H H 1 8.396 0.000 . 1 . . . . A 1897 ASP H . 34744 1 320 . 1 . 1 30 30 ASP HA H 1 5.019 0.003 . 1 . . . . A 1897 ASP HA . 34744 1 321 . 1 . 1 30 30 ASP HB2 H 1 2.772 0.002 . 2 . . . . A 1897 ASP HB2 . 34744 1 322 . 1 . 1 30 30 ASP HB3 H 1 2.623 0.002 . 2 . . . . A 1897 ASP HB3 . 34744 1 323 . 1 . 1 30 30 ASP CA C 13 51.173 0.023 . 1 . . . . A 1897 ASP CA . 34744 1 324 . 1 . 1 30 30 ASP CB C 13 42.585 0.003 . 1 . . . . A 1897 ASP CB . 34744 1 325 . 1 . 1 30 30 ASP N N 15 125.688 0.000 . 1 . . . . A 1897 ASP N . 34744 1 326 . 1 . 1 31 31 PRO HA H 1 4.328 0.001 . 1 . . . . A 1898 PRO HA . 34744 1 327 . 1 . 1 31 31 PRO HB2 H 1 2.218 0.002 . 2 . . . . A 1898 PRO HB2 . 34744 1 328 . 1 . 1 31 31 PRO HB3 H 1 2.042 0.002 . 2 . . . . A 1898 PRO HB3 . 34744 1 329 . 1 . 1 31 31 PRO HG2 H 1 1.992 0.003 . 2 . . . . A 1898 PRO HG2 . 34744 1 330 . 1 . 1 31 31 PRO HG3 H 1 1.915 0.004 . 2 . . . . A 1898 PRO HG3 . 34744 1 331 . 1 . 1 31 31 PRO HD2 H 1 3.970 0.001 . 2 . . . . A 1898 PRO HD2 . 34744 1 332 . 1 . 1 31 31 PRO HD3 H 1 3.868 0.001 . 2 . . . . A 1898 PRO HD3 . 34744 1 333 . 1 . 1 31 31 PRO C C 13 174.989 0.000 . 1 . . . . A 1898 PRO C . 34744 1 334 . 1 . 1 31 31 PRO CA C 13 64.394 0.055 . 1 . . . . A 1898 PRO CA . 34744 1 335 . 1 . 1 31 31 PRO CB C 13 32.438 0.034 . 1 . . . . A 1898 PRO CB . 34744 1 336 . 1 . 1 31 31 PRO CG C 13 26.662 0.044 . 1 . . . . A 1898 PRO CG . 34744 1 337 . 1 . 1 31 31 PRO CD C 13 51.137 0.057 . 1 . . . . A 1898 PRO CD . 34744 1 338 . 1 . 1 32 32 ASP H H 1 8.552 0.000 . 1 . . . . A 1899 ASP H . 34744 1 339 . 1 . 1 32 32 ASP HA H 1 4.824 0.003 . 1 . . . . A 1899 ASP HA . 34744 1 340 . 1 . 1 32 32 ASP HB2 H 1 2.753 0.005 . 2 . . . . A 1899 ASP HB2 . 34744 1 341 . 1 . 1 32 32 ASP HB3 H 1 2.520 0.003 . 2 . . . . A 1899 ASP HB3 . 34744 1 342 . 1 . 1 32 32 ASP C C 13 176.382 0.000 . 1 . . . . A 1899 ASP C . 34744 1 343 . 1 . 1 32 32 ASP CA C 13 54.326 0.131 . 1 . . . . A 1899 ASP CA . 34744 1 344 . 1 . 1 32 32 ASP CB C 13 42.148 0.045 . 1 . . . . A 1899 ASP CB . 34744 1 345 . 1 . 1 32 32 ASP N N 15 116.051 0.000 . 1 . . . . A 1899 ASP N . 34744 1 346 . 1 . 1 33 33 ARG H H 1 7.489 0.000 . 1 . . . . A 1900 ARG H . 34744 1 347 . 1 . 1 33 33 ARG HA H 1 4.732 0.002 . 1 . . . . A 1900 ARG HA . 34744 1 348 . 1 . 1 33 33 ARG HB2 H 1 1.535 0.001 . 2 . . . . A 1900 ARG HB2 . 34744 1 349 . 1 . 1 33 33 ARG HB3 H 1 1.369 0.000 . 2 . . . . A 1900 ARG HB3 . 34744 1 350 . 1 . 1 33 33 ARG HG2 H 1 1.458 0.006 . 2 . . . . A 1900 ARG HG2 . 34744 1 351 . 1 . 1 33 33 ARG HG3 H 1 1.395 0.002 . 2 . . . . A 1900 ARG HG3 . 34744 1 352 . 1 . 1 33 33 ARG HD2 H 1 2.868 0.001 . 2 . . . . A 1900 ARG HD2 . 34744 1 353 . 1 . 1 33 33 ARG HD3 H 1 2.782 0.001 . 2 . . . . A 1900 ARG HD3 . 34744 1 354 . 1 . 1 33 33 ARG HE H 1 7.215 0.000 . 1 . . . . A 1900 ARG HE . 34744 1 355 . 1 . 1 33 33 ARG C C 13 176.076 0.000 . 1 . . . . A 1900 ARG C . 34744 1 356 . 1 . 1 33 33 ARG CA C 13 54.661 0.091 . 1 . . . . A 1900 ARG CA . 34744 1 357 . 1 . 1 33 33 ARG CB C 13 33.123 0.046 . 1 . . . . A 1900 ARG CB . 34744 1 358 . 1 . 1 33 33 ARG CG C 13 27.124 0.035 . 1 . . . . A 1900 ARG CG . 34744 1 359 . 1 . 1 33 33 ARG CD C 13 43.614 0.028 . 1 . . . . A 1900 ARG CD . 34744 1 360 . 1 . 1 33 33 ARG N N 15 119.397 0.000 . 1 . . . . A 1900 ARG N . 34744 1 361 . 1 . 1 33 33 ARG NE N 15 84.369 0.001 . 1 . . . . A 1900 ARG NE . 34744 1 362 . 1 . 1 34 34 THR H H 1 9.365 0.000 . 1 . . . . A 1901 THR H . 34744 1 363 . 1 . 1 34 34 THR HA H 1 4.115 0.002 . 1 . . . . A 1901 THR HA . 34744 1 364 . 1 . 1 34 34 THR HB H 1 4.549 0.001 . 1 . . . . A 1901 THR HB . 34744 1 365 . 1 . 1 34 34 THR HG21 H 1 1.147 0.001 . 1 . . . . A 1901 THR HG21 . 34744 1 366 . 1 . 1 34 34 THR HG22 H 1 1.147 0.001 . 1 . . . . A 1901 THR HG22 . 34744 1 367 . 1 . 1 34 34 THR HG23 H 1 1.147 0.001 . 1 . . . . A 1901 THR HG23 . 34744 1 368 . 1 . 1 34 34 THR CA C 13 61.221 0.046 . 1 . . . . A 1901 THR CA . 34744 1 369 . 1 . 1 34 34 THR CB C 13 70.845 0.059 . 1 . . . . A 1901 THR CB . 34744 1 370 . 1 . 1 34 34 THR CG2 C 13 22.166 0.010 . 1 . . . . A 1901 THR CG2 . 34744 1 371 . 1 . 1 34 34 THR N N 15 115.467 0.000 . 1 . . . . A 1901 THR N . 34744 1 372 . 1 . 1 35 35 LEU H H 1 8.172 0.000 . 1 . . . . A 1902 LEU H . 34744 1 373 . 1 . 1 35 35 LEU HA H 1 4.018 0.002 . 1 . . . . A 1902 LEU HA . 34744 1 374 . 1 . 1 35 35 LEU HB2 H 1 2.260 0.001 . 2 . . . . A 1902 LEU HB2 . 34744 1 375 . 1 . 1 35 35 LEU HB3 H 1 1.174 0.002 . 2 . . . . A 1902 LEU HB3 . 34744 1 376 . 1 . 1 35 35 LEU HG H 1 1.983 0.003 . 1 . . . . A 1902 LEU HG . 34744 1 377 . 1 . 1 35 35 LEU HD11 H 1 0.634 0.001 . 2 . . . . A 1902 LEU HD11 . 34744 1 378 . 1 . 1 35 35 LEU HD12 H 1 0.634 0.001 . 2 . . . . A 1902 LEU HD12 . 34744 1 379 . 1 . 1 35 35 LEU HD13 H 1 0.634 0.001 . 2 . . . . A 1902 LEU HD13 . 34744 1 380 . 1 . 1 35 35 LEU HD21 H 1 0.538 0.003 . 2 . . . . A 1902 LEU HD21 . 34744 1 381 . 1 . 1 35 35 LEU HD22 H 1 0.538 0.003 . 2 . . . . A 1902 LEU HD22 . 34744 1 382 . 1 . 1 35 35 LEU HD23 H 1 0.538 0.003 . 2 . . . . A 1902 LEU HD23 . 34744 1 383 . 1 . 1 35 35 LEU C C 13 180.069 0.000 . 1 . . . . A 1902 LEU C . 34744 1 384 . 1 . 1 35 35 LEU CA C 13 60.269 0.044 . 1 . . . . A 1902 LEU CA . 34744 1 385 . 1 . 1 35 35 LEU CB C 13 38.736 0.012 . 1 . . . . A 1902 LEU CB . 34744 1 386 . 1 . 1 35 35 LEU CG C 13 27.396 0.102 . 1 . . . . A 1902 LEU CG . 34744 1 387 . 1 . 1 35 35 LEU CD1 C 13 25.878 0.060 . 1 . . . . A 1902 LEU CD1 . 34744 1 388 . 1 . 1 35 35 LEU CD2 C 13 22.735 0.024 . 1 . . . . A 1902 LEU CD2 . 34744 1 389 . 1 . 1 35 35 LEU N N 15 121.412 0.000 . 1 . . . . A 1902 LEU N . 34744 1 390 . 1 . 1 36 36 LEU H H 1 8.442 0.000 . 1 . . . . A 1903 LEU H . 34744 1 391 . 1 . 1 36 36 LEU HA H 1 4.206 0.004 . 1 . . . . A 1903 LEU HA . 34744 1 392 . 1 . 1 36 36 LEU HB2 H 1 1.781 0.000 . 2 . . . . A 1903 LEU HB2 . 34744 1 393 . 1 . 1 36 36 LEU HB3 H 1 1.574 0.001 . 2 . . . . A 1903 LEU HB3 . 34744 1 394 . 1 . 1 36 36 LEU HG H 1 1.571 0.004 . 1 . . . . A 1903 LEU HG . 34744 1 395 . 1 . 1 36 36 LEU HD11 H 1 0.836 0.002 . 2 . . . . A 1903 LEU HD11 . 34744 1 396 . 1 . 1 36 36 LEU HD12 H 1 0.836 0.002 . 2 . . . . A 1903 LEU HD12 . 34744 1 397 . 1 . 1 36 36 LEU HD13 H 1 0.836 0.002 . 2 . . . . A 1903 LEU HD13 . 34744 1 398 . 1 . 1 36 36 LEU HD21 H 1 0.876 0.001 . 2 . . . . A 1903 LEU HD21 . 34744 1 399 . 1 . 1 36 36 LEU HD22 H 1 0.876 0.001 . 2 . . . . A 1903 LEU HD22 . 34744 1 400 . 1 . 1 36 36 LEU HD23 H 1 0.876 0.001 . 2 . . . . A 1903 LEU HD23 . 34744 1 401 . 1 . 1 36 36 LEU C C 13 181.974 0.000 . 1 . . . . A 1903 LEU C . 34744 1 402 . 1 . 1 36 36 LEU CA C 13 58.698 0.062 . 1 . . . . A 1903 LEU CA . 34744 1 403 . 1 . 1 36 36 LEU CB C 13 41.809 0.054 . 1 . . . . A 1903 LEU CB . 34744 1 404 . 1 . 1 36 36 LEU CG C 13 26.937 0.054 . 1 . . . . A 1903 LEU CG . 34744 1 405 . 1 . 1 36 36 LEU CD1 C 13 24.821 0.032 . 1 . . . . A 1903 LEU CD1 . 34744 1 406 . 1 . 1 36 36 LEU CD2 C 13 24.435 0.033 . 1 . . . . A 1903 LEU CD2 . 34744 1 407 . 1 . 1 36 36 LEU N N 15 120.006 0.000 . 1 . . . . A 1903 LEU N . 34744 1 408 . 1 . 1 37 37 GLU H H 1 7.854 0.000 . 1 . . . . A 1904 GLU H . 34744 1 409 . 1 . 