data_34899 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34899 _Entry.Title ; NMR solution structure of the CysD2 domain of MUC2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-02-13 _Entry.Accession_date 2024-02-13 _Entry.Last_release_date 2024-02-15 _Entry.Original_release_date 2024-02-15 _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 C. Recktenwald C. . . . 34899 2 B. Karlsson B. G. . . 34899 3 M. Garcia-Bonnete M. J. . . 34899 4 G. Katona G. . . . 34899 5 M. Jensen M. . . . 34899 6 R. Lymer R. . . . 34899 7 M. Baeckstroem M. . . . 34899 8 M. Johansson M. E.V. . . 34899 9 G. Hansson G. C. . . 34899 10 S. Trillo-Muyo S. . . . 34899 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID colon . 34899 'isopeptide bond' . 34899 'structural protein' . 34899 transglutaminase . 34899 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34899 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 237 34899 '15N chemical shifts' 74 34899 '1H chemical shifts' 501 34899 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 . . 2024-04-10 . original BMRB . 34899 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8S03 'BMRB Entry Tracking System' 34899 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34899 _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 ; The second CysD domain of MUC2 and role in mucin organization by transglutaminase-based cross-linking ; _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 C. Recktenwald C. . . . 34899 1 2 B. Karlsson B. G. . . 34899 1 3 M. Garcia-Bonnete M. J. . . 34899 1 4 G. Katona G. . . . 34899 1 5 M. Jensen M. . . . 34899 1 6 R. Lymer R. . . . 34899 1 7 M. Baeckstroem M. . . . 34899 1 8 M. Johansson M. E.V. . . 34899 1 9 G. Hansson G. C. . . 34899 1 10 S. Trillo-Muyo S. . . . 34899 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34899 _Assembly.ID 1 _Assembly.Name Mucin-2 _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 . . . . . . 34899 1 2 unit_2 2 $entity_CA B A no . . . . . . 34899 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 32 32 SG . 1 . 1 CYS 128 128 SG . . . . . . . . . . . . 34899 1 2 disulfide single . 1 . 1 CYS 36 36 SG . 1 . 1 CYS 126 126 SG . . . . . . . . . . . . 34899 1 3 disulfide single . 1 . 1 CYS 63 63 SG . 1 . 1 CYS 125 125 SG . . . . . . . . . . . . 34899 1 4 disulfide single . 1 . 1 CYS 73 73 SG . 1 . 1 CYS 92 92 SG . . . . . . . . . . . . 34899 1 5 disulfide single . 1 . 1 CYS 100 100 SG . 1 . 1 CYS 116 116 SG . . . . . . . . . . . . 34899 1 6 coordination single . 1 . 1 GLY 45 45 O . 2 . 2 CA 1 1 CA . . . . . . . . . . . . 34899 1 7 coordination single . 1 . 1 ASN 118 118 OD1 . 2 . 2 CA 1 1 CA . . . . . . . . . . . . 34899 1 8 coordination single . 1 . 1 TYR 119 119 O . 2 . 2 CA 1 1 CA . . . . . . . . . . . . 34899 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34899 _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 ; DAAQPARRAVRSSSELTSEQ KLISEEDLSSPCVPLCNWTG WLDSGKPNFHKPGGDTELIG DVCGPGWAANISCRATMYPD VPIGQLGQTVVCDVSVGLIC KNEDQKPGGVIPMAFCLNYE INVQCCECVTQPTTMTTTTT EN ; _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 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15221.124 _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 'Intestinal mucin-2' common 34899 1 MUC-2 common 34899 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1751 ASP . 34899 1 2 1752 ALA . 34899 1 3 1753 ALA . 34899 1 4 1754 GLN . 34899 1 5 1755 PRO . 34899 1 6 1756 ALA . 34899 1 7 1757 ARG . 34899 1 8 1758 ARG . 34899 1 9 1759 ALA . 34899 1 10 1760 VAL . 34899 1 11 1761 ARG . 34899 1 12 1762 SER . 34899 1 13 1763 SER . 34899 1 14 1764 SER . 34899 1 15 1765 GLU . 34899 1 16 1766 LEU . 34899 1 17 1767 THR . 34899 1 18 1768 SER . 34899 1 19 1769 GLU . 34899 1 20 1770 GLN . 34899 1 21 1771 LYS . 34899 1 22 1772 LEU . 34899 1 23 1773 ILE . 34899 1 24 1774 SER . 34899 1 25 1775 GLU . 34899 1 26 1776 GLU . 34899 1 27 1777 ASP . 34899 1 28 1778 LEU . 34899 1 29 1779 SER . 34899 1 30 1780 SER . 34899 1 31 1781 PRO . 34899 1 32 1782 CYS . 34899 1 33 1783 VAL . 34899 1 34 1784 PRO . 34899 1 35 1785 LEU . 34899 1 36 1786 CYS . 34899 1 37 1787 ASN . 34899 1 38 1788 TRP . 34899 1 39 1789 THR . 34899 1 40 1790 GLY . 34899 1 41 1791 TRP . 34899 1 42 1792 LEU . 34899 1 43 1793 ASP . 34899 1 44 1794 SER . 34899 1 45 1795 GLY . 34899 1 46 1796 LYS . 34899 1 47 1797 PRO . 34899 1 48 1798 ASN . 34899 1 49 1799 PHE . 34899 1 50 1800 HIS . 34899 1 51 1801 LYS . 34899 1 52 1802 PRO . 34899 1 53 1803 GLY . 34899 1 54 1804 GLY . 34899 1 55 1805 ASP . 34899 1 56 1806 THR . 34899 1 57 1807 GLU . 34899 1 58 1808 LEU . 34899 1 59 1809 ILE . 34899 1 60 1810 GLY . 34899 1 61 1811 ASP . 34899 1 62 1812 VAL . 34899 1 63 1813 CYS . 34899 1 64 1814 GLY . 34899 1 65 1815 PRO . 34899 1 66 1816 GLY . 34899 1 67 1817 TRP . 34899 1 68 1818 ALA . 34899 1 69 1819 ALA . 34899 1 70 1820 ASN . 34899 1 71 1821 ILE . 34899 1 72 1822 SER . 34899 1 73 1823 CYS . 34899 1 74 1824 ARG . 34899 1 75 1825 ALA . 34899 1 76 1826 THR . 34899 1 77 1827 MET . 34899 1 78 1828 TYR . 34899 1 79 1829 PRO . 34899 1 80 1830 ASP . 34899 1 81 1831 VAL . 34899 1 82 1832 PRO . 34899 1 83 1833 ILE . 34899 1 84 1834 GLY . 34899 1 85 1835 GLN . 34899 1 86 1836 LEU . 34899 1 87 1837 GLY . 34899 1 88 1838 GLN . 34899 1 89 1839 THR . 34899 1 90 1840 VAL . 34899 1 91 1841 VAL . 34899 1 92 1842 CYS . 34899 1 93 1843 ASP . 34899 1 94 1844 VAL . 34899 1 95 1845 SER . 34899 1 96 1846 VAL . 34899 1 97 1847 GLY . 34899 1 98 1848 LEU . 34899 1 99 1849 ILE . 34899 1 100 1850 CYS . 34899 1 101 1851 LYS . 34899 1 102 1852 ASN . 34899 1 103 1853 GLU . 34899 1 104 1854 ASP . 34899 1 105 1855 GLN . 34899 1 106 1856 LYS . 34899 1 107 1857 PRO . 34899 1 108 1858 GLY . 34899 1 109 1859 GLY . 34899 1 110 1860 VAL . 34899 1 111 1861 ILE . 34899 1 112 1862 PRO . 34899 1 113 1863 MET . 34899 1 114 1864 ALA . 34899 1 115 1865 PHE . 34899 1 116 1866 CYS . 34899 1 117 1867 LEU . 34899 1 118 1868 ASN . 34899 1 119 1869 TYR . 34899 1 120 1870 GLU . 34899 1 121 1871 ILE . 34899 1 122 1872 ASN . 34899 1 123 1873 VAL . 34899 1 124 1874 GLN . 34899 1 125 1875 CYS . 34899 1 126 1876 CYS . 34899 1 127 1877 GLU . 34899 1 128 1878 CYS . 34899 1 129 1879 VAL . 34899 1 130 1880 THR . 34899 1 131 1881 GLN . 34899 1 132 1882 PRO . 34899 1 133 1883 THR . 34899 1 134 1884 THR . 34899 1 135 1885 MET . 34899 1 136 1886 THR . 34899 1 137 1887 THR . 34899 1 138 1888 THR . 34899 1 139 1889 THR . 34899 1 140 1890 THR . 34899 1 141 1891 GLU . 34899 1 142 1892 ASN . 34899 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 . ASP 1 1 34899 1 . ALA 2 2 34899 1 . ALA 3 3 34899 1 . GLN 4 4 34899 1 . PRO 5 5 34899 1 . ALA 6 6 34899 1 . ARG 7 7 34899 1 . ARG 8 8 34899 1 . ALA 9 9 34899 1 . VAL 10 10 34899 1 . ARG 11 11 34899 1 . SER 12 12 34899 1 . SER 13 13 34899 1 . SER 14 14 34899 1 . GLU 15 15 34899 1 . LEU 16 16 34899 1 . THR 17 17 34899 1 . SER 18 18 34899 1 . GLU 19 19 34899 1 . GLN 20 20 34899 1 . LYS 21 21 34899 1 . LEU 22 22 34899 1 . ILE 23 23 34899 1 . SER 24 24 34899 1 . GLU 25 25 34899 1 . GLU 26 26 34899 1 . ASP 27 27 34899 1 . LEU 28 28 34899 1 . SER 29 29 34899 1 . SER 30 30 34899 1 . PRO 31 31 34899 1 . CYS 32 32 34899 1 . VAL 33 33 34899 1 . PRO 34 34 34899 1 . LEU 35 35 34899 1 . CYS 36 36 34899 1 . ASN 37 37 34899 1 . TRP 38 38 34899 1 . THR 39 39 34899 1 . GLY 40 40 34899 1 . TRP 41 41 34899 1 . LEU 42 42 34899 1 . ASP 43 43 34899 1 . SER 44 44 34899 1 . GLY 45 45 34899 1 . LYS 46 46 34899 1 . PRO 47 47 34899 1 . ASN 48 48 34899 1 . PHE 49 49 34899 1 . HIS 50 50 34899 1 . LYS 51 51 34899 1 . PRO 52 52 34899 1 . GLY 53 53 34899 1 . GLY 54 54 34899 1 . ASP 55 55 34899 1 . THR 56 56 34899 1 . GLU 57 57 34899 1 . LEU 58 58 34899 1 . ILE 59 59 34899 1 . GLY 60 60 34899 1 . ASP 61 61 34899 1 . VAL 62 62 34899 1 . CYS 63 63 34899 1 . GLY 64 64 34899 1 . PRO 65 65 34899 1 . GLY 66 66 34899 1 . TRP 67 67 34899 1 . ALA 68 68 34899 1 . ALA 69 69 34899 1 . ASN 70 70 34899 1 . ILE 71 71 34899 1 . SER 72 72 34899 1 . CYS 73 73 34899 1 . ARG 74 74 34899 1 . ALA 75 75 34899 1 . THR 76 76 34899 1 . MET 77 77 34899 1 . TYR 78 78 34899 1 . PRO 79 79 34899 1 . ASP 80 80 34899 1 . VAL 81 81 34899 1 . PRO 82 82 34899 1 . ILE 83 83 34899 1 . GLY 84 84 34899 1 . GLN 85 85 34899 1 . LEU 86 86 34899 1 . GLY 87 87 34899 1 . GLN 88 88 34899 1 . THR 89 89 34899 1 . VAL 90 90 34899 1 . VAL 91 91 34899 1 . CYS 92 92 34899 1 . ASP 93 93 34899 1 . VAL 94 94 34899 1 . SER 95 95 34899 1 . VAL 96 96 34899 1 . GLY 97 97 34899 1 . LEU 98 98 34899 1 . ILE 99 99 34899 1 . CYS 100 100 34899 1 . LYS 101 101 34899 1 . ASN 102 102 34899 1 . GLU 103 103 34899 1 . ASP 104 104 34899 1 . GLN 105 105 34899 1 . LYS 106 106 34899 1 . PRO 107 107 34899 1 . GLY 108 108 34899 1 . GLY 109 109 34899 1 . VAL 