1 37 37 GLU HA H 1 3.983 0.004 . 1 . . . . A 1904 GLU HA . 34744 1 410 . 1 . 1 37 37 GLU HB2 H 1 2.389 0.002 . 2 . . . . A 1904 GLU HB2 . 34744 1 411 . 1 . 1 37 37 GLU HB3 H 1 1.865 0.001 . 2 . . . . A 1904 GLU HB3 . 34744 1 412 . 1 . 1 37 37 GLU HG2 H 1 2.375 0.007 . 2 . . . . A 1904 GLU HG2 . 34744 1 413 . 1 . 1 37 37 GLU HG3 H 1 2.195 0.001 . 2 . . . . A 1904 GLU HG3 . 34744 1 414 . 1 . 1 37 37 GLU C C 13 178.603 0.000 . 1 . . . . A 1904 GLU C . 34744 1 415 . 1 . 1 37 37 GLU CA C 13 58.610 0.058 . 1 . . . . A 1904 GLU CA . 34744 1 416 . 1 . 1 37 37 GLU CB C 13 29.912 0.037 . 1 . . . . A 1904 GLU CB . 34744 1 417 . 1 . 1 37 37 GLU CG C 13 37.943 0.019 . 1 . . . . A 1904 GLU CG . 34744 1 418 . 1 . 1 37 37 GLU N N 15 120.780 0.000 . 1 . . . . A 1904 GLU N . 34744 1 419 . 1 . 1 38 38 HIS H H 1 7.977 0.000 . 1 . . . . A 1905 HIS H . 34744 1 420 . 1 . 1 38 38 HIS HA H 1 4.360 0.002 . 1 . . . . A 1905 HIS HA . 34744 1 421 . 1 . 1 38 38 HIS HB2 H 1 3.294 0.002 . 2 . . . . A 1905 HIS HB2 . 34744 1 422 . 1 . 1 38 38 HIS HB3 H 1 3.398 0.005 . 2 . . . . A 1905 HIS HB3 . 34744 1 423 . 1 . 1 38 38 HIS HD2 H 1 6.924 0.000 . 1 . . . . A 1905 HIS HD2 . 34744 1 424 . 1 . 1 38 38 HIS HE1 H 1 8.114 0.000 . 1 . . . . A 1905 HIS HE1 . 34744 1 425 . 1 . 1 38 38 HIS C C 13 175.367 0.000 . 1 . . . . A 1905 HIS C . 34744 1 426 . 1 . 1 38 38 HIS CA C 13 59.381 0.050 . 1 . . . . A 1905 HIS CA . 34744 1 427 . 1 . 1 38 38 HIS CB C 13 29.577 0.063 . 1 . . . . A 1905 HIS CB . 34744 1 428 . 1 . 1 38 38 HIS CE1 C 13 140.744 0.000 . 1 . . . . A 1905 HIS CE1 . 34744 1 429 . 1 . 1 38 38 HIS N N 15 116.900 0.000 . 1 . . . . A 1905 HIS N . 34744 1 430 . 1 . 1 39 39 GLY H H 1 8.190 0.000 . 1 . . . . A 1906 GLY H . 34744 1 431 . 1 . 1 39 39 GLY HA2 H 1 3.762 0.000 . 2 . . . . A 1906 GLY HA2 . 34744 1 432 . 1 . 1 39 39 GLY HA3 H 1 4.103 0.001 . 2 . . . . A 1906 GLY HA3 . 34744 1 433 . 1 . 1 39 39 GLY C C 13 174.361 0.000 . 1 . . . . A 1906 GLY C . 34744 1 434 . 1 . 1 39 39 GLY CA C 13 45.531 0.030 . 1 . . . . A 1906 GLY CA . 34744 1 435 . 1 . 1 39 39 GLY N N 15 106.366 0.000 . 1 . . . . A 1906 GLY N . 34744 1 436 . 1 . 1 40 40 ILE H H 1 6.921 0.000 . 1 . . . . A 1907 ILE H . 34744 1 437 . 1 . 1 40 40 ILE HA H 1 4.045 0.002 . 1 . . . . A 1907 ILE HA . 34744 1 438 . 1 . 1 40 40 ILE HB H 1 1.484 0.001 . 1 . . . . A 1907 ILE HB . 34744 1 439 . 1 . 1 40 40 ILE HG12 H 1 1.129 0.004 . 2 . . . . A 1907 ILE HG12 . 34744 1 440 . 1 . 1 40 40 ILE HG13 H 1 1.624 0.002 . 2 . . . . A 1907 ILE HG13 . 34744 1 441 . 1 . 1 40 40 ILE HG21 H 1 0.856 0.002 . 1 . . . . A 1907 ILE HG21 . 34744 1 442 . 1 . 1 40 40 ILE HG22 H 1 0.856 0.002 . 1 . . . . A 1907 ILE HG22 . 34744 1 443 . 1 . 1 40 40 ILE HG23 H 1 0.856 0.002 . 1 . . . . A 1907 ILE HG23 . 34744 1 444 . 1 . 1 40 40 ILE HD11 H 1 0.694 0.001 . 1 . . . . A 1907 ILE HD11 . 34744 1 445 . 1 . 1 40 40 ILE HD12 H 1 0.694 0.001 . 1 . . . . A 1907 ILE HD12 . 34744 1 446 . 1 . 1 40 40 ILE HD13 H 1 0.694 0.001 . 1 . . . . A 1907 ILE HD13 . 34744 1 447 . 1 . 1 40 40 ILE C C 13 174.314 0.000 . 1 . . . . A 1907 ILE C . 34744 1 448 . 1 . 1 40 40 ILE CA C 13 62.557 0.050 . 1 . . . . A 1907 ILE CA . 34744 1 449 . 1 . 1 40 40 ILE CB C 13 37.751 0.030 . 1 . . . . A 1907 ILE CB . 34744 1 450 . 1 . 1 40 40 ILE CG1 C 13 28.141 0.031 . 1 . . . . A 1907 ILE CG1 . 34744 1 451 . 1 . 1 40 40 ILE CG2 C 13 17.532 0.036 . 1 . . . . A 1907 ILE CG2 . 34744 1 452 . 1 . 1 40 40 ILE CD1 C 13 13.801 0.022 . 1 . . . . A 1907 ILE CD1 . 34744 1 453 . 1 . 1 40 40 ILE N N 15 119.754 0.000 . 1 . . . . A 1907 ILE N . 34744 1 454 . 1 . 1 41 41 ASP H H 1 8.244 0.000 . 1 . . . . A 1908 ASP H . 34744 1 455 . 1 . 1 41 41 ASP HA H 1 4.637 0.001 . 1 . . . . A 1908 ASP HA . 34744 1 456 . 1 . 1 41 41 ASP HB2 H 1 2.739 0.004 . 2 . . . . A 1908 ASP HB2 . 34744 1 457 . 1 . 1 41 41 ASP HB3 H 1 3.141 0.002 . 2 . . . . A 1908 ASP HB3 . 34744 1 458 . 1 . 1 41 41 ASP C C 13 176.375 0.000 . 1 . . . . A 1908 ASP C . 34744 1 459 . 1 . 1 41 41 ASP CA C 13 52.804 0.085 . 1 . . . . A 1908 ASP CA . 34744 1 460 . 1 . 1 41 41 ASP CB C 13 41.909 0.033 . 1 . . . . A 1908 ASP CB . 34744 1 461 . 1 . 1 41 41 ASP N N 15 127.233 0.005 . 1 . . . . A 1908 ASP N . 34744 1 462 . 1 . 1 42 42 SER H H 1 8.803 0.000 . 1 . . . . A 1909 SER H . 34744 1 463 . 1 . 1 42 42 SER HA H 1 4.044 0.002 . 1 . . . . A 1909 SER HA . 34744 1 464 . 1 . 1 42 42 SER HB2 H 1 4.066 0.002 . 2 . . . . A 1909 SER HB2 . 34744 1 465 . 1 . 1 42 42 SER HB3 H 1 4.151 0.003 . 2 . . . . A 1909 SER HB3 . 34744 1 466 . 1 . 1 42 42 SER C C 13 175.707 0.000 . 1 . . . . A 1909 SER C . 34744 1 467 . 1 . 1 42 42 SER CA C 13 60.664 0.043 . 1 . . . . A 1909 SER CA . 34744 1 468 . 1 . 1 42 42 SER CB C 13 65.586 0.027 . 1 . . . . A 1909 SER CB . 34744 1 469 . 1 . 1 42 42 SER N N 15 113.200 0.000 . 1 . . . . A 1909 SER N . 34744 1 470 . 1 . 1 43 43 ILE H H 1 7.710 0.000 . 1 . . . . A 1910 ILE H . 34744 1 471 . 1 . 1 43 43 ILE HA H 1 3.781 0.001 . 1 . . . . A 1910 ILE HA . 34744 1 472 . 1 . 1 43 43 ILE HB H 1 1.966 0.001 . 1 . . . . A 1910 ILE HB . 34744 1 473 . 1 . 1 43 43 ILE HG12 H 1 1.200 0.002 . 2 . . . . A 1910 ILE HG12 . 34744 1 474 . 1 . 1 43 43 ILE HG13 H 1 1.583 0.002 . 2 . . . . A 1910 ILE HG13 . 34744 1 475 . 1 . 1 43 43 ILE HG21 H 1 0.865 0.001 . 1 . . . . A 1910 ILE HG21 . 34744 1 476 . 1 . 1 43 43 ILE HG22 H 1 0.865 0.001 . 1 . . . . A 1910 ILE HG22 . 34744 1 477 . 1 . 1 43 43 ILE HG23 H 1 0.865 0.001 . 1 . . . . A 1910 ILE HG23 . 34744 1 478 . 1 . 1 43 43 ILE HD11 H 1 0.860 0.002 . 1 . . . . A 1910 ILE HD11 . 34744 1 479 . 1 . 1 43 43 ILE HD12 H 1 0.860 0.002 . 1 . . . . A 1910 ILE HD12 . 34744 1 480 . 1 . 1 43 43 ILE HD13 H 1 0.860 0.002 . 1 . . . . A 1910 ILE HD13 . 34744 1 481 . 1 . 1 43 43 ILE C C 13 178.228 0.000 . 1 . . . . A 1910 ILE C . 34744 1 482 . 1 . 1 43 43 ILE CA C 13 64.158 0.048 . 1 . . . . A 1910 ILE CA . 34744 1 483 . 1 . 1 43 43 ILE CB C 13 37.457 0.022 . 1 . . . . A 1910 ILE CB . 34744 1 484 . 1 . 1 43 43 ILE CG1 C 13 28.986 0.018 . 1 . . . . A 1910 ILE CG1 . 34744 1 485 . 1 . 1 43 43 ILE CG2 C 13 17.210 0.031 . 1 . . . . A 1910 ILE CG2 . 34744 1 486 . 1 . 1 43 43 ILE CD1 C 13 12.648 0.032 . 1 . . . . A 1910 ILE CD1 . 34744 1 487 . 1 . 1 43 43 ILE N N 15 123.257 0.000 . 1 . . . . A 1910 ILE N . 34744 1 488 . 1 . 1 44 44 ASN H H 1 8.454 0.000 . 1 . . . . A 1911 ASN H . 34744 1 489 . 1 . 1 44 44 ASN HA H 1 4.557 0.001 . 1 . . . . A 1911 ASN HA . 34744 1 490 . 1 . 1 44 44 ASN HB2 H 1 3.054 0.003 . 2 . . . . A 1911 ASN HB2 . 34744 1 491 . 1 . 1 44 44 ASN HB3 H 1 2.623 0.002 . 2 . . . . A 1911 ASN HB3 . 34744 1 492 . 1 . 1 44 44 ASN HD21 H 1 8.733 0.000 . 2 . . . . A 1911 ASN HD21 . 34744 1 493 . 1 . 1 44 44 ASN HD22 H 1 7.101 0.000 . 2 . . . . A 1911 ASN HD22 . 34744 1 494 . 1 . 1 44 44 ASN C C 13 177.774 0.000 . 1 . . . . A 1911 ASN C . 34744 1 495 . 1 . 1 44 44 ASN CA C 13 56.604 0.053 . 1 . . . . A 1911 ASN CA . 34744 1 496 . 1 . 1 44 44 ASN CB C 13 39.180 0.030 . 1 . . . . A 1911 ASN CB . 34744 1 497 . 1 . 1 44 44 ASN N N 15 120.035 0.000 . 1 . . . . A 1911 ASN N . 34744 1 498 . 1 . 1 44 44 ASN ND2 N 15 116.697 0.001 . 1 . . . . A 1911 ASN ND2 . 