110 110 34899 1 . ILE 111 111 34899 1 . PRO 112 112 34899 1 . MET 113 113 34899 1 . ALA 114 114 34899 1 . PHE 115 115 34899 1 . CYS 116 116 34899 1 . LEU 117 117 34899 1 . ASN 118 118 34899 1 . TYR 119 119 34899 1 . GLU 120 120 34899 1 . ILE 121 121 34899 1 . ASN 122 122 34899 1 . VAL 123 123 34899 1 . GLN 124 124 34899 1 . CYS 125 125 34899 1 . CYS 126 126 34899 1 . GLU 127 127 34899 1 . CYS 128 128 34899 1 . VAL 129 129 34899 1 . THR 130 130 34899 1 . GLN 131 131 34899 1 . PRO 132 132 34899 1 . THR 133 133 34899 1 . THR 134 134 34899 1 . MET 135 135 34899 1 . THR 136 136 34899 1 . THR 137 137 34899 1 . THR 138 138 34899 1 . THR 139 139 34899 1 . THR 140 140 34899 1 . GLU 141 141 34899 1 . ASN 142 142 34899 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 34899 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name entity_CA _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 CA _Entity.Nonpolymer_comp_label $chem_comp_CA _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 40.078 _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 'CALCIUM ION' BMRB 34899 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 34899 2 CA 'Three letter code' 34899 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 CA $chem_comp_CA 34899 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 34899 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'MUC2, SMUC' . 34899 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 34899 _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' 'Cricetulus griseus' . . 10029 Cricetulus griseus 'CHO cells' . . . . . . . . . 34899 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 34899 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _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 CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 34899 CA InChI=1S/Ca/q+2 InChI InChI 1.03 34899 CA [Ca++] SMILES CACTVS 3.341 34899 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 34899 CA [Ca+2] SMILES ACDLabs 10.04 34899 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 34899 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34899 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 34899 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34899 CA 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 CA CA CA CA . CA . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34899 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34899 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM 1H cysD2, 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 cysD2 1H . . 1 $entity_1 . . 0.7 . . mM 0.05 . . . 34899 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34899 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.3 mM [U-100% 13C; U-100% 15N] cysD2, 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 cysD2 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.3 . . mM 0.05 . . . 34899 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34899 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.6 mM 15N Cysteine, 15N Valine cysD2, 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 cysD2 '15N Cysteine, 15N Valine' . . 1 $entity_1 . . 0.6 . . mM 0.05 . . . 34899 3 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 34899 _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' 100 1 mM 34899 1 pH 7 0.05 pH 34899 1 pressure 1 0.01 atm 34899 1 temperature 318 0.2 K 34899 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34899 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34899 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34899 1 'peak picking' . 34899 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34899 _Software.ID 2 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34899 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34899 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34899 _Software.ID 3 _Software.Type . _Software.Name YASARA _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yasaara inc.' . . 34899 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34899 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34899 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Peter Guentert' . . 34899 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34899 4 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 34899 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details '3 mm TCI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34899 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details '3 mm TCI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34899 _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 HD' . 900 . . . 34899 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 800 . . . 34899 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 34899 _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-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34899 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34899 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34899 1 4 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34899 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34899 1 6 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34899 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34899 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34899 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34899 1 10 '2D 1H-13C HSQC15' no . . . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34899 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 34899 _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 4.78 na indirect 0.25144 . . . . . 34899 1 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1 . . . . . 34899 1 N 15 DSS 'methyl protons' . . . . ppm 4.78 na indirect 0.1 . . . . . 34899 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 34899 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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-1H NOESY' . . . 34899 1 2 '2D 1H-15N HSQC' . . . 34899 1 3 '2D 1H-13C HSQC' . . . 34899 1 4 '3D HNCA' . . . 34899 1 5 '3D HN(CO)CA' . . . 34899 1 6 '3D HNCACB' . . . 34899 1 7 '3D HCCH-TOCSY' . . . 34899 1 8 '3D 1H-13C NOESY aliphatic' . . . 34899 1 9 '3D 1H-15N NOESY' . . . 34899 1 10 '2D 1H-13C HSQC15' . . . 34899 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 32 32 CYS HA H 1 4.764429478 0.01201622381 . 1 . . . . A 1782 CYS HA . 34899 1 2 . 1 . 1 32 32 CYS HB2 H 1 3.312031685 0.006776474439 . 2 . . . . A 1782 CYS HB2 . 34899 1 3 . 1 . 1 32 32 CYS HB3 H 1 3.363085758 0 . 2 . . . . A 1782 CYS HB3 . 34899 1 4 . 1 . 1 32 32 CYS CA C 13 55.76737522 0.02351486391 . 1 . . . . A 1782 CYS CA . 34899 1 5 . 1 . 1 32 32 CYS CB C 13 45.63254858 0.01976896343 . 1 . . . . A 1782 CYS CB . 34899 1 6 . 1 . 1 33 33 VAL H H 1 8.870831981 0.002584191167 . 1 . . . . A 1783 VAL H . 34899 1 7 . 1 . 1 33 33 VAL HA H 1 4.56985773 0.003834281929 . 1 . . . . A 1783 VAL HA . 34899 1 8 . 1 . 1 33 33 VAL HB H 1 2.187688629 0.0035350752 . 1 . . . . A 1783 VAL HB . 34899 1 9 . 1 . 1 33 33 VAL HG11 H 1 1.019920172 0.004519864568 . 2 . . . . A 1783 VAL HG11 . 34899 1 10 . 1 . 1 33 33 VAL HG12 H 1 1.019920172 0.004519864568 . 2 . . . . A 1783 VAL HG12 . 34899 1 11 . 1 . 1 33 33 VAL HG13 H 1 1.019920172 0.004519864568 . 2 . . . . A 1783 VAL HG13 . 34899 1 12 . 1 . 1 33 33 VAL HG21 H 1 1.064303381 0.01453869354 . 2 . . . . A 1783 VAL HG21 . 34899 1 13 . 1 . 1 33 33 VAL HG22 H 1 1.064303381 0.01453869354 . 2 . . . . A 1783 VAL HG22 . 34899 1 14 . 1 . 1 33 33 VAL HG23 H 1 1.064303381 0.01453869354 . 2 . . . . A 1783 VAL HG23 . 34899 1 15 . 1 . 1 33 33 VAL CA C 13 60.03431526 0.05749250766 . 1 . . . . A 1783 VAL CA . 34899 1 16 . 1 . 1 33 33 VAL CB C 13 32.67672946 0.05228843319 . 1 . . . . A 1783 VAL CB . 34899 1 17 . 1 . 1 33 33 VAL CG1 C 13 20.92529791 0.01117461489 . 2 . . . . A 1783 VAL CG1 . 34899 1 18 . 1 . 1 33 33 VAL CG2 C 13 20.93592034 0.05447329295 . 2 . . . . A 1783 VAL CG2 . 34899 1 19 . 1 . 1 33 33 VAL N N 15 129.1741665 0.03029677394 . 1 . . . . A 1783 VAL N . 34899 1 20 . 1 . 1 34 34 PRO HB2 H 1 1.963651452 0.003939066028 . 2 . . . . A 1784 PRO HB2 . 34899 1 21 . 1 . 1 34 34 PRO HB3 H 1 2.14434902 0.005049292802 . 2 . . . . A 1784 PRO HB3 . 34899 1 22 . 1 . 1 34 34 PRO HG2 H 1 2.150439472 0.01078948587 . 2 . . . . A 1784 PRO HG2 . 34899 1 23 . 1 . 1 34 34 PRO HG3 H 1 2.292659326 0.002290899551 . 2 . . . . A 1784 PRO HG3 . 34899 1 24 . 1 . 1 34 34 PRO HD2 H 1 3.86411617 0.001633760696 . 2 . . . . A 1784 PRO HD2 . 34899 1 25 . 1 . 1 34 34 PRO HD3 H 1 4.202490525 0.004766030498 . 2 . . . . A 1784 PRO HD3 . 34899 1 26 . 1 . 1 34 34 PRO CA C 13 62.8841403 0.03057796048 . 1 . . . . A 1784 PRO CA . 34899 1 27 . 1 . 1 34 34 PRO CB C 13 32.93940686 0.08852209853 . 1 . . . . A 1784 PRO CB . 34899 1 28 . 1 . 1 34 34 PRO CG C 13 27.47491623 0.04176323733 . 1 . . . . A 1784 PRO CG . 34899 1 29 . 1 . 1 34 34 PRO CD C 13 51.33784833 0.01760776216 . 1 . . . . A 1784 PRO CD . 34899 1 30 . 1 . 1 35 35 LEU H H 1 8.935451832 0.00344209064 . 1 . . . . A 1785 LEU H . 34899 1 31 . 1 . 1 35 35 LEU HA H 1 4.653849021 0.001375228993 . 1 . . . . A 1785 LEU HA . 34899 1 32 . 1 . 1 35 35 LEU HB2 H 1 1.552456384 0.003574862616 . 2 . . . . A 1785 LEU HB2 . 34899 1 33 . 1 . 1 35 35 LEU HB3 H 1 1.723397757 0.0025631736 . 2 . . . . A 1785 LEU HB3 . 34899 1 34 . 1 . 1 35 35 LEU HG H 1 1.5484407 0.001925553027 . 1 . . . . A 1785 LEU HG . 34899 1 35 . 1 . 1 35 35 LEU HD11 H 1 0.93412589 0.003269225459 . 2 . . . . A 1785 LEU HD11 . 34899 1 36 . 1 . 1 35 35 LEU HD12 H 1 0.93412589 0.003269225459 . 2 . . . . A 1785 LEU HD12 . 34899 1 37 . 1 . 1 35 35 LEU HD13 H 1 0.93412589 0.003269225459 . 2 . . . . A 1785 LEU HD13 . 34899 1 38 . 1 . 1 35 35 LEU HD21 H 1 0.9930064656 0.002611234158 . 2 . . . . A 1785 LEU HD21 . 34899 1 39 . 1 . 1 35 35 LEU HD22 H 1 0.9930064656 0.002611234158 . 2 . . . . A 1785 LEU HD22 . 34899 1 40 . 1 . 1 35 35 LEU HD23 H 1 0.9930064656 0.002611234158 . 2 . . . . A 1785 LEU HD23 . 34899 1 41 . 1 . 1 35 35 LEU CA C 13 54.92405051 0.01975311716 . 1 . . . . A 1785 LEU CA . 34899 1 42 . 1 . 1 35 35 LEU CB C 13 44.12791501 0.04961323233 . 1 . . . . A 1785 LEU CB . 34899 1 43 . 1 . 1 35 35 LEU CG C 13 27.45083641 0.0138891875 . 1 . . . . A 1785 LEU CG . 34899 1 44 . 1 . 1 35 35 LEU CD1 C 13 24.55012033 0.04531983773 . 2 . . . . A 1785 LEU CD1 . 34899 1 45 . 1 . 1 35 35 LEU CD2 C 13 25.13742984 0.03225565572 . 2 . . . . A 1785 LEU CD2 . 34899 1 46 . 1 . 1 35 35 LEU N N 15 126.5854765 0.03260514971 . 1 . . . . A 1785 LEU N . 34899 1 47 . 1 . 1 36 36 CYS H H 1 8.718469343 0.001567197043 . 1 . . . . A 1786 CYS H . 34899 1 48 . 1 . 1 36 36 CYS HA H 1 5.744378756 0.00455517536 . 1 . . . . A 1786 CYS HA . 34899 1 49 . 1 . 1 36 36 CYS HB2 H 1 2.266093198 0.005592699647 . 2 . . . . A 1786 CYS HB2 . 34899 1 50 . 1 . 1 36 36 CYS HB3 H 1 3.018082981 0.00353759819 . 2 . . . . A 1786 CYS HB3 . 34899 1 51 . 1 . 1 36 36 CYS CA C 13 55.18541277 0.03325268841 . 1 . . . . A 1786 CYS CA . 34899 1 52 . 1 . 1 36 36 CYS CB C 13 49.25470594 0.03945333364 . 1 . . . . A 1786 CYS CB . 34899 1 53 . 1 . 1 36 36 CYS N N 15 124.8025067 0.01302100352 . 1 . . . . A 1786 CYS N . 34899 1 54 . 1 . 1 37 37 ASN H H 1 8.98775278 0.003156237897 . 1 . . . . A 1787 ASN H . 34899 1 55 . 1 . 1 37 37 ASN HA H 1 4.989028154 0.003146720593 . 1 . . . . A 1787 ASN HA . 34899 1 56 . 1 . 1 37 37 ASN HB2 H 1 2.653140378 0.005129642318 . 2 . . . . A 1787 ASN HB2 . 34899 1 57 . 1 . 1 37 37 ASN CA C 13 52.95385561 0.07396264243 . 1 . . . . A 1787 ASN CA . 34899 1 58 . 1 . 1 37 37 ASN CB C 13 43.26775716 0.0325965107 . 1 . . . . A 1787 ASN CB . 34899 1 59 . 1 . 1 37 37 ASN N N 15 120.427525 0.0291792386 . 1 . . . . A 1787 ASN N . 34899 1 60 . 1 . 1 38 38 TRP H H 1 8.774792907 0.008606976199 . 1 . . . . A 1788 TRP H . 34899 1 61 . 1 . 1 38 38 TRP HA H 1 5.382644192 0.004562184597 . 1 . . . . A 1788 TRP HA . 34899 1 62 . 1 . 1 38 38 TRP HB2 H 1 2.825015172 0.006813099732 . 2 . . . . A 1788 TRP HB2 . 34899 1 63 . 1 . 1 38 38 TRP HB3 H 1 3.535861728 0.008570224666 . 2 . . . . A 1788 TRP HB3 . 34899 1 64 . 1 . 1 38 38 TRP HD1 H 1 7.344760771 0.003154881009 . 1 . . . . A 1788 TRP HD1 . 34899 1 65 . 1 . 1 38 38 TRP HE1 H 1 10.06699419 0.006881593033 . 1 . . . . A 1788 TRP HE1 . 34899 1 66 . 1 . 1 38 38 TRP HE3 H 1 7.11025401 0.00244390876 . 1 . . . . A 1788 TRP HE3 . 34899 1 67 . 1 . 1 38 38 TRP HZ2 H 1 7.357221353 0.001057453302 . 1 . . . . A 1788 TRP HZ2 . 34899 1 68 . 1 . 1 38 38 TRP HZ3 H 1 6.74442786 0.002968203228 . 1 . . . . A 1788 TRP HZ3 . 34899 1 69 . 1 . 1 38 38 TRP HH2 H 1 6.836788513 0.001743549997 . 1 . . . . A 1788 TRP HH2 . 34899 1 70 . 1 . 1 38 38 TRP CA C 13 57.05314487 0.04260805949 . 1 . . . . A 1788 TRP CA . 34899 1 71 . 1 . 1 38 38 TRP CB C 13 28.80732672 0.05388815129 . 1 . . . . A 1788 TRP CB . 34899 1 72 . 1 . 1 38 38 TRP CD1 C 13 127.9143431 0 . 1 . . . . A 1788 TRP CD1 . 34899 1 73 . 1 . 1 38 38 TRP N N 15 124.5277896 0.03152223954 . 1 . . . . A 1788 TRP N . 34899 1 74 . 1 . 1 38 38 TRP NE1 N 15 130.0856832 0.01293186677 . 1 . . . . A 1788 TRP NE1 . 34899 1 75 . 1 . 1 39 39 THR H H 1 9.704150053 0.004560212608 . 1 . . . . A 1789 THR H . 34899 1 76 . 1 . 1 39 39 THR HA H 1 4.057026798 0.004652292267 . 1 . . . . A 1789 THR HA . 34899 1 77 . 1 . 1 39 39 THR HB H 1 4.350314412 0.003826983279 . 1 . . . . A 1789 THR HB . 34899 1 78 . 1 . 1 39 39 THR HG1 H 1 6.135009812 0.00245761124 . 1 . . . . A 1789 THR HG1 . 34899 1 79 . 1 . 1 39 39 THR HG21 H 1 1.472300121 0.003607095227 . 1 . . . . A 1789 THR HG21 . 34899 1 80 . 1 . 1 39 39 THR HG22 H 1 1.472300121 0.003607095227 . 1 . . . . A 1789 THR HG22 . 34899 1 81 . 1 . 1 39 39 THR HG23 H 1 1.472300121 0.003607095227 . 1 . . . . A 1789 THR HG23 . 34899 1 82 . 1 . 1 39 39 THR CA C 13 64.58014271 0.03935266218 . 1 . . . . A 1789 THR CA . 34899 1 83 . 1 . 1 39 39 THR CB C 13 71.59493289 0.06819943895 . 1 . . . . A 1789 THR CB . 34899 1 84 . 1 . 1 39 39 THR CG2 C 13 22.57402964 0.03192514068 . 1 . . . . A 1789 THR CG2 . 34899 1 85 . 1 . 1 39 39 THR N N 15 115.8662194 0.04126076628 . 1 . . . . A 1789 THR N . 34899 1 86 . 1 . 1 40 40 GLY H H 1 8.213142218 0.004030204292 . 1 . . . . A 1790 GLY H . 34899 1 87 . 1 . 1 40 40 GLY HA2 H 1 3.402232754 0.006743158457 . 2 . . . . A 1790 GLY HA2 . 34899 1 88 . 1 . 1 40 40 GLY HA3 H 1 4.514149899 0.007199227668 . 2 . . . . A 1790 GLY HA3 . 34899 1 89 . 1 . 1 40 40 GLY C C 13 172.8375194 0 . 1 . . . . A 1790 GLY C . 34899 1 90 . 1 . 1 40 40 GLY CA C 13 44.24249825 0.04120093593 . 1 . . . . A 1790 GLY CA . 34899 1 91 . 1 . 1 40 40 GLY N N 15 110.0703584 0.0469938781 . 1 . . . . A 1790 GLY N . 34899 1 92 . 1 . 1 41 41 TRP H H 1 7.598352569 0.003878342351 . 1 . . . . A 1791 TRP H . 34899 1 93 . 1 . 1 41 41 TRP HA H 1 4.490174838 0.007001934364 . 1 . . . . A 1791 TRP HA . 34899 1 94 . 1 . 1 41 41 TRP HB2 H 1 2.88587706 0.007531637715 . 2 . . . . A 1791 TRP HB2 . 34899 1 95 . 1 . 1 41 41 TRP HB3 H 1 3.129664511 0.00532131525 . 2 . . . . A 1791 TRP HB3 . 34899 1 96 . 1 . 1 41 41 TRP HD1 H 1 7.268608608 0.002945388388 . 1 . . . . A 1791 TRP HD1 . 34899 1 97 . 1 . 1 41 41 TRP HE1 H 1 9.930431705 0.006188341394 . 1 . . . . A 1791 TRP HE1 . 34899 1 98 . 1 . 1 41 41 TRP HE3 H 1 7.167515042 0.00185590272 . 1 . . . . A 1791 TRP HE3 . 34899 1 99 . 1 . 1 41 41 TRP HZ2 H 1 7.384383548 0.001933263767 . 1 . . . . A 1791 TRP HZ2 . 34899 1 100 . 1 . 1 41 41 TRP HZ3 H 1 6.970699656 0.001753563542 . 1 . . . . A 1791 TRP HZ3 . 34899 1 101 . 1 . 1 41 41 TRP HH2 H 1 7.008774976 0.002645155306 . 1 . . . . A 1791 TRP HH2 . 34899 1 102 . 1 . 1 41 41 TRP C C 13 176.9628576 0.02232724313 . 1 . . . . A 1791 TRP C . 34899 1 103 . 1 . 1 41 41 TRP CA C 13 58.58253703 0.02128261701 . 1 . . . . A 1791 TRP CA . 34899 1 104 . 1 . 1 41 41 TRP CB C 13 29.18379412 0.01359445932 . 1 . . . . A 1791 TRP CB . 34899 1 105 . 1 . 1 41 41 TRP N N 15 118.6117371 0.01734482405 . 1 . . . . A 1791 TRP N . 34899 1 106 . 1 . 1 41 41 TRP NE1 N 15 128.5134999 0.0415390758 . 1 . . . . A 1791 TRP NE1 . 34899 1 107 . 1 . 1 42 42 LEU H H 1 10.36071093 0.004492080267 . 1 . . . . A 1792 LEU H . 34899 1 108 . 1 . 1 42 42 LEU HA H 1 4.645328342 0.008237726029 . 1 . . . . A 1792 LEU HA . 34899 1 109 . 1 . 1 42 42 LEU HB2 H 1 1.568358206 0.008844972046 . 2 . . . . A 1792 LEU HB2 . 34899 1 110 . 1 . 1 42 42 LEU HB3 H 1 2.036966726 0.007146958008 . 2 . . . . A 1792 LEU HB3 . 34899 1 111 . 1 . 1 42 42 LEU HG H 1 2.125517748 0.004239944437 . 1 . . . . A 1792 LEU HG . 34899 1 112 . 1 . 1 42 42 LEU HD11 H 1 0.8483511949 0.003083865504 . 2 . . . . A 1792 LEU HD11 . 34899 1 113 . 1 . 1 42 42 LEU HD12 H 1 0.8483511949 0.003083865504 . 2 . . . . A 1792 LEU HD12 . 34899 1 114 . 1 . 1 42 42 LEU HD13 H 1 0.8483511949 0.003083865504 . 2 . . . . A 1792 LEU HD13 . 34899 1 115 . 1 . 1 42 42 LEU HD21 H 1 1.018606398 0.004351660449 . 2 . . . . A 1792 LEU HD21 . 34899 1 116 . 1 . 1 42 42 LEU HD22 H 1 1.018606398 0.004351660449 . 2 . . . . A 1792 LEU HD22 . 34899 1 117 . 1 . 1 42 42 LEU HD23 H 1 1.018606398 0.004351660449 . 2 . . . . A 1792 LEU HD23 . 34899 1 118 . 1 . 1 42 42 LEU CA C 13 54.61772113 0.06580676774 . 1 . . . . A 1792 LEU CA . 34899 1 119 . 1 . 1 42 42 LEU CB C 13 44.07844894 0.06394609022 . 1 . . . . A 1792 LEU CB . 34899 1 120 . 1 . 1 42 42 LEU CG C 13 25.78416688 0 . 1 . . . . A 1792 LEU CG . 34899 1 121 . 1 . 1 42 42 LEU CD1 C 13 23.07414673 0.03109419365 . 2 . . . . A 1792 LEU CD1 . 34899 1 122 . 1 . 1 42 42 LEU CD2 C 13 25.74769456 0.03923763407 . 2 . . . . A 1792 LEU CD2 . 