34744 1 499 . 1 . 1 45 45 LEU H H 1 8.743 0.000 . 1 . . . . A 1912 LEU H . 34744 1 500 . 1 . 1 45 45 LEU HA H 1 3.753 0.004 . 1 . . . . A 1912 LEU HA . 34744 1 501 . 1 . 1 45 45 LEU HB2 H 1 1.681 0.001 . 2 . . . . A 1912 LEU HB2 . 34744 1 502 . 1 . 1 45 45 LEU HB3 H 1 1.393 0.001 . 2 . . . . A 1912 LEU HB3 . 34744 1 503 . 1 . 1 45 45 LEU HG H 1 1.553 0.000 . 1 . . . . A 1912 LEU HG . 34744 1 504 . 1 . 1 45 45 LEU HD11 H 1 0.694 0.001 . 2 . . . . A 1912 LEU HD11 . 34744 1 505 . 1 . 1 45 45 LEU HD12 H 1 0.694 0.001 . 2 . . . . A 1912 LEU HD12 . 34744 1 506 . 1 . 1 45 45 LEU HD13 H 1 0.694 0.001 . 2 . . . . A 1912 LEU HD13 . 34744 1 507 . 1 . 1 45 45 LEU HD21 H 1 0.694 0.001 . 2 . . . . A 1912 LEU HD21 . 34744 1 508 . 1 . 1 45 45 LEU HD22 H 1 0.694 0.001 . 2 . . . . A 1912 LEU HD22 . 34744 1 509 . 1 . 1 45 45 LEU HD23 H 1 0.694 0.001 . 2 . . . . A 1912 LEU HD23 . 34744 1 510 . 1 . 1 45 45 LEU C C 13 178.483 0.000 . 1 . . . . A 1912 LEU C . 34744 1 511 . 1 . 1 45 45 LEU CA C 13 58.026 0.055 . 1 . . . . A 1912 LEU CA . 34744 1 512 . 1 . 1 45 45 LEU CB C 13 41.900 0.027 . 1 . . . . A 1912 LEU CB . 34744 1 513 . 1 . 1 45 45 LEU CD1 C 13 24.937 0.017 . 1 . . . . A 1912 LEU CD1 . 34744 1 514 . 1 . 1 45 45 LEU N N 15 122.099 0.000 . 1 . . . . A 1912 LEU N . 34744 1 515 . 1 . 1 46 46 MET H H 1 7.598 0.000 . 1 . . . . A 1913 MET H . 34744 1 516 . 1 . 1 46 46 MET HA H 1 4.041 0.002 . 1 . . . . A 1913 MET HA . 34744 1 517 . 1 . 1 46 46 MET HB2 H 1 2.191 0.001 . 2 . . . . A 1913 MET HB2 . 34744 1 518 . 1 . 1 46 46 MET HB3 H 1 2.191 0.001 . 2 . . . . A 1913 MET HB3 . 34744 1 519 . 1 . 1 46 46 MET HG2 H 1 2.557 0.003 . 2 . . . . A 1913 MET HG2 . 34744 1 520 . 1 . 1 46 46 MET HG3 H 1 2.624 0.004 . 2 . . . . A 1913 MET HG3 . 34744 1 521 . 1 . 1 46 46 MET HE1 H 1 2.060 0.000 . 1 . . . . A 1913 MET HE1 . 34744 1 522 . 1 . 1 46 46 MET HE2 H 1 2.060 0.000 . 1 . . . . A 1913 MET HE2 . 34744 1 523 . 1 . 1 46 46 MET HE3 H 1 2.060 0.000 . 1 . . . . A 1913 MET HE3 . 34744 1 524 . 1 . 1 46 46 MET C C 13 178.948 0.000 . 1 . . . . A 1913 MET C . 34744 1 525 . 1 . 1 46 46 MET CA C 13 58.043 0.056 . 1 . . . . A 1913 MET CA . 34744 1 526 . 1 . 1 46 46 MET CB C 13 31.422 0.046 . 1 . . . . A 1913 MET CB . 34744 1 527 . 1 . 1 46 46 MET CG C 13 32.625 0.044 . 1 . . . . A 1913 MET CG . 34744 1 528 . 1 . 1 46 46 MET CE C 13 17.120 0.000 . 1 . . . . A 1913 MET CE . 34744 1 529 . 1 . 1 46 46 MET N N 15 118.285 0.000 . 1 . . . . A 1913 MET N . 34744 1 530 . 1 . 1 47 47 ASN H H 1 7.905 0.000 . 1 . . . . A 1914 ASN H . 34744 1 531 . 1 . 1 47 47 ASN HA H 1 4.665 0.003 . 1 . . . . A 1914 ASN HA . 34744 1 532 . 1 . 1 47 47 ASN HB2 H 1 2.946 0.001 . 2 . . . . A 1914 ASN HB2 . 34744 1 533 . 1 . 1 47 47 ASN HB3 H 1 3.105 0.003 . 2 . . . . A 1914 ASN HB3 . 34744 1 534 . 1 . 1 47 47 ASN HD21 H 1 7.608 0.000 . 2 . . . . A 1914 ASN HD21 . 34744 1 535 . 1 . 1 47 47 ASN HD22 H 1 7.041 0.000 . 2 . . . . A 1914 ASN HD22 . 34744 1 536 . 1 . 1 47 47 ASN C C 13 177.739 0.000 . 1 . . . . A 1914 ASN C . 34744 1 537 . 1 . 1 47 47 ASN CA C 13 55.851 0.080 . 1 . . . . A 1914 ASN CA . 34744 1 538 . 1 . 1 47 47 ASN CB C 13 37.869 0.024 . 1 . . . . A 1914 ASN CB . 34744 1 539 . 1 . 1 47 47 ASN N N 15 120.098 0.000 . 1 . . . . A 1914 ASN N . 34744 1 540 . 1 . 1 47 47 ASN ND2 N 15 112.134 0.000 . 1 . . . . A 1914 ASN ND2 . 34744 1 541 . 1 . 1 48 48 LEU H H 1 8.252 0.000 . 1 . . . . A 1915 LEU H . 34744 1 542 . 1 . 1 48 48 LEU HA H 1 3.513 0.002 . 1 . . . . A 1915 LEU HA . 34744 1 543 . 1 . 1 48 48 LEU HB2 H 1 0.692 0.001 . 2 . . . . A 1915 LEU HB2 . 34744 1 544 . 1 . 1 48 48 LEU HB3 H 1 1.619 0.001 . 2 . . . . A 1915 LEU HB3 . 34744 1 545 . 1 . 1 48 48 LEU HG H 1 1.246 0.001 . 1 . . . . A 1915 LEU HG . 34744 1 546 . 1 . 1 48 48 LEU HD11 H 1 0.694 0.001 . 2 . . . . A 1915 LEU HD11 . 34744 1 547 . 1 . 1 48 48 LEU HD12 H 1 0.694 0.001 . 2 . . . . A 1915 LEU HD12 . 34744 1 548 . 1 . 1 48 48 LEU HD13 H 1 0.694 0.001 . 2 . . . . A 1915 LEU HD13 . 34744 1 549 . 1 . 1 48 48 LEU HD21 H 1 0.630 0.002 . 2 . . . . A 1915 LEU HD21 . 34744 1 550 . 1 . 1 48 48 LEU HD22 H 1 0.630 0.002 . 2 . . . . A 1915 LEU HD22 . 34744 1 551 . 1 . 1 48 48 LEU HD23 H 1 0.630 0.002 . 2 . . . . A 1915 LEU HD23 . 34744 1 552 . 1 . 1 48 48 LEU C C 13 177.456 0.000 . 1 . . . . A 1915 LEU C . 34744 1 553 . 1 . 1 48 48 LEU CA C 13 57.989 0.043 . 1 . . . . A 1915 LEU CA . 34744 1 554 . 1 . 1 48 48 LEU CB C 13 40.212 0.030 . 1 . . . . A 1915 LEU CB . 34744 1 555 . 1 . 1 48 48 LEU CG C 13 27.067 0.016 . 1 . . . . A 1915 LEU CG . 34744 1 556 . 1 . 1 48 48 LEU CD1 C 13 23.645 0.031 . 1 . . . . A 1915 LEU CD1 . 34744 1 557 . 1 . 1 48 48 LEU CD2 C 13 27.582 0.016 . 1 . . . . A 1915 LEU CD2 . 34744 1 558 . 1 . 1 48 48 LEU N N 15 124.229 0.000 . 1 . . . . A 1915 LEU N . 34744 1 559 . 1 . 1 49 49 ARG H H 1 8.365 0.000 . 1 . . . . A 1916 ARG H . 34744 1 560 . 1 . 1 49 49 ARG HA H 1 3.663 0.005 . 1 . . . . A 1916 ARG HA . 34744 1 561 . 1 . 1 49 49 ARG HB2 H 1 1.584 0.002 . 2 . . . . A 1916 ARG HB2 . 34744 1 562 . 1 . 1 49 49 ARG HB3 H 1 2.138 0.005 . 2 . . . . A 1916 ARG HB3 . 34744 1 563 . 1 . 1 49 49 ARG HG2 H 1 1.492 0.004 . 2 . . . . A 1916 ARG HG2 . 34744 1 564 . 1 . 1 49 49 ARG HG3 H 1 1.838 0.002 . 2 . . . . A 1916 ARG HG3 . 34744 1 565 . 1 . 1 49 49 ARG HD2 H 1 2.942 0.001 . 2 . . . . A 1916 ARG HD2 . 34744 1 566 . 1 . 1 49 49 ARG HD3 H 1 3.180 0.003 . 2 . . . . A 1916 ARG HD3 . 34744 1 567 . 1 . 1 49 49 ARG HE H 1 7.260 0.000 . 1 . . . . A 1916 ARG HE . 34744 1 568 . 1 . 1 49 49 ARG C C 13 179.093 0.000 . 1 . . . . A 1916 ARG C . 34744 1 569 . 1 . 1 49 49 ARG CA C 13 60.058 0.034 . 1 . . . . A 1916 ARG CA . 34744 1 570 . 1 . 1 49 49 ARG CB C 13 29.935 0.062 . 1 . . . . A 1916 ARG CB . 34744 1 571 . 1 . 1 49 49 ARG CG C 13 27.372 0.027 . 1 . . . . A 1916 ARG CG . 34744 1 572 . 1 . 1 49 49 ARG CD C 13 44.658 0.016 . 1 . . . . A 1916 ARG CD . 34744 1 573 . 1 . 1 49 49 ARG N N 15 120.512 0.000 . 1 . . . . A 1916 ARG N . 34744 1 574 . 1 . 1 49 49 ARG NE N 15 84.922 0.000 . 1 . . . . A 1916 ARG NE . 34744 1 575 . 1 . 1 50 50 PHE H H 1 7.873 0.000 . 1 . . . . A 1917 PHE H . 34744 1 576 . 1 . 1 50 50 PHE HA H 1 4.485 0.002 . 1 . . . . A 1917 PHE HA . 34744 1 577 . 1 . 1 50 50 PHE HB2 H 1 3.408 0.003 . 2 . . . . A 1917 PHE HB2 . 34744 1 578 . 1 . 1 50 50 PHE HB3 H 1 3.312 0.001 . 2 . . . . A 1917 PHE HB3 . 34744 1 579 . 1 . 1 50 50 PHE HD1 H 1 7.309 0.003 . 1 . . . . A 1917 PHE HD1 . 34744 1 580 . 1 . 1 50 50 PHE HD2 H 1 7.309 0.003 . 1 . . . . A 1917 PHE HD2 . 34744 1 581 . 1 . 1 50 50 PHE HE1 H 1 7.232 0.000 . 1 . . . . A 1917 PHE HE1 . 34744 1 582 . 1 . 1 50 50 PHE HE2 H 1 7.232 0.000 . 1 . . . . A 1917 PHE HE2 . 34744 1 583 . 1 . 1 50 50 PHE C C 13 177.562 0.000 . 1 . . . . A 1917 PHE C . 34744 1 584 . 1 . 1 50 50 PHE CA C 13 61.123 0.044 . 1 . . . . A 1917 PHE CA . 34744 1 585 . 1 . 1 50 50 PHE CB C 13 38.681 0.024 . 1 . . . . A 1917 PHE CB . 34744 1 586 . 1 . 1 50 50 PHE CD1 C 13 132.059 0.000 . 1 . . . . A 1917 PHE CD1 . 34744 1 587 . 1 . 1 50 50 PHE N N 15 120.094 0.000 . 1 . . . . A 1917 PHE N . 34744 1 588 . 1 . 1 51 51 GLU H H 1 8.247 0.000 . 