34899 1 123 . 1 . 1 42 42 LEU N N 15 129.1189686 0.02823266621 . 1 . . . . A 1792 LEU N . 34899 1 124 . 1 . 1 43 43 ASP H H 1 8.318558962 0.004871025286 . 1 . . . . A 1793 ASP H . 34899 1 125 . 1 . 1 43 43 ASP HA H 1 5.269918195 0.002740347668 . 1 . . . . A 1793 ASP HA . 34899 1 126 . 1 . 1 43 43 ASP HB2 H 1 2.796533665 0.006669290714 . 2 . . . . A 1793 ASP HB2 . 34899 1 127 . 1 . 1 43 43 ASP HB3 H 1 2.966171568 0.003408466552 . 2 . . . . A 1793 ASP HB3 . 34899 1 128 . 1 . 1 43 43 ASP CA C 13 52.96304499 0.02751648255 . 1 . . . . A 1793 ASP CA . 34899 1 129 . 1 . 1 43 43 ASP CB C 13 42.44635781 0.0732841002 . 1 . . . . A 1793 ASP CB . 34899 1 130 . 1 . 1 43 43 ASP N N 15 122.822105 0.02823255488 . 1 . . . . A 1793 ASP N . 34899 1 131 . 1 . 1 44 44 SER H H 1 11.14056145 0.001839887741 . 1 . . . . A 1794 SER H . 34899 1 132 . 1 . 1 44 44 SER HA H 1 4.556502271 0.002134989987 . 1 . . . . A 1794 SER HA . 34899 1 133 . 1 . 1 44 44 SER HB2 H 1 4.198117407 0.003961943677 . 1 . . . . A 1794 SER HB2 . 34899 1 134 . 1 . 1 44 44 SER HB3 H 1 4.198117407 0.003961943677 . 1 . . . . A 1794 SER HB3 . 34899 1 135 . 1 . 1 44 44 SER CA C 13 60.58308984 0 . 1 . . . . A 1794 SER CA . 34899 1 136 . 1 . 1 44 44 SER CB C 13 64.81028525 0.06311543591 . 1 . . . . A 1794 SER CB . 34899 1 137 . 1 . 1 44 44 SER N N 15 125.7076951 0.01856591032 . 1 . . . . A 1794 SER N . 34899 1 138 . 1 . 1 45 45 GLY H H 1 8.713662597 0.004738773225 . 1 . . . . A 1795 GLY H . 34899 1 139 . 1 . 1 45 45 GLY HA2 H 1 4.269025866 0.003697851878 . 2 . . . . A 1795 GLY HA2 . 34899 1 140 . 1 . 1 45 45 GLY HA3 H 1 4.46991456 0.006810614709 . 2 . . . . A 1795 GLY HA3 . 34899 1 141 . 1 . 1 45 45 GLY CA C 13 45.09158255 0.07863094236 . 1 . . . . A 1795 GLY CA . 34899 1 142 . 1 . 1 45 45 GLY N N 15 112.5979954 0.02030267834 . 1 . . . . A 1795 GLY N . 34899 1 143 . 1 . 1 48 48 ASN HA H 1 4.239560972 0.004825773433 . 1 . . . . A 1798 ASN HA . 34899 1 144 . 1 . 1 48 48 ASN CA C 13 58.41970624 0.02959193908 . 1 . . . . A 1798 ASN CA . 34899 1 145 . 1 . 1 48 48 ASN CB C 13 40.64987869 0 . 1 . . . . A 1798 ASN CB . 34899 1 146 . 1 . 1 49 49 PHE H H 1 7.384413305 0.004450094821 . 1 . . . . A 1799 PHE H . 34899 1 147 . 1 . 1 49 49 PHE HA H 1 4.866886986 0.003953440212 . 1 . . . . A 1799 PHE HA . 34899 1 148 . 1 . 1 49 49 PHE HB2 H 1 2.891806185 0.003663109897 . 2 . . . . A 1799 PHE HB2 . 34899 1 149 . 1 . 1 49 49 PHE CA C 13 54.945545 0.0215661277 . 1 . . . . A 1799 PHE CA . 34899 1 150 . 1 . 1 49 49 PHE CB C 13 41.7952497 0.01723505372 . 1 . . . . A 1799 PHE CB . 34899 1 151 . 1 . 1 49 49 PHE N N 15 119.4229806 0.02183293917 . 1 . . . . A 1799 PHE N . 34899 1 152 . 1 . 1 50 50 HIS H H 1 7.632802015 0.003951087461 . 1 . . . . A 1800 HIS H . 34899 1 153 . 1 . 1 50 50 HIS HB2 H 1 1.772300006 0.006414115693 . 2 . . . . A 1800 HIS HB2 . 34899 1 154 . 1 . 1 50 50 HIS HB3 H 1 2.269045392 0.005219460444 . 2 . . . . A 1800 HIS HB3 . 34899 1 155 . 1 . 1 50 50 HIS CA C 13 53.75161424 0.01701166937 . 1 . . . . A 1800 HIS CA . 34899 1 156 . 1 . 1 50 50 HIS CB C 13 26.78433764 0.03376211496 . 1 . . . . A 1800 HIS CB . 34899 1 157 . 1 . 1 50 50 HIS N N 15 116.6665301 0.04954119618 . 1 . . . . A 1800 HIS N . 34899 1 158 . 1 . 1 51 51 LYS H H 1 8.647519599 0.002204684859 . 1 . . . . A 1801 LYS H . 34899 1 159 . 1 . 1 51 51 LYS CA C 13 53.64099986 0 . 1 . . . . A 1801 LYS CA . 34899 1 160 . 1 . 1 51 51 LYS CB C 13 33.91900337 0 . 1 . . . . A 1801 LYS CB . 34899 1 161 . 1 . 1 51 51 LYS N N 15 121.4894596 0.03955587142 . 1 . . . . A 1801 LYS N . 34899 1 162 . 1 . 1 54 54 GLY HA2 H 1 3.738929898 0.004359706523 . 2 . . . . A 1804 GLY HA2 . 34899 1 163 . 1 . 1 54 54 GLY HA3 H 1 5.305071112 0.003559098626 . 2 . . . . A 1804 GLY HA3 . 34899 1 164 . 1 . 1 54 54 GLY CA C 13 45.86365025 0.02450537436 . 1 . . . . A 1804 GLY CA . 34899 1 165 . 1 . 1 55 55 ASP H H 1 8.572674095 0.007461302184 . 1 . . . . A 1805 ASP H . 34899 1 166 . 1 . 1 55 55 ASP HA H 1 5.366427032 0.002897988455 . 1 . . . . A 1805 ASP HA . 34899 1 167 . 1 . 1 55 55 ASP HB2 H 1 2.673114834 0.004122041198 . 2 . . . . A 1805 ASP HB2 . 34899 1 168 . 1 . 1 55 55 ASP HB3 H 1 2.96301702 0.008419832128 . 2 . . . . A 1805 ASP HB3 . 34899 1 169 . 1 . 1 55 55 ASP CA C 13 52.90799964 0.03906574371 . 1 . . . . A 1805 ASP CA . 34899 1 170 . 1 . 1 55 55 ASP CB C 13 45.44839868 0.05689750989 . 1 . . . . A 1805 ASP CB . 34899 1 171 . 1 . 1 55 55 ASP N N 15 121.1594145 0.01595479853 . 1 . . . . A 1805 ASP N . 34899 1 172 . 1 . 1 56 56 THR H H 1 8.29609643 0.005152817877 . 1 . . . . A 1806 THR H . 34899 1 173 . 1 . 1 56 56 THR HA H 1 4.858380907 0.003192869309 . 1 . . . . A 1806 THR HA . 34899 1 174 . 1 . 1 56 56 THR HB H 1 4.012616309 0.006063814561 . 1 . . . . A 1806 THR HB . 34899 1 175 . 1 . 1 56 56 THR HG21 H 1 1.248990677 0.003888603965 . 1 . . . . A 1806 THR HG21 . 34899 1 176 . 1 . 1 56 56 THR HG22 H 1 1.248990677 0.003888603965 . 1 . . . . A 1806 THR HG22 . 34899 1 177 . 1 . 1 56 56 THR HG23 H 1 1.248990677 0.003888603965 . 1 . . . . A 1806 THR HG23 . 34899 1 178 . 1 . 1 56 56 THR CA C 13 61.55293277 0.08346571057 . 1 . . . . A 1806 THR CA . 34899 1 179 . 1 . 1 56 56 THR CB C 13 71.51165687 0.03958047083 . 1 . . . . A 1806 THR CB . 34899 1 180 . 1 . 1 56 56 THR CG2 C 13 21.98370061 0.01991293191 . 1 . . . . A 1806 THR CG2 . 34899 1 181 . 1 . 1 56 56 THR N N 15 121.9065374 0.02412549263 . 1 . . . . A 1806 THR N . 34899 1 182 . 1 . 1 57 57 GLU H H 1 9.29812135 0.005236550888 . 1 . . . . A 1807 GLU H . 34899 1 183 . 1 . 1 57 57 GLU HA H 1 4.9756828 0.006286115728 . 1 . . . . A 1807 GLU HA . 34899 1 184 . 1 . 1 57 57 GLU HB2 H 1 2.010711564 0.006236177116 . 2 . . . . A 1807 GLU HB2 . 34899 1 185 . 1 . 1 57 57 GLU HB3 H 1 2.031997952 0.003367789899 . 2 . . . . A 1807 GLU HB3 . 34899 1 186 . 1 . 1 57 57 GLU CA C 13 53.19569212 0.1048222646 . 1 . . . . A 1807 GLU CA . 34899 1 187 . 1 . 1 57 57 GLU CB C 13 30.87276063 0.05222136252 . 1 . . . . A 1807 GLU CB . 34899 1 188 . 1 . 1 57 57 GLU N N 15 126.5470628 0.03356854362 . 1 . . . . A 1807 GLU N . 34899 1 189 . 1 . 1 58 58 LEU H H 1 8.581802446 0.006430472509 . 1 . . . . A 1808 LEU H . 34899 1 190 . 1 . 1 58 58 LEU HA H 1 4.826639243 0.005729920963 . 1 . . . . A 1808 LEU HA . 34899 1 191 . 1 . 1 58 58 LEU HB2 H 1 1.523202998 0.006207107051 . 2 . . . . A 1808 LEU HB2 . 34899 1 192 . 1 . 1 58 58 LEU HB3 H 1 1.802073016 0.004987369207 . 2 . . . . A 1808 LEU HB3 . 34899 1 193 . 1 . 1 58 58 LEU HG H 1 1.696806265 0.004998326873 . 1 . . . . A 1808 LEU HG . 34899 1 194 . 1 . 1 58 58 LEU HD11 H 1 0.8275098712 0.002729367572 . 2 . . . . A 1808 LEU HD11 . 34899 1 195 . 1 . 1 58 58 LEU HD12 H 1 0.8275098712 0.002729367572 . 2 . . . . A 1808 LEU HD12 . 34899 1 196 . 1 . 1 58 58 LEU HD13 H 1 0.8275098712 0.002729367572 . 2 . . . . A 1808 LEU HD13 . 34899 1 197 . 1 . 1 58 58 LEU HD21 H 1 0.979022471 0.004836838871 . 2 . . . . A 1808 LEU HD21 . 34899 1 198 . 1 . 1 58 58 LEU HD22 H 1 0.979022471 0.004836838871 . 2 . . . . A 1808 LEU HD22 . 34899 1 199 . 1 . 1 58 58 LEU HD23 H 1 0.979022471 0.004836838871 . 2 . . . . A 1808 LEU HD23 . 34899 1 200 . 1 . 1 58 58 LEU CA C 13 54.28911771 0.02103494943 . 1 . . . . A 1808 LEU CA . 34899 1 201 . 1 . 1 58 58 LEU CB C 13 41.82067781 0.03389471495 . 1 . . . . A 1808 LEU CB . 34899 1 202 . 1 . 1 58 58 LEU CG C 13 27.03226878 0.06894029058 . 1 . . . . A 1808 LEU CG . 34899 1 203 . 1 . 1 58 58 LEU CD1 C 13 22.55533939 0.004015405725 . 2 . . . . A 1808 LEU CD1 . 34899 1 204 . 1 . 1 58 58 LEU CD2 C 13 25.3456256 0.06774402759 . 2 . . . . A 1808 LEU CD2 . 34899 1 205 . 1 . 1 58 58 LEU N N 15 123.6811926 0.02971951426 . 1 . . . . A 1808 LEU N . 34899 1 206 . 1 . 1 59 59 ILE H H 1 7.972940005 0.004539593988 . 1 . . . . A 1809 ILE H . 34899 1 207 . 1 . 1 59 59 ILE HA H 1 3.605266039 0.002414224464 . 1 . . . . A 1809 ILE HA . 34899 1 208 . 1 . 1 59 59 ILE HB H 1 1.612029755 0.02617980496 . 1 . . . . A 1809 ILE HB . 34899 1 209 . 1 . 1 59 59 ILE HG12 H 1 0.958058741 0 . 2 . . . . A 1809 ILE HG12 . 34899 1 210 . 1 . 1 59 59 ILE HG13 H 1 1.528549509 0.002506757488 . 2 . . . . A 1809 ILE HG13 . 34899 1 211 . 1 . 1 59 59 ILE HG21 H 1 0.9325286433 0.004976440924 . 1 . . . . A 1809 ILE HG21 . 34899 1 212 . 1 . 1 59 59 ILE HG22 H 1 0.9325286433 0.004976440924 . 1 . . . . A 1809 ILE HG22 . 34899 1 213 . 1 . 1 59 59 ILE HG23 H 1 0.9325286433 0.004976440924 . 1 . . . . A 1809 ILE HG23 . 34899 1 214 . 1 . 1 59 59 ILE HD11 H 1 0.8562644082 0.007431363405 . 1 . . . . A 1809 ILE HD11 . 34899 1 215 . 1 . 1 59 59 ILE HD12 H 1 0.8562644082 0.007431363405 . 1 . . . . A 1809 ILE HD12 . 34899 1 216 . 1 . 1 59 59 ILE HD13 H 1 0.8562644082 0.007431363405 . 1 . . . . A 1809 ILE HD13 . 34899 1 217 . 1 . 1 59 59 ILE CA C 13 64.80560025 0.06055993183 . 1 . . . . A 1809 ILE CA . 34899 1 218 . 1 . 1 59 59 ILE CB C 13 39.52327777 0.05380507314 . 1 . . . . A 1809 ILE CB . 34899 1 219 . 1 . 1 59 59 ILE CG1 C 13 29.55363788 0.04225349865 . 1 . . . . A 1809 ILE CG1 . 34899 1 220 . 1 . 1 59 59 ILE CG2 C 13 17.46313003 0.04457478898 . 1 . . . . A 1809 ILE CG2 . 34899 1 221 . 1 . 1 59 59 ILE CD1 C 13 14.57820735 0.02326291583 . 1 . . . . A 1809 ILE CD1 . 34899 1 222 . 1 . 1 59 59 ILE N N 15 122.8843578 0.02770616292 . 1 . . . . A 1809 ILE N . 34899 1 223 . 1 . 1 60 60 GLY H H 1 8.413711418 0.004934252647 . 1 . . . . A 1810 GLY H . 34899 1 224 . 1 . 1 60 60 GLY HA2 H 1 3.787660356 0.001203085881 . 2 . . . . A 1810 GLY HA2 . 34899 1 225 . 1 . 1 60 60 GLY HA3 H 1 3.886130804 0.004788665479 . 2 . . . . A 1810 GLY HA3 . 34899 1 226 . 1 . 1 60 60 GLY CA C 13 47.26561649 0.02952793262 . 1 . . . . A 1810 GLY CA . 34899 1 227 . 1 . 1 60 60 GLY N N 15 105.4117588 0.02467647694 . 1 . . . . A 1810 GLY N . 34899 1 228 . 1 . 1 61 61 ASP HA H 1 4.987021394 0.004146916164 . 1 . . . . A 1811 ASP HA . 34899 1 229 . 1 . 1 61 61 ASP HB2 H 1 2.859422731 0.004784444795 . 2 . . . . A 1811 ASP HB2 . 34899 1 230 . 1 . 1 61 61 ASP CA C 13 53.86748423 0.03663565631 . 1 . . . . A 1811 ASP CA . 34899 1 231 . 1 . 1 61 61 ASP CB C 13 41.05903972 0 . 1 . . . . A 1811 ASP CB . 34899 1 232 . 1 . 1 62 62 VAL H H 1 7.921507182 0.004785293928 . 1 . . . . A 1812 VAL H . 34899 1 233 . 1 . 1 62 62 VAL HA H 1 4.032012068 0.003518014687 . 1 . . . . A 1812 VAL HA . 34899 1 234 . 1 . 1 62 62 VAL HB H 1 2.424284635 0.00331305915 . 1 . . . . A 1812 VAL HB . 34899 1 235 . 1 . 1 62 62 VAL HG11 H 1 1.05742926 0.004459743605 . 2 . . . . A 1812 VAL HG11 . 34899 1 236 . 1 . 1 62 62 VAL HG12 H 1 1.05742926 0.004459743605 . 2 . . . . A 1812 VAL HG12 . 34899 1 237 . 1 . 1 62 62 VAL HG13 H 1 1.05742926 0.004459743605 . 2 . . . . A 1812 VAL HG13 . 34899 1 238 . 1 . 1 62 62 VAL HG21 H 1 1.161927675 0.002721036866 . 2 . . . . A 1812 VAL HG21 . 34899 1 239 . 1 . 1 62 62 VAL HG22 H 1 1.161927675 0.002721036866 . 2 . . . . A 1812 VAL HG22 . 34899 1 240 . 1 . 1 62 62 VAL HG23 H 1 1.161927675 0.002721036866 . 2 . . . . A 1812 VAL HG23 . 34899 1 241 . 1 . 1 62 62 VAL CA C 13 66.00220167 0.03459118285 . 1 . . . . A 1812 VAL CA . 34899 1 242 . 1 . 1 62 62 VAL CB C 13 32.17344768 0.01326310572 . 1 . . . . A 1812 VAL CB . 34899 1 243 . 1 . 1 62 62 VAL CG1 C 13 21.59678632 0.01505763191 . 2 . . . . A 1812 VAL CG1 . 34899 1 244 . 1 . 1 62 62 VAL CG2 C 13 22.03462364 0.008076778475 . 2 . . . . A 1812 VAL CG2 . 34899 1 245 . 1 . 1 62 62 VAL N N 15 120.5222769 0.02693265435 . 1 . . . . A 1812 VAL N . 34899 1 246 . 1 . 1 63 63 CYS H H 1 8.583394118 0.004339824254 . 1 . . . . A 1813 CYS H . 34899 1 247 . 1 . 1 63 63 CYS HA H 1 4.992679409 0.005873126575 . 1 . . . . A 1813 CYS HA . 34899 1 248 . 1 . 1 63 63 CYS HB2 H 1 2.469757914 0.002641658405 . 2 . . . . A 1813 CYS HB2 . 34899 1 249 . 1 . 1 63 63 CYS HB3 H 1 2.931464766 0.004708736444 . 2 . . . . A 1813 CYS HB3 . 34899 1 250 . 1 . 1 63 63 CYS CA C 13 51.47689004 0.04440822153 . 1 . . . . A 1813 CYS CA . 34899 1 251 . 1 . 1 63 63 CYS CB C 13 32.80782039 0.04126886849 . 1 . . . . A 1813 CYS CB . 34899 1 252 . 1 . 1 63 63 CYS N N 15 115.0365686 0.01728506798 . 1 . . . . A 1813 CYS N . 34899 1 253 . 1 . 1 64 64 GLY H H 1 8.389963942 0.004843460407 . 1 . . . . A 1814 GLY H . 34899 1 254 . 1 . 1 64 64 GLY HA2 H 1 3.763445499 0.005816113005 . 2 . . . . A 1814 GLY HA2 . 34899 1 255 . 1 . 1 64 64 GLY HA3 H 1 4.243744642 0.003786695953 . 2 . . . . A 1814 GLY HA3 . 34899 1 256 . 1 . 1 64 64 GLY CA C 13 45.661537 0.02404121268 . 1 . . . . A 1814 GLY CA . 34899 1 257 . 1 . 1 64 64 GLY N N 15 114.6953247 0.04893036783 . 1 . . . . A 1814 GLY N . 34899 1 258 . 1 . 1 65 65 PRO HA H 1 4.735512103 0.002394798143 . 1 . . . . A 1815 PRO HA . 34899 1 259 . 1 . 1 65 65 PRO HB2 H 1 2.189893323 0.00270183244 . 2 . . . . A 1815 PRO HB2 . 34899 1 260 . 1 . 1 65 65 PRO HB3 H 1 2.33881541 0.004316417049 . 2 . . . . A 1815 PRO HB3 . 34899 1 261 . 1 . 1 65 65 PRO HG2 H 1 1.988971501 0.006673335256 . 2 . . . . A 1815 PRO HG2 . 34899 1 262 . 1 . 1 65 65 PRO HG3 H 1 2.09417602 0.004337384253 . 2 . . . . A 1815 PRO HG3 . 34899 1 263 . 1 . 1 65 65 PRO HD2 H 1 3.770460124 0.00586037247 . 2 . . . . A 1815 PRO HD2 . 34899 1 264 . 1 . 1 65 65 PRO HD3 H 1 4.035473371 0.006506247549 . 2 . . . . A 1815 PRO HD3 . 34899 1 265 . 1 . 1 65 65 PRO CA C 13 63.64206121 0.03860894829 . 1 . . . . A 1815 PRO CA . 34899 1 266 . 1 . 1 65 65 PRO CB C 13 32.31669417 0.00000715 . 1 . . . . A 1815 PRO CB . 34899 1 267 . 1 . 1 65 65 PRO CG C 13 26.46664106 0.02840458459 . 1 . . . . A 1815 PRO CG . 34899 1 268 . 1 . 1 65 65 PRO CD C 13 50.98234183 0.02209016383 . 1 . . . . A 1815 PRO CD . 34899 1 269 . 1 . 1 66 66 GLY H H 1 7.781732085 0.006368663895 . 1 . . . . A 1816 GLY H . 34899 1 270 . 1 . 1 66 66 GLY HA2 H 1 3.971562516 0.003328492201 . 2 . . . . A 1816 GLY HA2 . 34899 1 271 . 1 . 1 66 66 GLY HA3 H 1 4.626782968 0.002351603821 . 2 . . . . A 1816 GLY HA3 . 34899 1 272 . 1 . 1 66 66 GLY CA C 13 44.71252505 0.0439831996 . 1 . . . . A 1816 GLY CA . 34899 1 273 . 1 . 1 66 66 GLY N N 15 109.6293921 0.02806872698 . 1 . . . . A 1816 GLY N . 34899 1 274 . 1 . 1 67 67 TRP H H 1 8.854458419 0.004503442916 . 1 . . . . A 1817 TRP H . 34899 1 275 . 1 . 1 67 67 TRP HA H 1 5.069023334 0.002638818286 . 1 . . . . A 1817 TRP HA . 34899 1 276 . 1 . 1 67 67 TRP HB2 H 1 3.183385689 0.002461459562 . 2 . . . . A 1817 TRP HB2 . 34899 1 277 . 1 . 1 67 67 TRP HB3 H 1 3.249498391 0.004686013225 . 2 . . . . A 1817 TRP HB3 . 34899 1 278 . 1 . 1 67 67 TRP HD1 H 1 6.811250399 0.003144814774 . 1 . . . . A 1817 TRP HD1 . 34899 1 279 . 1 . 1 67 67 TRP HE1 H 1 10.1197021 0.005149248263 . 1 . . . . A 1817 TRP HE1 . 34899 1 280 . 1 . 1 67 67 TRP HE3 H 1 7.557739412 0.003704892061 . 1 . . . . A 1817 TRP HE3 . 34899 1 281 . 1 . 1 67 67 TRP HZ2 H 1 7.263388437 0.005577850912 . 1 . . . . A 1817 TRP HZ2 . 34899 1 282 . 1 . 1 67 67 TRP HZ3 H 1 7.130445861 0.002974434113 . 1 . . . . A 1817 TRP HZ3 . 34899 1 283 . 1 . 1 67 67 TRP HH2 H 1 6.907582508 0.002614261597 . 1 . . . . A 1817 TRP HH2 . 34899 1 284 . 1 . 1 67 67 TRP CA C 13 55.71949743 0.03793405672 . 1 . . . . A 1817 TRP CA . 34899 1 285 . 1 . 1 67 67 TRP CB C 13 32.32886729 0.02487557068 . 1 . . . . A 1817 TRP CB . 34899 1 286 . 1 . 1 67 67 TRP CD1 C 13 127.826481 0.03918881937 . 1 . . . . A 1817 TRP CD1 . 34899 1 287 . 1 . 1 67 67 TRP CE3 C 13 123.010782 0.070599386 . 1 . . . . A 1817 TRP CE3 . 34899 1 288 . 1 . 1 67 67 TRP CZ2 C 13 113.6625487 0.01778123147 . 1 . . . . A 1817 TRP CZ2 . 34899 1 289 . 1 . 1 67 67 TRP CZ3 C 13 121.8581484 0.06487629208 . 1 . . . . A 1817 TRP CZ3 . 34899 1 290 . 1 . 1 67 67 TRP N N 15 119.6487576 0.01726554244 . 1 . . . . A 1817 TRP N . 34899 1 291 . 1 . 1 67 67 TRP NE1 N 15 129.3978733 0.001836522205 . 1 . . . . A 1817 TRP NE1 . 34899 1 292 . 1 . 1 68 68 ALA H H 1 8.499894689 0.007356918139 . 1 . . . . A 1818 ALA H . 34899 1 293 . 1 . 1 68 68 ALA HA H 1 4.807705067 0.004485004473 . 1 . . . . A 1818 ALA HA . 34899 1 294 . 1 . 1 68 68 ALA HB1 H 1 1.311422021 0.002657193098 . 1 . . . . A 1818 ALA HB1 . 34899 1 295 . 1 . 1 68 68 ALA HB2 H 1 1.311422021 0.002657193098 . 1 . . . . A 1818 ALA HB2 . 34899 1 296 . 1 . 1 68 68 ALA HB3 H 1 1.311422021 0.002657193098 . 1 . . . . A 1818 ALA HB3 . 34899 1 297 . 1 . 1 68 68 ALA CA C 13 51.5131335 0.06000310453 . 1 . . . . A 1818 ALA CA . 34899 1 298 . 1 . 1 68 68 ALA CB C 13 19.2016289 0.03476364228 . 1 . . . . A 1818 ALA CB . 34899 1 299 . 1 . 1 68 68 ALA N N 15 124.3764989 0.05408311209 . 1 . . . . A 1818 ALA N . 34899 1 300 . 1 . 1 69 69 ALA H H 1 8.927054804 0.004361267458 . 1 . . . . A 1819 ALA H . 34899 1 301 . 1 . 1 69 69 ALA HA H 1 4.586106024 0.003817165851 . 1 . . . . A 1819 ALA HA . 34899 1 302 . 1 . 1 69 69 ALA HB1 H 1 1.268475084 0.003266188672 . 1 . . . . A 1819 ALA HB1 . 34899 1 303 . 1 . 1 69 69 ALA HB2 H 1 1.268475084 0.003266188672 . 1 . . . . A 1819 ALA HB2 . 34899 1 304 . 1 . 1 69 69 ALA HB3 H 1 1.268475084 0.003266188672 . 1 . . . . A 1819 ALA HB3 . 34899 1 305 . 1 . 1 69 69 ALA CA C 13 52.24493127 0.06912085559 . 1 . . . . A 1819 ALA CA . 34899 1 306 . 1 . 1 69 69 ALA CB C 13 22.94536629 0.01734420977 . 1 . . . . A 1819 ALA CB . 34899 1 307 . 1 . 1 69 69 ALA N N 15 127.5147791 0.03588035287 . 1 . . . . A 1819 ALA N . 34899 1 308 . 1 . 1 70 70 ASN H H 1 7.68539719 0.00557719932 . 1 . . . . A 1820 ASN H . 34899 1 309 . 1 . 1 70 70 ASN HA H 1 4.772600483 0.002214267509 . 1 . . . . A 1820 ASN HA . 34899 1 310 . 1 . 1 70 70 ASN HB2 H 1 2.535186074 0.004489654074 . 2 . . . . A 1820 ASN HB2 . 34899 1 311 . 1 . 1 70 70 ASN HB3 H 1 2.831077 0.004713207395 . 2 . . . . A 1820 ASN HB3 . 34899 1 312 . 1 . 