1 . . . . A 1918 GLU H . 34744 1 589 . 1 . 1 51 51 GLU HA H 1 4.070 0.003 . 1 . . . . A 1918 GLU HA . 34744 1 590 . 1 . 1 51 51 GLU HB2 H 1 2.253 0.005 . 2 . . . . A 1918 GLU HB2 . 34744 1 591 . 1 . 1 51 51 GLU HB3 H 1 2.178 0.005 . 2 . . . . A 1918 GLU HB3 . 34744 1 592 . 1 . 1 51 51 GLU HG2 H 1 2.657 0.003 . 2 . . . . A 1918 GLU HG2 . 34744 1 593 . 1 . 1 51 51 GLU HG3 H 1 2.543 0.003 . 2 . . . . A 1918 GLU HG3 . 34744 1 594 . 1 . 1 51 51 GLU C C 13 179.606 0.000 . 1 . . . . A 1918 GLU C . 34744 1 595 . 1 . 1 51 51 GLU CA C 13 59.188 0.047 . 1 . . . . A 1918 GLU CA . 34744 1 596 . 1 . 1 51 51 GLU CB C 13 29.778 0.056 . 1 . . . . A 1918 GLU CB . 34744 1 597 . 1 . 1 51 51 GLU CG C 13 35.771 0.047 . 1 . . . . A 1918 GLU CG . 34744 1 598 . 1 . 1 51 51 GLU N N 15 119.972 0.000 . 1 . . . . A 1918 GLU N . 34744 1 599 . 1 . 1 52 52 ILE H H 1 8.769 0.000 . 1 . . . . A 1919 ILE H . 34744 1 600 . 1 . 1 52 52 ILE HA H 1 3.835 0.002 . 1 . . . . A 1919 ILE HA . 34744 1 601 . 1 . 1 52 52 ILE HB H 1 2.141 0.002 . 1 . . . . A 1919 ILE HB . 34744 1 602 . 1 . 1 52 52 ILE HG12 H 1 1.923 0.001 . 2 . . . . A 1919 ILE HG12 . 34744 1 603 . 1 . 1 52 52 ILE HG13 H 1 0.727 0.001 . 2 . . . . A 1919 ILE HG13 . 34744 1 604 . 1 . 1 52 52 ILE HG21 H 1 1.054 0.001 . 1 . . . . A 1919 ILE HG21 . 34744 1 605 . 1 . 1 52 52 ILE HG22 H 1 1.054 0.001 . 1 . . . . A 1919 ILE HG22 . 34744 1 606 . 1 . 1 52 52 ILE HG23 H 1 1.054 0.001 . 1 . . . . A 1919 ILE HG23 . 34744 1 607 . 1 . 1 52 52 ILE HD11 H 1 0.636 0.001 . 1 . . . . A 1919 ILE HD11 . 34744 1 608 . 1 . 1 52 52 ILE HD12 H 1 0.636 0.001 . 1 . . . . A 1919 ILE HD12 . 34744 1 609 . 1 . 1 52 52 ILE HD13 H 1 0.636 0.001 . 1 . . . . A 1919 ILE HD13 . 34744 1 610 . 1 . 1 52 52 ILE C C 13 178.547 0.000 . 1 . . . . A 1919 ILE C . 34744 1 611 . 1 . 1 52 52 ILE CA C 13 66.191 0.035 . 1 . . . . A 1919 ILE CA . 34744 1 612 . 1 . 1 52 52 ILE CB C 13 37.568 0.038 . 1 . . . . A 1919 ILE CB . 34744 1 613 . 1 . 1 52 52 ILE CG1 C 13 30.696 0.019 . 1 . . . . A 1919 ILE CG1 . 34744 1 614 . 1 . 1 52 52 ILE CG2 C 13 18.412 0.008 . 1 . . . . A 1919 ILE CG2 . 34744 1 615 . 1 . 1 52 52 ILE CD1 C 13 14.574 0.019 . 1 . . . . A 1919 ILE CD1 . 34744 1 616 . 1 . 1 52 52 ILE N N 15 120.158 0.000 . 1 . . . . A 1919 ILE N . 34744 1 617 . 1 . 1 53 53 THR H H 1 8.123 0.000 . 1 . . . . A 1920 THR H . 34744 1 618 . 1 . 1 53 53 THR HA H 1 3.648 0.003 . 1 . . . . A 1920 THR HA . 34744 1 619 . 1 . 1 53 53 THR HB H 1 4.282 0.002 . 1 . . . . A 1920 THR HB . 34744 1 620 . 1 . 1 53 53 THR HG21 H 1 0.994 0.001 . 1 . . . . A 1920 THR HG21 . 34744 1 621 . 1 . 1 53 53 THR HG22 H 1 0.994 0.001 . 1 . . . . A 1920 THR HG22 . 34744 1 622 . 1 . 1 53 53 THR HG23 H 1 0.994 0.001 . 1 . . . . A 1920 THR HG23 . 34744 1 623 . 1 . 1 53 53 THR C C 13 177.364 0.000 . 1 . . . . A 1920 THR C . 34744 1 624 . 1 . 1 53 53 THR CA C 13 67.691 0.061 . 1 . . . . A 1920 THR CA . 34744 1 625 . 1 . 1 53 53 THR CB C 13 68.370 0.025 . 1 . . . . A 1920 THR CB . 34744 1 626 . 1 . 1 53 53 THR CG2 C 13 22.069 0.031 . 1 . . . . A 1920 THR CG2 . 34744 1 627 . 1 . 1 53 53 THR N N 15 120.659 0.000 . 1 . . . . A 1920 THR N . 34744 1 628 . 1 . 1 54 54 GLU H H 1 7.936 0.000 . 1 . . . . A 1921 GLU H . 34744 1 629 . 1 . 1 54 54 GLU HA H 1 3.774 0.002 . 1 . . . . A 1921 GLU HA . 34744 1 630 . 1 . 1 54 54 GLU HB2 H 1 1.871 0.001 . 2 . . . . A 1921 GLU HB2 . 34744 1 631 . 1 . 1 54 54 GLU HB3 H 1 1.871 0.001 . 2 . . . . A 1921 GLU HB3 . 34744 1 632 . 1 . 1 54 54 GLU HG2 H 1 1.780 0.001 . 2 . . . . A 1921 GLU HG2 . 34744 1 633 . 1 . 1 54 54 GLU HG3 H 1 1.874 0.002 . 2 . . . . A 1921 GLU HG3 . 34744 1 634 . 1 . 1 54 54 GLU C C 13 178.269 0.000 . 1 . . . . A 1921 GLU C . 34744 1 635 . 1 . 1 54 54 GLU CA C 13 59.251 0.051 . 1 . . . . A 1921 GLU CA . 34744 1 636 . 1 . 1 54 54 GLU CB C 13 30.096 0.040 . 1 . . . . A 1921 GLU CB . 34744 1 637 . 1 . 1 54 54 GLU CG C 13 36.249 0.041 . 1 . . . . A 1921 GLU CG . 34744 1 638 . 1 . 1 54 54 GLU N N 15 120.686 0.000 . 1 . . . . A 1921 GLU N . 34744 1 639 . 1 . 1 55 55 ARG H H 1 8.430 0.000 . 1 . . . . A 1922 ARG H . 34744 1 640 . 1 . 1 55 55 ARG HA H 1 3.993 0.002 . 1 . . . . A 1922 ARG HA . 34744 1 641 . 1 . 1 55 55 ARG HB2 H 1 1.413 0.001 . 2 . . . . A 1922 ARG HB2 . 34744 1 642 . 1 . 1 55 55 ARG HB3 H 1 1.143 0.002 . 2 . . . . A 1922 ARG HB3 . 34744 1 643 . 1 . 1 55 55 ARG HG2 H 1 1.338 0.002 . 2 . . . . A 1922 ARG HG2 . 34744 1 644 . 1 . 1 55 55 ARG HG3 H 1 1.338 0.002 . 2 . . . . A 1922 ARG HG3 . 34744 1 645 . 1 . 1 55 55 ARG HD2 H 1 3.043 0.003 . 2 . . . . A 1922 ARG HD2 . 34744 1 646 . 1 . 1 55 55 ARG HD3 H 1 2.804 0.002 . 2 . . . . A 1922 ARG HD3 . 34744 1 647 . 1 . 1 55 55 ARG HE H 1 7.738 0.001 . 1 . . . . A 1922 ARG HE . 34744 1 648 . 1 . 1 55 55 ARG C C 13 177.718 0.000 . 1 . . . . A 1922 ARG C . 34744 1 649 . 1 . 1 55 55 ARG CA C 13 57.626 0.036 . 1 . . . . A 1922 ARG CA . 34744 1 650 . 1 . 1 55 55 ARG CB C 13 30.936 0.032 . 1 . . . . A 1922 ARG CB . 34744 1 651 . 1 . 1 55 55 ARG CG C 13 27.601 0.030 . 1 . . . . A 1922 ARG CG . 34744 1 652 . 1 . 1 55 55 ARG CD C 13 42.959 0.027 . 1 . . . . A 1922 ARG CD . 34744 1 653 . 1 . 1 55 55 ARG N N 15 115.783 0.000 . 1 . . . . A 1922 ARG N . 34744 1 654 . 1 . 1 55 55 ARG NE N 15 84.811 0.001 . 1 . . . . A 1922 ARG NE . 34744 1 655 . 1 . 1 56 56 PHE H H 1 8.687 0.000 . 1 . . . . A 1923 PHE H . 34744 1 656 . 1 . 1 56 56 PHE HA H 1 4.778 0.004 . 1 . . . . A 1923 PHE HA . 34744 1 657 . 1 . 1 56 56 PHE HB2 H 1 2.929 0.003 . 2 . . . . A 1923 PHE HB2 . 34744 1 658 . 1 . 1 56 56 PHE HB3 H 1 3.345 0.001 . 2 . . . . A 1923 PHE HB3 . 34744 1 659 . 1 . 1 56 56 PHE HD1 H 1 7.399 0.000 . 1 . . . . A 1923 PHE HD1 . 34744 1 660 . 1 . 1 56 56 PHE HD2 H 1 7.399 0.000 . 1 . . . . A 1923 PHE HD2 . 34744 1 661 . 1 . 1 56 56 PHE HE1 H 1 7.134 0.002 . 1 . . . . A 1923 PHE HE1 . 34744 1 662 . 1 . 1 56 56 PHE HE2 H 1 7.134 0.002 . 1 . . . . A 1923 PHE HE2 . 34744 1 663 . 1 . 1 56 56 PHE HZ H 1 6.936 0.001 . 1 . . . . A 1923 PHE HZ . 34744 1 664 . 1 . 1 56 56 PHE C C 13 176.765 0.000 . 1 . . . . A 1923 PHE C . 34744 1 665 . 1 . 1 56 56 PHE CA C 13 57.580 0.105 . 1 . . . . A 1923 PHE CA . 34744 1 666 . 1 . 1 56 56 PHE CB C 13 40.382 0.030 . 1 . . . . A 1923 PHE CB . 34744 1 667 . 1 . 1 56 56 PHE CD1 C 13 132.421 0.000 . 1 . . . . A 1923 PHE CD1 . 34744 1 668 . 1 . 1 56 56 PHE CE1 C 13 130.801 0.000 . 1 . . . . A 1923 PHE CE1 . 34744 1 669 . 1 . 1 56 56 PHE CZ C 13 128.871 0.000 . 1 . . . . A 1923 PHE CZ . 34744 1 670 . 1 . 1 56 56 PHE N N 15 113.221 0.000 . 1 . . . . A 1923 PHE N . 34744 1 671 . 1 . 1 57 57 GLY H H 1 7.779 0.000 . 1 . . . . A 1924 GLY H . 34744 1 672 . 1 . 1 57 57 GLY HA2 H 1 4.015 0.003 . 2 . . . . A 1924 GLY HA2 . 34744 1 673 . 1 . 1 57 57 GLY HA3 H 1 4.015 0.003 . 2 . . . . A 1924 GLY HA3 . 34744 1 674 . 1 . 1 57 57 GLY C C 13 173.628 0.000 . 1 . . . . A 1924 GLY C . 34744 1 675 . 1 . 1 57 57 GLY CA C 13 46.616 0.050 . 1 . . . . A 1924 GLY CA . 34744 1 676 . 1 . 1 57 57 GLY N N 15 108.686 0.000 . 1 . . . . A 1924 GLY N . 34744 1 677 . 1 . 1 58 58 ARG H H 1 6.638 0.000 . 1 . . . . A 1925 ARG H . 34744 1 678 . 1 . 1 58 58 ARG HA H 1 4.667 0.001 . 