1 70 70 ASN CA C 13 51.44307177 0.03042947454 . 1 . . . . A 1820 ASN CA . 34899 1 313 . 1 . 1 70 70 ASN CB C 13 42.58114405 0.02506242567 . 1 . . . . A 1820 ASN CB . 34899 1 314 . 1 . 1 70 70 ASN N N 15 114.1094947 0.02508300469 . 1 . . . . A 1820 ASN N . 34899 1 315 . 1 . 1 71 71 ILE H H 1 9.074630654 0.006186819248 . 1 . . . . A 1821 ILE H . 34899 1 316 . 1 . 1 71 71 ILE HA H 1 5.408493484 0.002583429756 . 1 . . . . A 1821 ILE HA . 34899 1 317 . 1 . 1 71 71 ILE HB H 1 1.72662045 0.003555177143 . 1 . . . . A 1821 ILE HB . 34899 1 318 . 1 . 1 71 71 ILE HG12 H 1 1.263402089 0.002859077286 . 2 . . . . A 1821 ILE HG12 . 34899 1 319 . 1 . 1 71 71 ILE HG13 H 1 1.700742494 0 . 2 . . . . A 1821 ILE HG13 . 34899 1 320 . 1 . 1 71 71 ILE HG21 H 1 0.8623548277 0.00263478981 . 1 . . . . A 1821 ILE HG21 . 34899 1 321 . 1 . 1 71 71 ILE HG22 H 1 0.8623548277 0.00263478981 . 1 . . . . A 1821 ILE HG22 . 34899 1 322 . 1 . 1 71 71 ILE HG23 H 1 0.8623548277 0.00263478981 . 1 . . . . A 1821 ILE HG23 . 34899 1 323 . 1 . 1 71 71 ILE HD11 H 1 0.8492719462 0.008634200772 . 1 . . . . A 1821 ILE HD11 . 34899 1 324 . 1 . 1 71 71 ILE HD12 H 1 0.8492719462 0.008634200772 . 1 . . . . A 1821 ILE HD12 . 34899 1 325 . 1 . 1 71 71 ILE HD13 H 1 0.8492719462 0.008634200772 . 1 . . . . A 1821 ILE HD13 . 34899 1 326 . 1 . 1 71 71 ILE CA C 13 59.97019731 0.04266214285 . 1 . . . . A 1821 ILE CA . 34899 1 327 . 1 . 1 71 71 ILE CB C 13 42.66026291 0.06567853271 . 1 . . . . A 1821 ILE CB . 34899 1 328 . 1 . 1 71 71 ILE CG1 C 13 29.03946875 0.08128895462 . 1 . . . . A 1821 ILE CG1 . 34899 1 329 . 1 . 1 71 71 ILE CG2 C 13 15.32084158 0.01941593074 . 1 . . . . A 1821 ILE CG2 . 34899 1 330 . 1 . 1 71 71 ILE CD1 C 13 15.42242151 0.07165368533 . 1 . . . . A 1821 ILE CD1 . 34899 1 331 . 1 . 1 71 71 ILE N N 15 119.9280646 0.02285007177 . 1 . . . . A 1821 ILE N . 34899 1 332 . 1 . 1 72 72 SER H H 1 9.215025703 0.005657772717 . 1 . . . . A 1822 SER H . 34899 1 333 . 1 . 1 72 72 SER HA H 1 5.085927648 0.004083838008 . 1 . . . . A 1822 SER HA . 34899 1 334 . 1 . 1 72 72 SER HB2 H 1 3.623618893 0.003664447935 . 2 . . . . A 1822 SER HB2 . 34899 1 335 . 1 . 1 72 72 SER HB3 H 1 3.860257127 0.008623526776 . 2 . . . . A 1822 SER HB3 . 34899 1 336 . 1 . 1 72 72 SER CA C 13 57.06010571 0.06854740994 . 1 . . . . A 1822 SER CA . 34899 1 337 . 1 . 1 72 72 SER CB C 13 65.93145577 0.08396714915 . 1 . . . . A 1822 SER CB . 34899 1 338 . 1 . 1 72 72 SER N N 15 122.2863554 0.01497269898 . 1 . . . . A 1822 SER N . 34899 1 339 . 1 . 1 73 73 CYS H H 1 9.068407826 0.006735071345 . 1 . . . . A 1823 CYS H . 34899 1 340 . 1 . 1 73 73 CYS HA H 1 5.773894851 0.003412370274 . 1 . . . . A 1823 CYS HA . 34899 1 341 . 1 . 1 73 73 CYS HB2 H 1 2.963306471 0.003776196273 . 2 . . . . A 1823 CYS HB2 . 34899 1 342 . 1 . 1 73 73 CYS HB3 H 1 3.566586989 0.004740815576 . 2 . . . . A 1823 CYS HB3 . 34899 1 343 . 1 . 1 73 73 CYS CA C 13 55.38519142 0.0441350535 . 1 . . . . A 1823 CYS CA . 34899 1 344 . 1 . 1 73 73 CYS CB C 13 51.60063227 0.06616580407 . 1 . . . . A 1823 CYS CB . 34899 1 345 . 1 . 1 73 73 CYS N N 15 121.9393207 0.04553193547 . 1 . . . . A 1823 CYS N . 34899 1 346 . 1 . 1 74 74 ARG H H 1 9.081175278 0.003971553774 . 1 . . . . A 1824 ARG H . 34899 1 347 . 1 . 1 74 74 ARG HA H 1 4.878379863 0.001698832996 . 1 . . . . A 1824 ARG HA . 34899 1 348 . 1 . 1 74 74 ARG HB2 H 1 1.603011738 0.001580145756 . 2 . . . . A 1824 ARG HB2 . 34899 1 349 . 1 . 1 74 74 ARG HB3 H 1 2.112760543 0.005203120117 . 2 . . . . A 1824 ARG HB3 . 34899 1 350 . 1 . 1 74 74 ARG CA C 13 55.22698076 0.06589567601 . 1 . . . . A 1824 ARG CA . 34899 1 351 . 1 . 1 74 74 ARG CB C 13 33.35310868 0.02497223938 . 1 . . . . A 1824 ARG CB . 34899 1 352 . 1 . 1 74 74 ARG N N 15 119.391587 0.02477197577 . 1 . . . . A 1824 ARG N . 34899 1 353 . 1 . 1 75 75 ALA H H 1 9.542468814 0.00734251573 . 1 . . . . A 1825 ALA H . 34899 1 354 . 1 . 1 75 75 ALA HA H 1 4.605755111 0.009216888182 . 1 . . . . A 1825 ALA HA . 34899 1 355 . 1 . 1 75 75 ALA HB1 H 1 1.273934542 0.005104029154 . 1 . . . . A 1825 ALA HB1 . 34899 1 356 . 1 . 1 75 75 ALA HB2 H 1 1.273934542 0.005104029154 . 1 . . . . A 1825 ALA HB2 . 34899 1 357 . 1 . 1 75 75 ALA HB3 H 1 1.273934542 0.005104029154 . 1 . . . . A 1825 ALA HB3 . 34899 1 358 . 1 . 1 75 75 ALA CA C 13 50.69684071 0.06066189102 . 1 . . . . A 1825 ALA CA . 34899 1 359 . 1 . 1 75 75 ALA CB C 13 19.53959923 0.06172779548 . 1 . . . . A 1825 ALA CB . 34899 1 360 . 1 . 1 75 75 ALA N N 15 126.88178 0.02162731605 . 1 . . . . A 1825 ALA N . 34899 1 361 . 1 . 1 77 77 MET HE1 H 1 2.044478067 0.001282399961 . 1 . . . . A 1827 MET HE1 . 34899 1 362 . 1 . 1 77 77 MET HE2 H 1 2.044478067 0.001282399961 . 1 . . . . A 1827 MET HE2 . 34899 1 363 . 1 . 1 77 77 MET HE3 H 1 2.044478067 0.001282399961 . 1 . . . . A 1827 MET HE3 . 34899 1 364 . 1 . 1 77 77 MET CE C 13 16.64216461 0.01761467731 . 1 . . . . A 1827 MET CE . 34899 1 365 . 1 . 1 78 78 TYR HA H 1 5.07808857 0.004450289896 . 1 . . . . A 1828 TYR HA . 34899 1 366 . 1 . 1 78 78 TYR HB2 H 1 2.657158069 0.005793132306 . 2 . . . . A 1828 TYR HB2 . 34899 1 367 . 1 . 1 78 78 TYR HB3 H 1 3.11512644 0.004166268471 . 2 . . . . A 1828 TYR HB3 . 34899 1 368 . 1 . 1 78 78 TYR HD1 H 1 6.970548564 0.006189613656 . 3 . . . . A 1828 TYR HD1 . 34899 1 369 . 1 . 1 78 78 TYR HD2 H 1 6.970548564 0.006189613656 . 3 . . . . A 1828 TYR HD2 . 34899 1 370 . 1 . 1 78 78 TYR HE1 H 1 6.775550994 0.003803635214 . 3 . . . . A 1828 TYR HE1 . 34899 1 371 . 1 . 1 78 78 TYR HE2 H 1 6.775550994 0.003803635214 . 3 . . . . A 1828 TYR HE2 . 34899 1 372 . 1 . 1 78 78 TYR CA C 13 54.48902925 0.03277197127 . 1 . . . . A 1828 TYR CA . 34899 1 373 . 1 . 1 78 78 TYR CB C 13 39.92705349 0.03767863821 . 1 . . . . A 1828 TYR CB . 34899 1 374 . 1 . 1 78 78 TYR CD1 C 13 133.7398544 0.04801449063 . 3 . . . . A 1828 TYR CD1 . 34899 1 375 . 1 . 1 78 78 TYR CD2 C 13 133.7398544 0.04801449063 . 3 . . . . A 1828 TYR CD2 . 34899 1 376 . 1 . 1 78 78 TYR CE1 C 13 118.0328322 0.07722591242 . 3 . . . . A 1828 TYR CE1 . 34899 1 377 . 1 . 1 78 78 TYR CE2 C 13 118.0328322 0.07722591242 . 3 . . . . A 1828 TYR CE2 . 34899 1 378 . 1 . 1 79 79 PRO HA H 1 4.163562472 0.001706403107 . 1 . . . . A 1829 PRO HA . 34899 1 379 . 1 . 1 79 79 PRO HB2 H 1 1.749768069 0.003397409068 . 2 . . . . A 1829 PRO HB2 . 34899 1 380 . 1 . 1 79 79 PRO HB3 H 1 1.843357411 0.003754890134 . 2 . . . . A 1829 PRO HB3 . 34899 1 381 . 1 . 1 79 79 PRO HG2 H 1 1.822131671 0.00873382635 . 2 . . . . A 1829 PRO HG2 . 34899 1 382 . 1 . 1 79 79 PRO HG3 H 1 1.884195758 0.003151805603 . 2 . . . . A 1829 PRO HG3 . 34899 1 383 . 1 . 1 79 79 PRO HD2 H 1 3.302068153 0.004231863357 . 2 . . . . A 1829 PRO HD2 . 34899 1 384 . 1 . 1 79 79 PRO HD3 H 1 3.481610017 0.004071961339 . 2 . . . . A 1829 PRO HD3 . 34899 1 385 . 1 . 1 79 79 PRO CA C 13 65.68501643 0.04042074913 . 1 . . . . A 1829 PRO CA . 34899 1 386 . 1 . 1 79 79 PRO CB C 13 31.19413244 0.03609772668 . 1 . . . . A 1829 PRO CB . 34899 1 387 . 1 . 1 79 79 PRO CG C 13 27.4191911 0.04058260217 . 1 . . . . A 1829 PRO CG . 34899 1 388 . 1 . 1 79 79 PRO CD C 13 49.85646338 0.04546545417 . 1 . . . . A 1829 PRO CD . 34899 1 389 . 1 . 1 80 80 ASP H H 1 8.499675927 0.003796414189 . 1 . . . . A 1830 ASP H . 34899 1 390 . 1 . 1 80 80 ASP HA H 1 4.729711645 0.008856531105 . 1 . . . . A 1830 ASP HA . 34899 1 391 . 1 . 1 80 80 ASP HB2 H 1 2.680050339 0.003674088214 . 2 . . . . A 1830 ASP HB2 . 34899 1 392 . 1 . 1 80 80 ASP HB3 H 1 2.807436154 0.004987109854 . 2 . . . . A 1830 ASP HB3 . 34899 1 393 . 1 . 1 80 80 ASP CA C 13 53.8686301 0.01406468576 . 1 . . . . A 1830 ASP CA . 34899 1 394 . 1 . 1 80 80 ASP CB C 13 41.0813222 0.01255083217 . 1 . . . . A 1830 ASP CB . 34899 1 395 . 1 . 1 80 80 ASP N N 15 116.5591664 0.01716104776 . 1 . . . . A 1830 ASP N . 34899 1 396 . 1 . 1 81 81 VAL H H 1 7.470127564 0.003687088306 . 1 . . . . A 1831 VAL H . 34899 1 397 . 1 . 1 81 81 VAL HA H 1 4.494370943 0.003450474559 . 1 . . . . A 1831 VAL HA . 34899 1 398 . 1 . 1 81 81 VAL HB H 1 2.12915433 0.004551021984 . 1 . . . . A 1831 VAL HB . 34899 1 399 . 1 . 1 81 81 VAL HG11 H 1 0.9862862802 0.002939338514 . 2 . . . . A 1831 VAL HG11 . 34899 1 400 . 1 . 1 81 81 VAL HG12 H 1 0.9862862802 0.002939338514 . 2 . . . . A 1831 VAL HG12 . 34899 1 401 . 1 . 1 81 81 VAL HG13 H 1 0.9862862802 0.002939338514 . 2 . . . . A 1831 VAL HG13 . 34899 1 402 . 1 . 1 81 81 VAL HG21 H 1 0.9879435262 0.004023494684 . 2 . . . . A 1831 VAL HG21 . 34899 1 403 . 1 . 1 81 81 VAL HG22 H 1 0.9879435262 0.004023494684 . 2 . . . . A 1831 VAL HG22 . 34899 1 404 . 1 . 1 81 81 VAL HG23 H 1 0.9879435262 0.004023494684 . 2 . . . . A 1831 VAL HG23 . 34899 1 405 . 1 . 1 81 81 VAL CA C 13 59.91778236 0.03660905718 . 1 . . . . A 1831 VAL CA . 34899 1 406 . 1 . 1 81 81 VAL CB C 13 33.77039579 0.04496321719 . 1 . . . . A 1831 VAL CB . 34899 1 407 . 1 . 1 81 81 VAL CG1 C 13 20.96790128 0.0424962918 . 2 . . . . A 1831 VAL CG1 . 34899 1 408 . 1 . 1 81 81 VAL CG2 C 13 21.5712569 0.02659895862 . 2 . . . . A 1831 VAL CG2 . 34899 1 409 . 1 . 1 81 81 VAL N N 15 122.8096089 0.03364704312 . 1 . . . . A 1831 VAL N . 34899 1 410 . 1 . 1 82 82 PRO HA H 1 4.607562694 0.004652164947 . 1 . . . . A 1832 PRO HA . 34899 1 411 . 1 . 1 82 82 PRO HB2 H 1 1.983264788 0.003966309304 . 2 . . . . A 1832 PRO HB2 . 34899 1 412 . 1 . 1 82 82 PRO HB3 H 1 2.594337114 0.00396425862 . 2 . . . . A 1832 PRO HB3 . 34899 1 413 . 1 . 1 82 82 PRO HG2 H 1 2.144481769 0.005100634097 . 2 . . . . A 1832 PRO HG2 . 34899 1 414 . 1 . 1 82 82 PRO HG3 H 1 2.205695876 0.006795130323 . 2 . . . . A 1832 PRO HG3 . 34899 1 415 . 1 . 1 82 82 PRO HD2 H 1 3.660833684 0.005554832059 . 2 . . . . A 1832 PRO HD2 . 34899 1 416 . 1 . 1 82 82 PRO HD3 H 1 4.158694111 0.002787699992 . 2 . . . . A 1832 PRO HD3 . 34899 1 417 . 1 . 1 82 82 PRO CA C 13 63.17105405 0 . 1 . . . . A 1832 PRO CA . 34899 1 418 . 1 . 1 82 82 PRO CB C 13 32.64826365 0.05342325733 . 1 . . . . A 1832 PRO CB . 34899 1 419 . 1 . 1 82 82 PRO CG C 13 28.30217995 0.03615523911 . 1 . . . . A 1832 PRO CG . 34899 1 420 . 1 . 1 82 82 PRO CD C 13 51.39528413 0.01173534333 . 1 . . . . A 1832 PRO CD . 34899 1 421 . 1 . 1 83 83 ILE H H 1 8.822658995 0.005087506074 . 1 . . . . A 1833 ILE H . 34899 1 422 . 1 . 1 83 83 ILE HA H 1 4.089858553 0.003249582963 . 1 . . . . A 1833 ILE HA . 34899 1 423 . 1 . 1 83 83 ILE HB H 1 2.134995076 0.002966650669 . 1 . . . . A 1833 ILE HB . 34899 1 424 . 1 . 1 83 83 ILE HG12 H 1 1.460788998 0.004638181892 . 2 . . . . A 1833 ILE HG12 . 34899 1 425 . 1 . 1 83 83 ILE HG13 H 1 1.792510897 0.004089698709 . 2 . . . . A 1833 ILE HG13 . 34899 1 426 . 1 . 1 83 83 ILE HG21 H 1 1.258733856 0.003194230672 . 1 . . . . A 1833 ILE HG21 . 34899 1 427 . 1 . 1 83 83 ILE HG22 H 1 1.258733856 0.003194230672 . 1 . . . . A 1833 ILE HG22 . 34899 1 428 . 1 . 1 83 83 ILE HG23 H 1 1.258733856 0.003194230672 . 1 . . . . A 1833 ILE HG23 . 34899 1 429 . 1 . 1 83 83 ILE HD11 H 1 0.9017347628 0.003893323474 . 1 . . . . A 1833 ILE HD11 . 34899 1 430 . 1 . 1 83 83 ILE HD12 H 1 0.9017347628 0.003893323474 . 1 . . . . A 1833 ILE HD12 . 34899 1 431 . 1 . 1 83 83 ILE HD13 H 1 0.9017347628 0.003893323474 . 1 . . . . A 1833 ILE HD13 . 34899 1 432 . 1 . 1 83 83 ILE CA C 13 65.54256485 0.0393884776 . 1 . . . . A 1833 ILE CA . 34899 1 433 . 1 . 1 83 83 ILE CB C 13 38.37346213 0.04554854274 . 1 . . . . A 1833 ILE CB . 34899 1 434 . 1 . 1 83 83 ILE CG1 C 13 27.91910142 0.03254779867 . 1 . . . . A 1833 ILE CG1 . 34899 1 435 . 1 . 1 83 83 ILE CG2 C 13 18.06649859 0.02666397025 . 1 . . . . A 1833 ILE CG2 . 34899 1 436 . 1 . 1 83 83 ILE CD1 C 13 15.06575079 0.025858257 . 1 . . . . A 1833 ILE CD1 . 34899 1 437 . 1 . 1 83 83 ILE N N 15 121.8222091 0.02772331333 . 1 . . . . A 1833 ILE N . 34899 1 438 . 1 . 1 84 84 GLY H H 1 9.363650094 0.003353831358 . 1 . . . . A 1834 GLY H . 34899 1 439 . 1 . 1 84 84 GLY HA2 H 1 4.023659713 0.006553747183 . 2 . . . . A 1834 GLY HA2 . 34899 1 440 . 1 . 1 84 84 GLY HA3 H 1 4.215390488 0.0014988655 . 2 . . . . A 1834 GLY HA3 . 34899 1 441 . 1 . 1 84 84 GLY CA C 13 46.55122237 0.0623629524 . 1 . . . . A 1834 GLY CA . 34899 1 442 . 1 . 1 85 85 GLN H H 1 8.047437933 0.003271606982 . 1 . . . . A 1835 GLN H . 34899 1 443 . 1 . 1 85 85 GLN HA H 1 4.436150795 0.001681182564 . 1 . . . . A 1835 GLN HA . 34899 1 444 . 1 . 1 85 85 GLN HB2 H 1 2.056060523 0.004263626069 . 2 . . . . A 1835 GLN HB2 . 34899 1 445 . 1 . 1 85 85 GLN HB3 H 1 2.315113572 0.003816463384 . 2 . . . . A 1835 GLN HB3 . 34899 1 446 . 1 . 1 85 85 GLN HG2 H 1 2.478906739 0.00258897783 . 2 . . . . A 1835 GLN HG2 . 34899 1 447 . 1 . 1 85 85 GLN CA C 13 56.49115892 0.004766101583 . 1 . . . . A 1835 GLN CA . 34899 1 448 . 1 . 1 85 85 GLN CB C 13 29.17303447 0.01704501818 . 1 . . . . A 1835 GLN CB . 34899 1 449 . 1 . 1 85 85 GLN CG C 13 34.52933745 0.008086564932 . 1 . . . . A 1835 GLN CG . 34899 1 450 . 1 . 1 85 85 GLN N N 15 118.6773203 0.01505348896 . 1 . . . . A 1835 GLN N . 34899 1 451 . 1 . 1 86 86 LEU H H 1 7.515494243 0.005947041601 . 1 . . . . A 1836 LEU H . 34899 1 452 . 1 . 1 86 86 LEU HA H 1 4.180704775 0.002059191466 . 1 . . . . A 1836 LEU HA . 34899 1 453 . 1 . 1 86 86 LEU HB2 H 1 1.52015008 0.007817392613 . 2 . . . . A 1836 LEU HB2 . 34899 1 454 . 1 . 1 86 86 LEU HB3 H 1 2.186225318 0.006394130014 . 2 . . . . A 1836 LEU HB3 . 34899 1 455 . 1 . 1 86 86 LEU HG H 1 1.749037698 0.004206190723 . 1 . . . . A 1836 LEU HG . 34899 1 456 . 1 . 1 86 86 LEU HD11 H 1 0.6236519302 0.003511398543 . 2 . . . . A 1836 LEU HD11 . 34899 1 457 . 1 . 1 86 86 LEU HD12 H 1 0.6236519302 0.003511398543 . 2 . . . . A 1836 LEU HD12 . 34899 1 458 . 1 . 1 86 86 LEU HD13 H 1 0.6236519302 0.003511398543 . 2 . . . . A 1836 LEU HD13 . 34899 1 459 . 1 . 1 86 86 LEU HD21 H 1 1.13730423 0.004547946955 . 2 . . . . A 1836 LEU HD21 . 34899 1 460 . 1 . 1 86 86 LEU HD22 H 1 1.13730423 0.004547946955 . 2 . . . . A 1836 LEU HD22 . 34899 1 461 . 1 . 1 86 86 LEU HD23 H 1 1.13730423 0.004547946955 . 2 . . . . A 1836 LEU HD23 . 34899 1 462 . 1 . 1 86 86 LEU CA C 13 56.12408951 0.02650902012 . 1 . . . . A 1836 LEU CA . 34899 1 463 . 1 . 1 86 86 LEU CB C 13 42.83018463 0.0326196671 . 1 . . . . A 1836 LEU CB . 34899 1 464 . 1 . 1 86 86 LEU CG C 13 26.58018612 0.03126980614 . 1 . . . . A 1836 LEU CG . 34899 1 465 . 1 . 1 86 86 LEU CD1 C 13 22.88843026 0.02030453188 . 2 . . . . A 1836 LEU CD1 . 34899 1 466 . 1 . 1 86 86 LEU CD2 C 13 27.09758144 0.04184939279 . 2 . . . . A 1836 LEU CD2 . 34899 1 467 . 1 . 1 86 86 LEU N N 15 118.8086752 0.04518424189 . 1 . . . . A 1836 LEU N . 34899 1 468 . 1 . 1 87 87 GLY H H 1 7.604389491 0.004635035922 . 1 . . . . A 1837 GLY H . 34899 1 469 . 1 . 1 87 87 GLY HA2 H 1 3.900746689 0.007172951638 . 2 . . . . A 1837 GLY HA2 . 34899 1 470 . 1 . 1 87 87 GLY HA3 H 1 4.129286301 0.004103970633 . 2 . . . . A 1837 GLY HA3 . 34899 1 471 . 1 . 1 87 87 GLY CA C 13 46.49163981 0.07760268468 . 1 . . . . A 1837 GLY CA . 34899 1 472 . 1 . 1 87 87 GLY N N 15 102.949249 0.03435521647 . 1 . . . . A 1837 GLY N . 34899 1 473 . 1 . 1 88 88 GLN H H 1 7.610600378 0.004622664426 . 1 . . . . A 1838 GLN H . 34899 1 474 . 1 . 1 88 88 GLN HA H 1 4.789232019 0.004242339691 . 1 . . . . A 1838 GLN HA . 34899 1 475 . 1 . 1 88 88 GLN HB2 H 1 2.036807117 0.005900449695 . 2 . . . . A 1838 GLN HB2 . 34899 1 476 . 1 . 1 88 88 GLN HB3 H 1 2.197310056 0.004136886683 . 2 . . . . A 1838 GLN HB3 . 34899 1 477 . 1 . 1 88 88 GLN CA C 13 56.81519827 0.03528983263 . 1 . . . . A 1838 GLN CA . 34899 1 478 . 1 . 1 88 88 GLN CB C 13 29.82061649 0.009305810977 . 1 . . . . A 1838 GLN CB . 34899 1 479 . 1 . 1 88 88 GLN N N 15 116.8432462 0.03422001993 . 1 . . . . A 1838 GLN N . 34899 1 480 . 1 . 1 89 89 THR H H 1 9.245817809 0.007565502674 . 1 . . . . A 1839 THR H . 34899 1 481 . 1 . 1 89 89 THR HA H 1 4.577304034 0.007701614226 . 1 . . . . A 1839 THR HA . 34899 1 482 . 1 . 1 89 89 THR HB H 1 4.033341742 0.004233518417 . 1 . . . . A 1839 THR HB . 34899 1 483 . 1 . 1 89 89 THR HG21 H 1 1.292960781 0.002137997809 . 1 . . . . A 1839 THR HG21 . 34899 1 484 . 1 . 1 89 89 THR HG22 H 1 1.292960781 0.002137997809 . 1 . . . . A 1839 THR HG22 . 34899 1 485 . 1 . 1 89 89 THR HG23 H 1 1.292960781 0.002137997809 . 1 . . . . A 1839 THR HG23 . 34899 1 486 . 1 . 1 89 89 THR CA C 13 62.99671659 0.06862189906 . 1 . . . . A 1839 THR CA . 34899 1 487 . 1 . 1 89 89 THR CB C 13 69.46134151 0.06519090095 . 1 . . . . A 1839 THR CB . 34899 1 488 . 1 . 1 89 89 THR CG2 C 13 21.46544708 0.01588662148 . 1 . . . . A 1839 THR CG2 . 34899 1 489 . 1 . 1 89 89 THR N N 15 121.3364034 0.04154692627 . 1 . . . . A 1839 THR N . 34899 1 490 . 1 . 1 90 90 VAL H H 1 8.515134802 0.005749766721 . 1 . . . . A 1840 VAL H . 34899 1 491 . 1 . 1 90 90 VAL HA H 1 4.76929211 0.007051705631 . 1 . . . . A 1840 VAL HA . 34899 1 492 . 1 . 1 90 90 VAL HB H 1 1.781397802 0.004434244605 . 1 . . . . A 1840 VAL HB . 34899 1 493 . 1 . 1 90 90 VAL HG11 H 1 0.501516907 0.00301761758 . 2 . . . . A 1840 VAL HG11 . 34899 1 494 . 1 . 1 90 90 VAL HG12 H 1 0.501516907 0.00301761758 . 2 . . . . A 1840 VAL HG12 . 34899 1 495 . 1 . 1 90 90 VAL HG13 H 1 0.501516907 0.00301761758 . 2 . . . . A 1840 VAL HG13 . 34899 1 496 . 1 . 1 90 90 VAL HG21 H 1 0.5741523913 0.003989614983 . 2 . . . . A 1840 VAL HG21 . 34899 1 497 . 1 . 1 90 90 VAL HG22 H 1 0.5741523913 0.003989614983 . 2 . . . . A 1840 VAL HG22 . 34899 1 498 . 1 . 1 90 90 VAL HG23 H 1 0.5741523913 0.003989614983 . 2 . . . . A 1840 VAL HG23 . 34899 1 499 . 1 . 1 90 90 VAL CA C 13 59.851809 0.02358490626 . 1 . . . . A 1840 VAL CA . 