1 . . . . A 1925 ARG HA . 34744 1 679 . 1 . 1 58 58 ARG HB2 H 1 1.511 0.008 . 2 . . . . A 1925 ARG HB2 . 34744 1 680 . 1 . 1 58 58 ARG HB3 H 1 1.362 0.001 . 2 . . . . A 1925 ARG HB3 . 34744 1 681 . 1 . 1 58 58 ARG HG2 H 1 1.569 0.002 . 2 . . . . A 1925 ARG HG2 . 34744 1 682 . 1 . 1 58 58 ARG HG3 H 1 1.488 0.002 . 2 . . . . A 1925 ARG HG3 . 34744 1 683 . 1 . 1 58 58 ARG HD2 H 1 3.185 0.002 . 2 . . . . A 1925 ARG HD2 . 34744 1 684 . 1 . 1 58 58 ARG HD3 H 1 3.130 0.004 . 2 . . . . A 1925 ARG HD3 . 34744 1 685 . 1 . 1 58 58 ARG C C 13 174.141 0.000 . 1 . . . . A 1925 ARG C . 34744 1 686 . 1 . 1 58 58 ARG CA C 13 53.510 0.117 . 1 . . . . A 1925 ARG CA . 34744 1 687 . 1 . 1 58 58 ARG CB C 13 33.330 0.036 . 1 . . . . A 1925 ARG CB . 34744 1 688 . 1 . 1 58 58 ARG CG C 13 26.470 0.048 . 1 . . . . A 1925 ARG CG . 34744 1 689 . 1 . 1 58 58 ARG CD C 13 42.705 0.066 . 1 . . . . A 1925 ARG CD . 34744 1 690 . 1 . 1 58 58 ARG N N 15 116.117 0.000 . 1 . . . . A 1925 ARG N . 34744 1 691 . 1 . 1 59 59 THR H H 1 8.917 0.000 . 1 . . . . A 1926 THR H . 34744 1 692 . 1 . 1 59 59 THR HA H 1 4.573 0.003 . 1 . . . . A 1926 THR HA . 34744 1 693 . 1 . 1 59 59 THR HB H 1 3.877 0.001 . 1 . . . . A 1926 THR HB . 34744 1 694 . 1 . 1 59 59 THR HG21 H 1 0.983 0.001 . 1 . . . . A 1926 THR HG21 . 34744 1 695 . 1 . 1 59 59 THR HG22 H 1 0.983 0.001 . 1 . . . . A 1926 THR HG22 . 34744 1 696 . 1 . 1 59 59 THR HG23 H 1 0.983 0.001 . 1 . . . . A 1926 THR HG23 . 34744 1 697 . 1 . 1 59 59 THR C C 13 173.885 0.000 . 1 . . . . A 1926 THR C . 34744 1 698 . 1 . 1 59 59 THR CA C 13 61.224 0.042 . 1 . . . . A 1926 THR CA . 34744 1 699 . 1 . 1 59 59 THR CB C 13 68.987 0.150 . 1 . . . . A 1926 THR CB . 34744 1 700 . 1 . 1 59 59 THR CG2 C 13 21.718 0.042 . 1 . . . . A 1926 THR CG2 . 34744 1 701 . 1 . 1 59 59 THR N N 15 121.653 0.000 . 1 . . . . A 1926 THR N . 34744 1 702 . 1 . 1 60 60 LEU H H 1 8.731 0.000 . 1 . . . . A 1927 LEU H . 34744 1 703 . 1 . 1 60 60 LEU HA H 1 4.725 0.003 . 1 . . . . A 1927 LEU HA . 34744 1 704 . 1 . 1 60 60 LEU HB2 H 1 1.421 0.003 . 2 . . . . A 1927 LEU HB2 . 34744 1 705 . 1 . 1 60 60 LEU HB3 H 1 1.152 0.004 . 2 . . . . A 1927 LEU HB3 . 34744 1 706 . 1 . 1 60 60 LEU HG H 1 1.457 0.000 . 1 . . . . A 1927 LEU HG . 34744 1 707 . 1 . 1 60 60 LEU HD11 H 1 0.665 0.003 . 2 . . . . A 1927 LEU HD11 . 34744 1 708 . 1 . 1 60 60 LEU HD12 H 1 0.665 0.003 . 2 . . . . A 1927 LEU HD12 . 34744 1 709 . 1 . 1 60 60 LEU HD13 H 1 0.665 0.003 . 2 . . . . A 1927 LEU HD13 . 34744 1 710 . 1 . 1 60 60 LEU HD21 H 1 0.622 0.001 . 2 . . . . A 1927 LEU HD21 . 34744 1 711 . 1 . 1 60 60 LEU HD22 H 1 0.622 0.001 . 2 . . . . A 1927 LEU HD22 . 34744 1 712 . 1 . 1 60 60 LEU HD23 H 1 0.622 0.001 . 2 . . . . A 1927 LEU HD23 . 34744 1 713 . 1 . 1 60 60 LEU CA C 13 51.380 0.101 . 1 . . . . A 1927 LEU CA . 34744 1 714 . 1 . 1 60 60 LEU CB C 13 42.199 0.024 . 1 . . . . A 1927 LEU CB . 34744 1 715 . 1 . 1 60 60 LEU CG C 13 27.189 0.107 . 1 . . . . A 1927 LEU CG . 34744 1 716 . 1 . 1 60 60 LEU CD1 C 13 25.792 0.070 . 1 . . . . A 1927 LEU CD1 . 34744 1 717 . 1 . 1 60 60 LEU CD2 C 13 22.923 0.032 . 1 . . . . A 1927 LEU CD2 . 34744 1 718 . 1 . 1 60 60 LEU N N 15 130.674 0.000 . 1 . . . . A 1927 LEU N . 34744 1 719 . 1 . 1 61 61 PRO HA H 1 4.434 0.000 . 1 . . . . A 1928 PRO HA . 34744 1 720 . 1 . 1 61 61 PRO HB2 H 1 1.775 0.002 . 2 . . . . A 1928 PRO HB2 . 34744 1 721 . 1 . 1 61 61 PRO HB3 H 1 2.393 0.002 . 2 . . . . A 1928 PRO HB3 . 34744 1 722 . 1 . 1 61 61 PRO HG2 H 1 2.056 0.002 . 2 . . . . A 1928 PRO HG2 . 34744 1 723 . 1 . 1 61 61 PRO HG3 H 1 1.979 0.000 . 2 . . . . A 1928 PRO HG3 . 34744 1 724 . 1 . 1 61 61 PRO HD2 H 1 3.320 0.001 . 2 . . . . A 1928 PRO HD2 . 34744 1 725 . 1 . 1 61 61 PRO HD3 H 1 3.871 0.001 . 2 . . . . A 1928 PRO HD3 . 34744 1 726 . 1 . 1 61 61 PRO C C 13 177.295 0.000 . 1 . . . . A 1928 PRO C . 34744 1 727 . 1 . 1 61 61 PRO CA C 13 62.080 0.007 . 1 . . . . A 1928 PRO CA . 34744 1 728 . 1 . 1 61 61 PRO CB C 13 32.223 0.028 . 1 . . . . A 1928 PRO CB . 34744 1 729 . 1 . 1 61 61 PRO CG C 13 27.658 0.041 . 1 . . . . A 1928 PRO CG . 34744 1 730 . 1 . 1 61 61 PRO CD C 13 50.506 0.026 . 1 . . . . A 1928 PRO CD . 34744 1 731 . 1 . 1 62 62 LEU H H 1 8.712 0.000 . 1 . . . . A 1929 LEU H . 34744 1 732 . 1 . 1 62 62 LEU HA H 1 3.737 0.003 . 1 . . . . A 1929 LEU HA . 34744 1 733 . 1 . 1 62 62 LEU HB2 H 1 1.542 0.002 . 2 . . . . A 1929 LEU HB2 . 34744 1 734 . 1 . 1 62 62 LEU HB3 H 1 1.542 0.002 . 2 . . . . A 1929 LEU HB3 . 34744 1 735 . 1 . 1 62 62 LEU HG H 1 1.592 0.002 . 1 . . . . A 1929 LEU HG . 34744 1 736 . 1 . 1 62 62 LEU HD11 H 1 0.855 0.001 . 2 . . . . A 1929 LEU HD11 . 34744 1 737 . 1 . 1 62 62 LEU HD12 H 1 0.855 0.001 . 2 . . . . A 1929 LEU HD12 . 34744 1 738 . 1 . 1 62 62 LEU HD13 H 1 0.855 0.001 . 2 . . . . A 1929 LEU HD13 . 34744 1 739 . 1 . 1 62 62 LEU HD21 H 1 0.779 0.001 . 2 . . . . A 1929 LEU HD21 . 34744 1 740 . 1 . 1 62 62 LEU HD22 H 1 0.779 0.001 . 2 . . . . A 1929 LEU HD22 . 34744 1 741 . 1 . 1 62 62 LEU HD23 H 1 0.779 0.001 . 2 . . . . A 1929 LEU HD23 . 34744 1 742 . 1 . 1 62 62 LEU C C 13 178.978 0.000 . 1 . . . . A 1929 LEU C . 34744 1 743 . 1 . 1 62 62 LEU CA C 13 58.418 0.045 . 1 . . . . A 1929 LEU CA . 34744 1 744 . 1 . 1 62 62 LEU CB C 13 41.754 0.045 . 1 . . . . A 1929 LEU CB . 34744 1 745 . 1 . 1 62 62 LEU CG C 13 27.150 0.014 . 1 . . . . A 1929 LEU CG . 34744 1 746 . 1 . 1 62 62 LEU CD1 C 13 25.117 0.050 . 1 . . . . A 1929 LEU CD1 . 34744 1 747 . 1 . 1 62 62 LEU CD2 C 13 24.309 0.036 . 1 . . . . A 1929 LEU CD2 . 34744 1 748 . 1 . 1 62 62 LEU N N 15 124.157 0.000 . 1 . . . . A 1929 LEU N . 34744 1 749 . 1 . 1 63 63 GLN H H 1 8.878 0.000 . 1 . . . . A 1930 GLN H . 34744 1 750 . 1 . 1 63 63 GLN HA H 1 3.834 0.002 . 1 . . . . A 1930 GLN HA . 34744 1 751 . 1 . 1 63 63 GLN HB2 H 1 2.015 0.002 . 2 . . . . A 1930 GLN HB2 . 34744 1 752 . 1 . 1 63 63 GLN HB3 H 1 1.808 0.001 . 2 . . . . A 1930 GLN HB3 . 34744 1 753 . 1 . 1 63 63 GLN HG2 H 1 2.277 0.001 . 2 . . . . A 1930 GLN HG2 . 34744 1 754 . 1 . 1 63 63 GLN HG3 H 1 2.277 0.001 . 2 . . . . A 1930 GLN HG3 . 34744 1 755 . 1 . 1 63 63 GLN HE21 H 1 7.793 0.000 . 2 . . . . A 1930 GLN HE21 . 34744 1 756 . 1 . 1 63 63 GLN HE22 H 1 6.773 0.000 . 2 . . . . A 1930 GLN HE22 . 34744 1 757 . 1 . 1 63 63 GLN C C 13 177.346 0.000 . 1 . . . . A 1930 GLN C . 34744 1 758 . 1 . 1 63 63 GLN CA C 13 59.033 0.034 . 1 . . . . A 1930 GLN CA . 34744 1 759 . 1 . 1 63 63 GLN CB C 13 27.588 0.038 . 1 . . . . A 1930 GLN CB . 34744 1 760 . 1 . 1 63 63 GLN CG C 13 33.106 0.014 . 1 . . . . A 1930 GLN CG . 34744 1 761 . 1 . 1 63 63 GLN N N 15 117.127 0.000 . 1 . . . . A 1930 GLN N . 34744 1 762 . 1 . 1 63 63 GLN NE2 N 15 112.978 0.001 . 1 . . . . A 1930 GLN NE2 . 34744 1 763 . 1 . 1 64 64 LEU H H 1 6.408 0.000 . 1 . . . . A 1931 LEU H . 34744 1 764 . 1 . 1 64 64 LEU HA H 1 4.011 0.002 . 1 . . . . A 1931 LEU HA . 34744 1 765 . 1 . 1 64 64 LEU HB2 H 1 1.568 0.000 . 2 . . . . A 1931 LEU HB2 . 34744 1 766 . 1 . 1 64 64 LEU HB3 H 1 1.486 0.000 . 2 . . . . A 1931 LEU HB3 . 34744 1 767 . 1 . 1 64 64 LEU HG H 1 1.188 0.003 . 1 . . . . A 1931 LEU HG . 34744 1 768 . 1 . 1 64 64 LEU HD11 H 1 0.582 0.001 . 2 . . . . A 1931 LEU HD11 . 34744 1 769 . 1 . 1 64 64 LEU HD12 H 1 0.582 0.001 . 2 . . . . A 1931 LEU HD12 . 34744 1 770 . 1 . 1 64 64 LEU HD13 H 1 0.582 0.001 . 2 . . . . A 1931 LEU HD13 . 34744 1 771 . 1 . 1 64 64 LEU HD21 H 1 0.344 0.001 . 2 . . . . A 1931 LEU HD21 . 34744 1 772 . 1 . 1 64 64 LEU HD22 H 1 0.344 0.001 . 2 . . . . A 1931 LEU HD22 . 34744 1 773 . 1 . 1 64 64 LEU HD23 H 1 0.344 0.001 . 2 . . . . A 1931 LEU HD23 . 34744 1 774 . 1 . 1 64 64 LEU C C 13 179.382 0.000 . 1 . . . . A 1931 LEU C . 34744 1 775 . 1 . 1 64 64 LEU CA C 13 57.403 0.051 . 1 . . . . A 1931 LEU CA . 34744 1 776 . 1 . 1 64 64 LEU CB C 13 42.266 0.035 . 1 . . . . A 1931 LEU CB . 34744 1 777 . 1 . 1 64 64 LEU CG C 13 26.743 0.033 . 1 . . . . A 1931 LEU CG . 34744 1 778 . 1 . 1 64 64 LEU CD1 C 13 23.691 0.027 . 1 . . . . A 1931 LEU CD1 . 34744 1 779 . 1 . 1 64 64 LEU CD2 C 13 25.471 0.046 . 1 . . . . A 1931 LEU CD2 . 34744 1 780 . 1 . 1 64 64 LEU N N 15 118.179 0.003 . 1 . . . . A 1931 LEU N . 34744 1 781 . 1 . 1 65 65 LEU H H 1 7.586 0.000 . 1 . . . . A 1932 LEU H . 34744 1 782 . 1 . 1 65 65 LEU HA H 1 3.747 0.004 . 1 . . . . A 1932 LEU HA . 34744 1 783 . 1 . 1 65 65 LEU HB2 H 1 1.331 0.001 . 2 . . . . A 1932 LEU HB2 . 34744 1 784 . 1 . 1 65 65 LEU HB3 H 1 1.794 0.001 . 2 . . . . A 1932 LEU HB3 . 34744 1 785 . 1 . 1 65 65 LEU HG H 1 1.495 0.002 . 1 . . . . A 1932 LEU HG . 34744 1 786 . 1 . 1 65 65 LEU HD11 H 1 0.661 0.001 . 2 . . . . A 1932 LEU HD11 . 34744 1 787 . 1 . 1 65 65 LEU HD12 H 1 0.661 0.001 . 2 . . . . A 1932 LEU HD12 . 34744 1 788 . 1 . 1 65 65 LEU HD13 H 1 0.661 0.001 . 2 . . . . A 1932 LEU HD13 . 34744 1 789 . 1 . 1 65 65 LEU HD21 H 1 0.627 0.001 . 2 . . . . A 1932 LEU HD21 . 34744 1 790 . 1 . 1 65 65 LEU HD22 H 1 0.627 0.001 . 2 . . . . A 1932 LEU HD22 . 34744 1 791 . 1 . 1 65 65 LEU HD23 H 1 0.627 0.001 . 2 . . . . A 1932 LEU HD23 . 34744 1 792 . 1 . 1 65 65 LEU C C 13 176.749 0.000 . 1 . . . . A 1932 LEU C . 34744 1 793 . 1 . 1 65 65 LEU CA C 13 58.439 0.025 . 1 . . . . A 1932 LEU CA . 34744 1 794 . 1 . 1 65 65 LEU CB C 13 42.407 0.011 . 1 . . . . A 1932 LEU CB . 34744 1 795 . 1 . 1 65 65 LEU CG C 13 26.649 0.087 . 1 . . . . A 1932 LEU CG . 34744 1 796 . 1 . 1 65 65 LEU CD1 C 13 25.832 0.017 . 1 . . . . A 1932 LEU CD1 . 34744 1 797 . 1 . 1 65 65 LEU CD2 C 13 25.560 0.010 . 1 . . . . A 1932 LEU CD2 . 34744 1 798 . 1 . 1 65 65 LEU N N 15 118.291 0.000 . 1 . . . . A 1932 LEU N . 34744 1 799 . 1 . 1 66 66 SER H H 1 7.830 0.000 . 1 . . . . A 1933 SER H . 34744 1 800 . 1 . 1 66 66 SER HA H 1 3.799 0.009 . 1 . . . . A 1933 SER HA . 34744 1 801 . 1 . 1 66 66 SER HB2 H 1 3.850 0.001 . 2 . . . . A 1933 SER HB2 . 34744 1 802 . 1 . 1 66 66 SER HB3 H 1 3.850 0.001 . 2 . . . . A 1933 SER HB3 . 34744 1 803 . 1 . 1 66 66 SER C C 13 174.806 0.000 . 1 . . . . A 1933 SER C . 34744 1 804 . 1 . 1 66 66 SER CA C 13 61.774 0.050 . 1 . . . . A 1933 SER CA . 34744 1 805 . 1 . 1 66 66 SER CB C 13 63.641 0.038 . 1 . . . . A 1933 SER CB . 34744 1 806 . 1 . 1 66 66 SER N N 15 108.592 0.000 . 1 . . . . A 1933 SER N . 34744 1 807 . 1 . 1 67 67 GLU H H 1 7.173 0.000 . 1 . . . . A 1934 GLU H . 34744 1 808 . 1 . 1 67 67 GLU HA H 1 4.470 0.003 . 1 . . . . A 1934 GLU HA . 34744 1 809 . 1 . 1 67 67 GLU HB2 H 1 2.159 0.003 . 2 . . . . A 1934 GLU HB2 . 34744 1 810 . 1 . 1 67 67 GLU HB3 H 1 2.017 0.001 . 2 . . . . A 1934 GLU HB3 . 34744 1 811 . 1 . 1 67 67 GLU HG2 H 1 2.359 0.001 . 2 . . . . A 1934 GLU HG2 . 34744 1 812 . 1 . 1 67 67 GLU HG3 H 1 2.433 0.003 . 2 . . . . A 1934 GLU HG3 . 34744 1 813 . 1 . 1 67 67 GLU C C 13 176.042 0.000 . 1 . . . . A 1934 GLU C . 34744 1 814 . 1 . 1 67 67 GLU CA C 13 55.710 0.050 . 1 . . . . A 1934 GLU CA . 34744 1 815 . 1 . 1 67 67 GLU CB C 13 30.113 0.030 . 1 . . . . A 1934 GLU CB . 34744 1 816 . 1 . 1 67 67 GLU CG C 13 35.921 0.028 . 1 . . . . A 1934 GLU CG . 34744 1 817 . 1 . 1 67 67 GLU N N 15 113.240 0.000 . 1 . . . . A 1934 GLU N . 34744 1 818 . 1 . 1 68 68 SER H H 1 7.273 0.000 . 1 . . . . A 1935 SER H . 34744 1 819 . 1 . 1 68 68 SER HA H 1 4.980 0.003 . 1 . . . . A 1935 SER HA . 34744 1 820 . 1 . 1 68 68 SER HB2 H 1 3.646 0.001 . 2 . . . . A 1935 SER HB2 . 34744 1 821 . 1 . 1 68 68 SER HB3 H 1 3.844 0.003 . 2 . . . . A 1935 SER HB3 . 34744 1 822 . 1 . 1 68 68 SER HG H 1 5.678 0.003 . 1 . . . . A 1935 SER HG . 34744 1 823 . 1 . 1 68 68 SER C C 13 172.904 0.000 . 1 . . . . A 1935 SER C . 34744 1 824 . 1 . 1 68 68 SER CA C 13 58.976 0.063 . 1 . . . . A 1935 SER CA . 34744 1 825 . 1 . 1 68 68 SER CB C 13 65.861 0.023 . 1 . . . . A 1935 SER CB . 34744 1 826 . 1 . 1 68 68 SER N N 15 115.077 0.000 . 1 . . . . A 1935 SER N . 34744 1 827 . 1 . 1 69 69 THR H H 1 7.060 0.000 . 1 . . . . A 1936 THR H . 34744 1 828 . 1 . 1 69 69 THR HA H 1 4.479 0.001 . 1 . . . . A 1936 THR HA . 34744 1 829 . 1 . 1 69 69 THR HB H 1 4.633 0.002 . 1 . . . . A 1936 THR HB . 34744 1 830 . 1 . 1 69 69 THR HG1 H 1 5.350 0.002 . 1 . . . . A 1936 THR HG1 . 34744 1 831 . 1 . 1 69 69 THR HG21 H 1 0.953 0.001 . 1 . . . . A 1936 THR HG21 . 34744 1 832 . 1 . 1 69 69 THR HG22 H 1 0.953 0.001 . 1 . . . . A 1936 THR HG22 . 34744 1 833 . 1 . 1 69 69 THR HG23 H 1 0.953 0.001 . 1 . . . . A 1936 THR HG23 . 34744 1 834 . 1 . 1 69 69 THR C C 13 175.271 0.000 . 1 . . . . A 1936 THR C . 34744 1 835 . 1 . 1 69 69 THR CA C 13 59.397 0.051 . 1 . . . . A 1936 THR CA . 34744 1 836 . 1 . 1 69 69 THR CB C 13 70.466 0.077 . 1 . . . . A 1936 THR CB . 34744 1 837 . 1 . 1 69 69 THR CG2 C 13 21.389 0.040 . 1 . . . . A 1936 THR CG2 . 34744 1 838 . 1 . 1 69 69 THR N N 15 110.457 0.000 . 1 . . . . A 1936 THR N . 34744 1 839 . 1 . 1 70 70 VAL H H 1 9.769 0.000 . 1 . . . . A 1937 VAL H . 34744 1 840 . 1 . 1 70 70 VAL HA H 1 3.615 0.001 . 1 . . . . A 1937 VAL HA . 34744 1 841 . 1 . 1 70 70 VAL HB H 1 2.079 0.002 . 1 . . . . A 1937 VAL HB . 34744 1 842 . 1 . 1 70 70 VAL HG11 H 1 0.835 0.001 . 2 . . . . A 1937 VAL HG11 . 34744 1 843 . 1 . 1 70 70 VAL HG12 H 1 0.835 0.001 . 2 . . . . A 1937 VAL HG12 . 34744 1 844 . 1 . 1 70 70 VAL HG13 H 1 0.835 0.001 . 2 . . . . A 1937 VAL HG13 . 34744 1 845 . 1 . 1 70 70 VAL HG21 H 1 0.916 0.001 . 2 . . . . A 1937 VAL HG21 . 34744 1 846 . 1 . 1 70 70 VAL HG22 H 1 0.916 0.001 . 2 . . . . A 1937 VAL HG22 . 34744 1 847 . 1 . 1 70 70 VAL HG23 H 1 0.916 0.001 . 2 . . . . A 1937 VAL HG23 . 34744 1 848 . 1 . 1 70 70 VAL CA C 13 69.501 0.031 . 1 . . . . A 1937 VAL CA . 34744 1 849 . 1 . 1 70 70 VAL CB C 13 29.393 0.041 . 1 . . . . A 1937 VAL CB . 34744 1 850 . 1 . 1 70 70 VAL CG1 C 13 21.841 0.018 . 1 . . . . A 1937 VAL CG1 . 34744 1 851 . 1 . 1 70 70 VAL CG2 C 13 24.847 0.018 . 1 . . . . A 1937 VAL CG2 . 34744 1 852 . 1 . 1 70 70 VAL N N 15 120.213 0.000 . 1 . . . . A 1937 VAL N . 34744 1 853 . 1 . 1 71 71 PRO HA H 1 4.154 0.002 . 1 . . . . A 1938 PRO HA . 34744 1 854 . 1 . 1 71 71 PRO HB2 H 1 1.745 0.003 . 2 . . . . A 1938 PRO HB2 . 34744 1 855 . 1 . 1 71 71 PRO HB3 H 1 2.307 0.002 . 2 . . . . A 1938 PRO HB3 . 34744 1 856 . 1 . 1 71 71 PRO HG2 H 1 2.223 0.001 . 2 . . . . A 1938 PRO HG2 . 34744 1 857 . 1 . 1 71 71 PRO HG3 H 1 1.877 0.001 . 2 . . . . A 1938 PRO HG3 . 34744 1 858 . 1 . 1 71 71 PRO HD2 H 1 4.032 0.001 . 2 . . . . A 1938 PRO HD2 . 34744 1 859 . 1 . 1 71 71 PRO HD3 H 1 3.601 0.001 . 2 . . . . A 1938 PRO HD3 . 34744 1 860 . 1 . 1 71 71 PRO C C 13 179.774 0.000 . 1 . . . . A 1938 PRO C . 34744 1 861 . 1 . 1 71 71 PRO CA C 13 66.301 0.014 . 1 . . . . A 1938 PRO CA . 34744 1 862 . 1 . 1 71 71 PRO CB C 13 31.160 0.057 . 1 . . . . A 1938 PRO CB . 34744 1 863 . 1 . 1 71 71 PRO CG C 13 28.749 0.044 . 1 . . . . A 1938 PRO CG . 34744 1 864 . 1 . 1 71 71 PRO CD C 13 49.670 0.013 . 1 . . . . A 1938 PRO CD . 34744 1 865 . 1 . 1 72 72 VAL H H 1 7.038 0.000 . 1 . . . . A 1939 VAL H . 34744 1 866 . 1 . 1 72 72 VAL HA H 1 3.646 0.002 . 1 . . . . A 1939 VAL HA . 34744 1 867 . 1 . 1 72 72 VAL HB H 1 2.111 0.002 . 1 . . . . A 1939 VAL HB . 34744 1 868 . 1 . 1 72 72 VAL HG11 H 1 0.984 0.002 . 2 . . . . A 1939 VAL HG11 . 34744 1 869 . 1 . 1 72 72 VAL HG12 H 1 0.984 0.002 . 2 . . . . A 1939 VAL HG12 . 34744 1 870 . 1 . 1 72 72 VAL HG13 H 1 0.984 0.002 . 2 . . . . A 1939 VAL HG13 . 34744 1 871 . 1 . 1 72 72 VAL HG21 H 1 1.000 0.001 . 2 . . . . A 1939 VAL HG21 . 34744 1 872 . 1 . 1 72 72 VAL HG22 H 1 1.000 0.001 . 2 . . . . A 1939 VAL HG22 . 34744 1 873 . 1 . 1 72 72 VAL HG23 H 1 1.000 0.001 . 2 . . . . A 1939 VAL HG23 . 34744 1 874 . 1 . 1 72 72 VAL C C 13 178.624 0.000 . 1 . . . . A 1939 VAL C . 34744 1 875 . 1 . 1 72 72 VAL CA C 13 66.324 0.029 . 1 . . . . A 1939 VAL CA . 34744 1 876 . 1 . 1 72 72 VAL CB C 13 32.176 0.054 . 1 . . . . A 1939 VAL CB . 34744 1 877 . 1 . 1 72 72 VAL CG1 C 13 20.918 0.039 . 1 . . . . A 1939 VAL CG1 . 34744 1 878 . 1 . 1 72 72 VAL CG2 C 13 23.606 0.021 . 1 . . . . A 1939 VAL CG2 . 34744 1 879 . 1 . 1 72 72 VAL N N 15 119.293 0.000 . 1 . . . . A 1939 VAL N . 34744 1 880 . 1 . 1 73 73 LEU H H 1 8.441 0.000 . 1 . . . . A 1940 LEU H . 34744 1 881 . 1 . 1 73 73 LEU HA H 1 3.914 0.002 . 1 . . . . A 1940 LEU HA . 34744 1 882 . 1 . 1 73 73 LEU HB2 H 1 1.836 0.003 . 2 . . . . A 1940 LEU HB2 . 34744 1 883 . 1 . 1 73 73 LEU HB3 H 1 1.177 0.002 . 2 . . . . A 1940 LEU HB3 . 34744 1 884 . 1 . 1 73 73 LEU HG H 1 1.689 0.006 . 1 . . . . A 1940 LEU HG . 34744 1 885 . 1 . 1 73 73 LEU HD11 H 1 0.697 0.001 . 2 . . . . A 1940 LEU HD11 . 34744 1 886 . 1 . 1 73 73 LEU HD12 H 1 0.697 0.001 . 2 . . . . A 1940 LEU HD12 . 34744 1 887 . 1 . 1 73 73 LEU HD13 H 1 0.697 0.001 . 2 . . . . A 1940 LEU HD13 . 34744 1 888 . 1 . 1 73 73 LEU HD21 H 1 0.644 0.001 . 2 . . . . A 1940 LEU HD21 . 34744 1 889 . 1 . 1 73 73 LEU HD22 H 1 0.644 0.001 . 2 . . . . A 1940 LEU HD22 . 34744 1 890 . 1 . 1 73 73 LEU HD23 H 1 0.644 0.001 . 2 . . . . A 1940 LEU HD23 . 34744 1 891 . 1 . 1 73 73 LEU C C 13 178.672 0.000 . 1 . . . . A 1940 LEU C . 34744 1 892 . 1 . 1 73 73 LEU CA C 13 57.783 0.047 . 1 . . . . A 1940 LEU CA . 34744 1 893 . 1 . 1 73 73 LEU CB C 13 42.380 0.053 . 1 . . . . A 1940 LEU CB . 34744 1 894 . 1 . 1 73 73 LEU CG C 13 26.248 0.112 . 1 . . . . A 1940 LEU CG . 34744 1 895 . 1 . 1 73 73 LEU CD1 C 13 24.753 0.025 . 1 . . . . A 1940 LEU CD1 . 34744 1 896 . 1 . 1 73 73 LEU CD2 C 13 23.558 0.045 . 1 . . . . A 1940 LEU CD2 . 34744 1 897 . 1 . 1 73 73 LEU N N 15 121.851 0.000 . 1 . . . . A 1940 LEU N . 34744 1 898 . 1 . 1 74 74 ALA H H 1 8.779 0.000 . 1 . . . . A 1941 ALA H . 34744 1 899 . 1 . 1 74 74 ALA HA H 1 3.543 0.003 . 1 . . . . A 1941 ALA HA . 34744 1 900 . 1 . 1 74 74 ALA HB1 H 1 1.270 0.001 . 1 . . . . A 1941 ALA HB1 . 34744 1 901 . 1 . 1 74 74 ALA HB2 H 1 1.270 0.001 . 1 . . . . A 1941 ALA HB2 . 34744 1 902 . 1 . 1 74 74 ALA HB3 H 1 1.270 0.001 . 1 . . . . A 1941 ALA HB3 . 34744 1 903 . 1 . 1 74 74 ALA C C 13 179.776 0.000 . 1 . . . . A 1941 ALA C . 34744 1 904 . 1 . 1 74 74 ALA CA C 13 55.097 0.026 . 1 . . . . A 1941 ALA CA . 34744 1 905 . 1 . 1 74 74 ALA CB C 13 18.720 0.024 . 1 . . . . A 1941 ALA CB . 34744 1 906 . 1 . 1 74 74 ALA N N 15 120.159 0.000 . 1 . . . . A 1941 ALA N . 34744 1 907 . 1 . 1 75 75 ALA H H 1 7.528 0.000 . 1 . . . . A 1942 ALA H . 34744 1 908 . 1 . 1 75 75 ALA HA H 1 4.025 0.001 . 1 . . . . A 1942 ALA HA . 34744 1 909 . 1 . 1 75 75 ALA HB1 H 1 1.399 0.001 . 1 . . . . A 1942 ALA HB1 . 34744 1 910 . 1 . 1 75 75 ALA HB2 H 1 1.399 0.001 . 1 . . . . A 1942 ALA HB2 . 34744 1 911 . 1 . 1 75 75 ALA HB3 H 1 1.399 0.001 . 1 . . . . A 1942 ALA HB3 . 34744 1 912 . 1 . 1 75 75 ALA C C 13 180.621 0.000 . 1 . . . . A 1942 ALA C . 34744 1 913 . 1 . 1 75 75 ALA CA C 13 54.856 0.049 . 1 . . . . A 1942 ALA CA . 34744 1 914 . 1 . 1 75 75 ALA CB C 13 17.516 0.026 . 1 . . . . A 1942 ALA CB . 34744 1 915 . 1 . 1 75 75 ALA N N 15 121.117 0.000 . 1 . . . . A 1942 ALA N . 34744 1 916 . 1 . 1 76 76 HIS H H 1 7.825 0.000 . 1 . . . . A 1943 HIS H . 34744 1 917 . 1 . 1 76 76 HIS HA H 1 4.250 0.003 . 1 . . . . A 1943 HIS HA . 34744 1 918 . 1 . 1 76 76 HIS HB2 H 1 3.186 0.001 . 2 . . . . A 1943 HIS HB2 . 34744 1 919 . 1 . 1 76 76 HIS HB3 H 1 2.988 0.002 . 2 . . . . A 1943 HIS HB3 . 34744 1 920 . 1 . 1 76 76 HIS HD2 H 1 6.773 0.000 . 1 . . . . A 1943 HIS HD2 . 34744 1 921 . 1 . 1 76 76 HIS HE1 H 1 7.664 0.001 . 1 . . . . A 1943 HIS HE1 . 34744 1 922 . 1 . 1 76 76 HIS C C 13 178.021 0.000 . 1 . . . . A 1943 HIS C . 34744 1 923 . 1 . 1 76 76 HIS CA C 13 59.584 0.038 . 1 . . . . A 1943 HIS CA . 34744 1 924 . 1 . 1 76 76 HIS CB C 13 30.491 0.042 . 1 . . . . A 1943 HIS CB . 34744 1 925 . 1 . 1 76 76 HIS CD2 C 13 119.556 0.000 . 1 . . . . A 1943 HIS CD2 . 34744 1 926 . 1 . 1 76 76 HIS CE1 C 13 139.005 0.000 . 1 . . . . A 1943 HIS CE1 . 34744 1 927 . 1 . 1 76 76 HIS N N 15 117.988 0.000 . 1 . . . . A 1943 HIS N . 34744 1 928 . 1 . 1 76 76 HIS ND1 N 15 224.413 0.000 . 1 . . . . A 1943 HIS ND1 . 34744 1 929 . 1 . 1 76 76 HIS NE2 N 15 184.204 0.008 . 1 . . . . A 1943 HIS NE2 . 34744 1 930 . 1 . 1 77 77 LEU H H 1 7.892 0.000 . 1 . . . . A 1944 LEU H . 34744 1 931 . 1 . 1 77 77 LEU HA H 1 4.057 0.003 . 1 . . . . A 1944 LEU HA . 34744 1 932 . 1 . 1 77 77 LEU HB2 H 1 1.540 0.001 . 2 . . . . A 1944 LEU HB2 . 34744 1 933 . 1 . 1 77 77 LEU HB3 H 1 1.168 0.002 . 2 . . . . A 1944 LEU HB3 . 34744 1 934 . 1 . 1 77 77 LEU HG H 1 1.607 0.003 . 1 . . . . A 1944 LEU HG . 34744 1 935 . 1 . 1 77 77 LEU HD11 H 1 0.100 0.000 . 2 . . . . A 1944 LEU HD11 . 34744 1 936 . 1 . 1 77 77 LEU HD12 H 1 0.100 0.000 . 2 . . . . A 1944 LEU HD12 . 34744 1 937 . 1 . 1 77 77 LEU HD13 H 1 0.100 0.000 . 2 . . . . A 1944 LEU HD13 . 34744 1 938 . 1 . 1 77 77 LEU HD21 H 1 0.518 0.002 . 2 . . . . A 1944 LEU HD21 . 34744 1 939 . 1 . 1 77 77 LEU HD22 H 1 0.518 0.002 . 2 . . . . A 1944 LEU HD22 . 34744 1 940 . 1 . 1 77 77 LEU HD23 H 1 0.518 0.002 . 2 . . . . A 1944 LEU HD23 . 34744 1 941 . 1 . 1 77 77 LEU C C 13 177.208 0.000 . 1 . . . . A 1944 LEU C . 34744 1 942 . 1 . 1 77 77 LEU CA C 13 55.939 0.038 . 1 . . . . A 1944 LEU CA . 34744 1 943 . 1 . 1 77 77 LEU CB C 13 42.065 0.065 . 1 . . . . A 1944 LEU CB . 34744 1 944 . 1 . 1 77 77 LEU CG C 13 26.146 0.085 . 1 . . . . A 1944 LEU CG . 34744 1 945 . 1 . 1 77 77 LEU CD1 C 13 25.378 0.113 . 1 . . . . A 1944 LEU CD1 . 34744 1 946 . 1 . 1 77 77 LEU CD2 C 13 22.937 0.040 . 1 . . . . A 1944 LEU CD2 . 34744 1 947 . 1 . 1 77 77 LEU N N 15 117.346 0.009 . 1 . . . . A 1944 LEU N . 34744 1 948 . 1 . 1 78 78 SER H H 1 7.652 0.000 . 1 . . . . A 1945 SER H . 34744 1 949 . 1 . 1 78 78 SER HA H 1 4.394 0.002 . 1 . . . . A 1945 SER HA . 34744 1 950 . 1 . 1 78 78 SER HB2 H 1 3.920 0.001 . 2 . . . . A 1945 SER HB2 . 34744 1 951 . 1 . 1 78 78 SER HB3 H 1 3.803 0.000 . 2 . . . . A 1945 SER HB3 . 34744 1 952 . 1 . 1 78 78 SER C C 13 174.227 0.000 . 1 . . . . A 1945 SER C . 34744 1 953 . 1 . 1 78 78 SER CA C 13 58.929 0.176 . 1 . . . . A 1945 SER CA . 34744 1 954 . 1 . 1 78 78 SER CB C 13 63.970 0.080 . 1 . . . . A 1945 SER CB . 34744 1 955 . 1 . 1 78 78 SER N N 15 113.198 0.000 . 1 . . . . A 1945 SER N . 34744 1 956 . 1 . 1 79 79 ALA H H 1 7.642 0.000 . 1 . . . . A 1946 ALA H . 34744 1 957 . 1 . 1 79 79 ALA HA H 1 4.246 0.001 . 1 . . . . A 1946 ALA HA . 34744 1 958 . 1 . 1 79 79 ALA HB1 H 1 1.380 0.001 . 1 . . . . A 1946 ALA HB1 . 34744 1 959 . 1 . 1 79 79 ALA HB2 H 1 1.380 0.001 . 1 . . . . A 1946 ALA HB2 . 34744 1 960 . 1 . 1 79 79 ALA HB3 H 1 1.380 0.001 . 1 . . . . A 1946 ALA HB3 . 34744 1 961 . 1 . 1 79 79 ALA C C 13 177.461 0.000 . 1 . . . . A 1946 ALA C . 34744 1 962 . 1 . 1 79 79 ALA CA C 13 52.867 0.054 . 1 . . . . A 1946 ALA CA . 34744 1 963 . 1 . 1 79 79 ALA CB C 13 19.187 0.022 . 1 . . . . A 1946 ALA CB . 34744 1 964 . 1 . 1 79 79 ALA N N 15 125.033 0.000 . 1 . . . . A 1946 ALA N . 34744 1 965 . 1 . 1 80 80 ASP H H 1 8.337 0.000 . 1 . . . . A 1947 ASP H . 34744 1 966 . 1 . 1 80 80 ASP HA H 1 4.504 0.006 . 1 . . . . A 1947 ASP HA . 34744 1 967 . 1 . 1 80 80 ASP HB2 H 1 2.650 0.002 . 2 . . . . A 1947 ASP HB2 . 34744 1 968 . 1 . 1 80 80 ASP HB3 H 1 2.574 0.002 . 2 . . . . A 1947 ASP HB3 . 34744 1 969 . 1 . 1 80 80 ASP C C 13 176.064 0.000 . 1 . . . . A 1947 ASP C . 34744 1 970 . 1 . 1 80 80 ASP CA C 13 54.432 0.063 . 1 . . . . A 1947 ASP CA . 34744 1 971 . 1 . 1 80 80 ASP CB C 13 40.900 0.039 . 1 . . . . A 1947 ASP CB . 34744 1 972 . 1 . 1 80 80 ASP N N 15 119.195 0.000 . 1 . . . . A 1947 ASP N . 34744 1 973 . 1 . 1 81 81 ARG H H 1 8.060 0.000 . 1 . . . . A 1948 ARG H . 34744 1 974 . 1 . 1 81 81 ARG HA H 1 4.282 0.002 . 1 . . . . A 1948 ARG HA . 34744 1 975 . 1 . 1 81 81 ARG HB2 H 1 1.808 0.002 . 2 . . . . A 1948 ARG HB2 . 34744 1 976 . 1 . 1 81 81 ARG HB3 H 1 1.677 0.002 . 2 . . . . A 1948 ARG HB3 . 34744 1 977 . 1 . 1 81 81 ARG HG2 H 1 1.537 0.002 . 2 . . . . A 1948 ARG HG2 . 34744 1 978 . 1 . 1 81 81 ARG HG3 H 1 1.537 0.002 . 2 . . . . A 1948 ARG HG3 . 34744 1 979 . 1 . 1 81 81 ARG HD2 H 1 3.101 0.001 . 2 . . . . A 1948 ARG HD2 . 34744 1 980 . 1 . 1 81 81 ARG HD3 H 1 3.101 0.001 . 2 . . . . A 1948 ARG HD3 . 34744 1 981 . 1 . 1 81 81 ARG C C 13 175.705 0.000 . 1 . . . . A 1948 ARG C . 34744 1 982 . 1 . 1 81 81 ARG CA C 13 55.613 0.039 . 1 . . . . A 1948 ARG CA . 34744 1 983 . 1 . 1 81 81 ARG CB C 13 30.923 0.031 . 1 . . . . A 1948 ARG CB . 34744 1 984 . 1 . 1 81 81 ARG CG C 13 26.883 0.028 . 1 . . . . A 1948 ARG CG . 34744 1 985 . 1 . 1 81 81 ARG CD C 13 43.291 0.023 . 1 . . . . A 1948 ARG CD . 34744 1 986 . 1 . 1 81 81 ARG N N 15 120.635 0.000 . 1 . . . . A 1948 ARG N . 34744 1 987 . 1 . 1 82 82 ALA H H 1 8.292 0.000 . 1 . . . . A 1949 ALA H . 34744 1 988 . 1 . 1 82 82 ALA HA H 1 4.229 0.002 . 1 . . . . A 1949 ALA HA . 34744 1 989 . 1 . 1 82 82 ALA HB1 H 1 1.297 0.000 . 1 . . . . A 1949 ALA HB1 . 34744 1 990 . 1 . 1 82 82 ALA HB2 H 1 1.297 0.000 . 1 . . . . A 1949 ALA HB2 . 34744 1 991 . 1 . 1 82 82 ALA HB3 H 1 1.297 0.000 . 1 . . . . A 1949 ALA HB3 . 34744 1 992 . 1 . 1 82 82 ALA C C 13 176.693 0.000 . 1 . . . . A 1949 ALA C . 34744 1 993 . 1 . 1 82 82 ALA CA C 13 52.537 0.045 . 1 . . . . A 1949 ALA CA . 34744 1 994 . 1 . 1 82 82 ALA CB C 13 19.177 0.036 . 1 . . . . A 1949 ALA CB . 34744 1 995 . 1 . 1 82 82 ALA N N 15 125.433 0.000 . 1 . . . . A 1949 ALA N . 34744 1 996 . 1 . 1 83 83 HIS H H 1 7.877 0.000 . 1 . . . . A 1950 HIS H . 34744 1 997 . 1 . 1 83 83 HIS HA H 1 4.377 0.002 . 1 . . . . A 1950 HIS HA . 34744 1 998 . 1 . 1 83 83 HIS HB2 H 1 3.152 0.001 . 2 . . . . A 1950 HIS HB2 . 34744 1 999 . 1 . 1 83 83 HIS HB3 H 1 3.008 0.002 . 2 . . . . A 1950 HIS HB3 . 34744 1 1000 . 1 . 1 83 83 HIS HD2 H 1 7.086 0.000 . 1 . . . . A 1950 HIS HD2 . 34744 1 1001 . 1 . 1 83 83 HIS HE1 H 1 8.212 0.000 . 1 . . . . A 1950 HIS HE1 . 34744 1 1002 . 1 . 1 83 83 HIS CA C 13 57.064 0.058 . 1 . . . . A 1950 HIS CA . 34744 1 1003 . 1 . 1 83 83 HIS CB C 13 30.386 0.117 . 1 . . . . A 1950 HIS CB . 34744 1 1004 . 1 . 1 83 83 HIS CD2 C 13 120.054 0.000 . 1 . . . . A 1950 HIS CD2 . 34744 1 1005 . 1 . 1 83 83 HIS CE1 C 13 136.721 0.000 . 1 . . . . A 1950 HIS CE1 . 34744 1 1006 . 1 . 1 83 83 HIS N N 15 123.078 0.000 . 1 . . . . A 1950 HIS N . 34744 1 1007 . 1 . 1 83 83 HIS ND1 N 15 190.305 0.007 . 1 . . . . A 1950 HIS ND1 . 34744 1 1008 . 1 . 1 83 83 HIS NE2 N 15 180.024 0.012 . 1 . . . . A 1950 HIS NE2 . 34744 1 1009 . 2 . 2 1 1 PNS C28 C 13 74.004 0.004 . 1 . . . . A 2001 PNS C28 . 34744 1 1010 . 2 . 2 1 1 PNS H281 H 1 3.295 0.002 . 2 . . . . A 2001 PNS H281 . 34744 1 1011 . 2 . 2 1 1 PNS H282 H 1 3.742 0.002 . 2 . . . . A 2001 PNS H282 . 34744 1 1012 . 2 . 2 1 1 PNS H301 H 1 0.906 0.001 . 2 . . . . A 2001 PNS H301 . 34744 1 1013 . 2 . 2 1 1 PNS H302 H 1 0.906 0.001 . 2 . . . . A 2001 PNS H302 . 34744 1 1014 . 2 . 2 1 1 PNS H303 H 1 0.906 0.001 . 2 . . . . A 2001 PNS H303 . 34744 1 1015 . 2 . 2 1 1 PNS C31 C 13 23.381 0.000 . 1 . . . . A 2001 PNS C31 . 34744 1 1016 . 2 . 2 1 1 PNS H311 H 1 0.802 0.001 . 2 . . . . A 2001 PNS H311 . 34744 1 1017 . 2 . 2 1 1 PNS H312 H 1 0.802 0.001 . 2 . . . . A 2001 PNS H312 . 34744 1 1018 . 2 . 2 1 1 PNS H313 H 1 0.802 0.001 . 2 . . . . A 2001 PNS H313 . 34744 1 1019 . 2 . 2 1 1 PNS C32 C 13 76.701 0.000 . 1 . . . . A 2001 PNS C32 . 34744 1 1020 . 2 . 2 1 1 PNS H32 H 1 3.968 0.002 . 1 . . . . A 2001 PNS H32 . 34744 1 1021 . 2 . 2 1 1 PNS N36 N 15 120.185 0.019 . 1 . . . . A 2001 PNS N36 . 34744 1 1022 . 2 . 2 1 1 PNS H36 H 1 8.026 0.001 . 1 . . . . A 2001 PNS H36 . 34744 1 1023 . 2 . 2 1 1 PNS C37 C 13 38.291 0.000 . 1 . . . . A 2001 PNS C37 . 34744 1 1024 . 2 . 2 1 1 PNS H371 H 1 3.448 0.003 . 2 . . . . A 2001 PNS H371 . 34744 1 1025 . 2 . 2 1 1 PNS H372 H 1 3.448 0.003 . 2 . . . . A 2001 PNS H372 . 34744 1 1026 . 2 . 2 1 1 PNS C38 C 13 38.065 0.000 . 1 . . . . A 2001 PNS C38 . 34744 1 1027 . 2 . 2 1 1 PNS H381 H 1 2.457 0.018 . 2 . . . . A 2001 PNS H381 . 34744 1 1028 . 2 . 2 1 1 PNS H382 H 1 2.457 0.018 . 2 . . . . A 2001 PNS H382 . 34744 1 1029 . 2 . 2 1 1 PNS N41 N 15 124.662 0.022 . 1 . . . . A 2001 PNS N41 . 34744 1 1030 . 2 . 2 1 1 PNS H41 H 1 8.202 0.001 . 1 . . . . A 2001 PNS H41 . 34744 1 1031 . 2 . 2 1 1 PNS C42 C 13 45.089 0.026 . 1 . . . . A 2001 PNS C42 . 34744 1 1032 . 2 . 2 1 1 PNS H421 H 1 3.300 0.003 . 2 . . . . A 2001 PNS H421 . 34744 1 1033 . 2 . 2 1 1 PNS H422 H 1 3.300 0.003 . 2 . . . . A 2001 PNS H422 . 34744 1 1034 . 2 . 2 1 1 PNS C43 C 13 25.986 0.030 . 1 . . . . A 2001 PNS C43 . 34744 1 1035 . 2 . 2 1 1 PNS H431 H 1 2.586 0.002 . 2 . . . . A 2001 PNS H431 . 34744 1 1036 . 2 . 2 1 1 PNS H432 H 1 2.586 0.002 . 2 . . . . A 2001 PNS H432 . 34744 1 stop_ save_