34899 1 500 . 1 . 1 90 90 VAL CB C 13 36.05100975 0.07203162314 . 1 . . . . A 1840 VAL CB . 34899 1 501 . 1 . 1 90 90 VAL CG1 C 13 19.88420606 0.04049623854 . 2 . . . . A 1840 VAL CG1 . 34899 1 502 . 1 . 1 90 90 VAL CG2 C 13 21.2218928 0.02339261804 . 2 . . . . A 1840 VAL CG2 . 34899 1 503 . 1 . 1 90 90 VAL N N 15 126.3019477 0.03072066088 . 1 . . . . A 1840 VAL N . 34899 1 504 . 1 . 1 91 91 VAL H H 1 8.22685096 0.005418992976 . 1 . . . . A 1841 VAL H . 34899 1 505 . 1 . 1 91 91 VAL HA H 1 4.228049044 0.005491487964 . 1 . . . . A 1841 VAL HA . 34899 1 506 . 1 . 1 91 91 VAL HB H 1 1.95439553 0.004127165918 . 1 . . . . A 1841 VAL HB . 34899 1 507 . 1 . 1 91 91 VAL HG11 H 1 0.9862506279 0.001388269896 . 2 . . . . A 1841 VAL HG11 . 34899 1 508 . 1 . 1 91 91 VAL HG12 H 1 0.9862506279 0.001388269896 . 2 . . . . A 1841 VAL HG12 . 34899 1 509 . 1 . 1 91 91 VAL HG13 H 1 0.9862506279 0.001388269896 . 2 . . . . A 1841 VAL HG13 . 34899 1 510 . 1 . 1 91 91 VAL HG21 H 1 1.043823971 0.003100977114 . 2 . . . . A 1841 VAL HG21 . 34899 1 511 . 1 . 1 91 91 VAL HG22 H 1 1.043823971 0.003100977114 . 2 . . . . A 1841 VAL HG22 . 34899 1 512 . 1 . 1 91 91 VAL HG23 H 1 1.043823971 0.003100977114 . 2 . . . . A 1841 VAL HG23 . 34899 1 513 . 1 . 1 91 91 VAL CA C 13 61.87892377 0.0720983961 . 1 . . . . A 1841 VAL CA . 34899 1 514 . 1 . 1 91 91 VAL CB C 13 34.62641887 0.01941673705 . 1 . . . . A 1841 VAL CB . 34899 1 515 . 1 . 1 91 91 VAL CG1 C 13 21.10599525 0.05938622252 . 2 . . . . A 1841 VAL CG1 . 34899 1 516 . 1 . 1 91 91 VAL CG2 C 13 21.36591636 0.03462048839 . 2 . . . . A 1841 VAL CG2 . 34899 1 517 . 1 . 1 91 91 VAL N N 15 124.3647486 0.05460790323 . 1 . . . . A 1841 VAL N . 34899 1 518 . 1 . 1 92 92 CYS H H 1 8.7394067 0.004907784395 . 1 . . . . A 1842 CYS H . 34899 1 519 . 1 . 1 92 92 CYS HA H 1 5.283141918 0.003405841131 . 1 . . . . A 1842 CYS HA . 34899 1 520 . 1 . 1 92 92 CYS HB2 H 1 2.54703745 0.006165109749 . 2 . . . . A 1842 CYS HB2 . 34899 1 521 . 1 . 1 92 92 CYS HB3 H 1 3.391236901 0.003672715425 . 2 . . . . A 1842 CYS HB3 . 34899 1 522 . 1 . 1 92 92 CYS CA C 13 55.339931 0.05412357744 . 1 . . . . A 1842 CYS CA . 34899 1 523 . 1 . 1 92 92 CYS CB C 13 43.4713356 0.03999142548 . 1 . . . . A 1842 CYS CB . 34899 1 524 . 1 . 1 92 92 CYS N N 15 127.2031841 0.02984573574 . 1 . . . . A 1842 CYS N . 34899 1 525 . 1 . 1 93 93 ASP H H 1 9.024016351 0.004858603232 . 1 . . . . A 1843 ASP H . 34899 1 526 . 1 . 1 93 93 ASP HA H 1 5.170809477 0.00398455807 . 1 . . . . A 1843 ASP HA . 34899 1 527 . 1 . 1 93 93 ASP HB2 H 1 2.592672116 0.005604926594 . 2 . . . . A 1843 ASP HB2 . 34899 1 528 . 1 . 1 93 93 ASP HB3 H 1 2.700351412 0.002245397898 . 2 . . . . A 1843 ASP HB3 . 34899 1 529 . 1 . 1 93 93 ASP CA C 13 54.04580234 0.03893890384 . 1 . . . . A 1843 ASP CA . 34899 1 530 . 1 . 1 93 93 ASP CB C 13 46.64983035 0.01193575168 . 1 . . . . A 1843 ASP CB . 34899 1 531 . 1 . 1 93 93 ASP N N 15 126.1435419 0.01753016917 . 1 . . . . A 1843 ASP N . 34899 1 532 . 1 . 1 94 94 VAL H H 1 8.907523258 0.003631749375 . 1 . . . . A 1844 VAL H . 34899 1 533 . 1 . 1 94 94 VAL HA H 1 3.768112108 0.003446439515 . 1 . . . . A 1844 VAL HA . 34899 1 534 . 1 . 1 94 94 VAL HB H 1 2.230175647 0.002424063011 . 1 . . . . A 1844 VAL HB . 34899 1 535 . 1 . 1 94 94 VAL HG11 H 1 0.9203865147 0.006361283282 . 2 . . . . A 1844 VAL HG11 . 34899 1 536 . 1 . 1 94 94 VAL HG12 H 1 0.9203865147 0.006361283282 . 2 . . . . A 1844 VAL HG12 . 34899 1 537 . 1 . 1 94 94 VAL HG13 H 1 0.9203865147 0.006361283282 . 2 . . . . A 1844 VAL HG13 . 34899 1 538 . 1 . 1 94 94 VAL HG21 H 1 0.9344155003 0.005129398606 . 2 . . . . A 1844 VAL HG21 . 34899 1 539 . 1 . 1 94 94 VAL HG22 H 1 0.9344155003 0.005129398606 . 2 . . . . A 1844 VAL HG22 . 34899 1 540 . 1 . 1 94 94 VAL HG23 H 1 0.9344155003 0.005129398606 . 2 . . . . A 1844 VAL HG23 . 34899 1 541 . 1 . 1 94 94 VAL CA C 13 64.50347018 0.03440604957 . 1 . . . . A 1844 VAL CA . 34899 1 542 . 1 . 1 94 94 VAL CB C 13 32.24778129 0.05615365952 . 1 . . . . A 1844 VAL CB . 34899 1 543 . 1 . 1 94 94 VAL CG1 C 13 20.51364035 0.01232291082 . 2 . . . . A 1844 VAL CG1 . 34899 1 544 . 1 . 1 94 94 VAL CG2 C 13 20.86735315 0.04404674092 . 2 . . . . A 1844 VAL CG2 . 34899 1 545 . 1 . 1 94 94 VAL N N 15 126.2027324 0.02537666759 . 1 . . . . A 1844 VAL N . 34899 1 546 . 1 . 1 95 95 SER H H 1 8.909315149 0.003365475052 . 1 . . . . A 1845 SER H . 34899 1 547 . 1 . 1 95 95 SER HA H 1 4.413983747 0.002448072494 . 1 . . . . A 1845 SER HA . 34899 1 548 . 1 . 1 95 95 SER HB2 H 1 4.009865521 0.002055116161 . 2 . . . . A 1845 SER HB2 . 34899 1 549 . 1 . 1 95 95 SER CA C 13 60.28028142 0.05581778835 . 1 . . . . A 1845 SER CA . 34899 1 550 . 1 . 1 95 95 SER CB C 13 64.18963725 0.01662014382 . 1 . . . . A 1845 SER CB . 34899 1 551 . 1 . 1 95 95 SER N N 15 115.4375237 0.03046083963 . 1 . . . . A 1845 SER N . 34899 1 552 . 1 . 1 96 96 VAL H H 1 7.952096013 0.003165977399 . 1 . . . . A 1846 VAL H . 34899 1 553 . 1 . 1 96 96 VAL HA H 1 4.532055378 0.004319559881 . 1 . . . . A 1846 VAL HA . 34899 1 554 . 1 . 1 96 96 VAL HB H 1 1.998842362 0.004517647746 . 1 . . . . A 1846 VAL HB . 34899 1 555 . 1 . 1 96 96 VAL HG11 H 1 0.9034241769 0.0009965806033 . 2 . . . . A 1846 VAL HG11 . 34899 1 556 . 1 . 1 96 96 VAL HG12 H 1 0.9034241769 0.0009965806033 . 2 . . . . A 1846 VAL HG12 . 34899 1 557 . 1 . 1 96 96 VAL HG13 H 1 0.9034241769 0.0009965806033 . 2 . . . . A 1846 VAL HG13 . 34899 1 558 . 1 . 1 96 96 VAL HG21 H 1 0.9222735857 0.003792322842 . 2 . . . . A 1846 VAL HG21 . 34899 1 559 . 1 . 1 96 96 VAL HG22 H 1 0.9222735857 0.003792322842 . 2 . . . . A 1846 VAL HG22 . 34899 1 560 . 1 . 1 96 96 VAL HG23 H 1 0.9222735857 0.003792322842 . 2 . . . . A 1846 VAL HG23 . 34899 1 561 . 1 . 1 96 96 VAL CA C 13 63.75859694 0.01323864142 . 1 . . . . A 1846 VAL CA . 34899 1 562 . 1 . 1 96 96 VAL CB C 13 35.68254638 0.0334182101 . 1 . . . . A 1846 VAL CB . 34899 1 563 . 1 . 1 96 96 VAL CG1 C 13 19.81689322 0.07201645332 . 2 . . . . A 1846 VAL CG1 . 34899 1 564 . 1 . 1 96 96 VAL CG2 C 13 20.87369184 0.04021476475 . 2 . . . . A 1846 VAL CG2 . 34899 1 565 . 1 . 1 96 96 VAL N N 15 117.0883348 0.04295558598 . 1 . . . . A 1846 VAL N . 34899 1 566 . 1 . 1 97 97 GLY H H 1 8.678845988 0.003976532751 . 1 . . . . A 1847 GLY H . 34899 1 567 . 1 . 1 97 97 GLY HA2 H 1 3.339511691 0.003165738641 . 2 . . . . A 1847 GLY HA2 . 34899 1 568 . 1 . 1 97 97 GLY HA3 H 1 5.202411207 0.006298664782 . 2 . . . . A 1847 GLY HA3 . 34899 1 569 . 1 . 1 97 97 GLY CA C 13 44.74315947 0.05575190827 . 1 . . . . A 1847 GLY CA . 34899 1 570 . 1 . 1 97 97 GLY N N 15 113.8708934 0.01948492874 . 1 . . . . A 1847 GLY N . 34899 1 571 . 1 . 1 98 98 LEU H H 1 9.14414803 0.003694921708 . 1 . . . . A 1848 LEU H . 34899 1 572 . 1 . 1 98 98 LEU HA H 1 5.845618471 0.003226075055 . 1 . . . . A 1848 LEU HA . 34899 1 573 . 1 . 1 98 98 LEU HB2 H 1 1.452769834 0.004641370088 . 2 . . . . A 1848 LEU HB2 . 34899 1 574 . 1 . 1 98 98 LEU HB3 H 1 2.006605826 0.006135905082 . 2 . . . . A 1848 LEU HB3 . 34899 1 575 . 1 . 1 98 98 LEU HG H 1 1.673139286 0.004528271861 . 1 . . . . A 1848 LEU HG . 34899 1 576 . 1 . 1 98 98 LEU HD11 H 1 0.5910058219 0.003458746642 . 2 . . . . A 1848 LEU HD11 . 34899 1 577 . 1 . 1 98 98 LEU HD12 H 1 0.5910058219 0.003458746642 . 2 . . . . A 1848 LEU HD12 . 34899 1 578 . 1 . 1 98 98 LEU HD13 H 1 0.5910058219 0.003458746642 . 2 . . . . A 1848 LEU HD13 . 34899 1 579 . 1 . 1 98 98 LEU HD21 H 1 0.6240342142 0.004696683447 . 2 . . . . A 1848 LEU HD21 . 34899 1 580 . 1 . 1 98 98 LEU HD22 H 1 0.6240342142 0.004696683447 . 2 . . . . A 1848 LEU HD22 . 34899 1 581 . 1 . 1 98 98 LEU HD23 H 1 0.6240342142 0.004696683447 . 2 . . . . A 1848 LEU HD23 . 34899 1 582 . 1 . 1 98 98 LEU CA C 13 52.24545391 0.03340398203 . 1 . . . . A 1848 LEU CA . 34899 1 583 . 1 . 1 98 98 LEU CB C 13 44.66424569 0.06158066203 . 1 . . . . A 1848 LEU CB . 34899 1 584 . 1 . 1 98 98 LEU CG C 13 27.51805593 0.07520264789 . 1 . . . . A 1848 LEU CG . 34899 1 585 . 1 . 1 98 98 LEU CD1 C 13 23.69998171 0.03671713558 . 2 . . . . A 1848 LEU CD1 . 34899 1 586 . 1 . 1 98 98 LEU CD2 C 13 26.6384064 0.03997397385 . 2 . . . . A 1848 LEU CD2 . 34899 1 587 . 1 . 1 98 98 LEU N N 15 126.8029821 0.04308801984 . 1 . . . . A 1848 LEU N . 34899 1 588 . 1 . 1 99 99 ILE H H 1 8.462234373 0.006000351967 . 1 . . . . A 1849 ILE H . 34899 1 589 . 1 . 1 99 99 ILE HA H 1 4.504920562 0.003232657373 . 1 . . . . A 1849 ILE HA . 34899 1 590 . 1 . 1 99 99 ILE HB H 1 1.677331811 0.003523125461 . 1 . . . . A 1849 ILE HB . 34899 1 591 . 1 . 1 99 99 ILE HG12 H 1 1.120671346 0.00504053735 . 2 . . . . A 1849 ILE HG12 . 34899 1 592 . 1 . 1 99 99 ILE HG13 H 1 1.457413207 0.006504179135 . 2 . . . . A 1849 ILE HG13 . 34899 1 593 . 1 . 1 99 99 ILE HG21 H 1 0.8934446883 0.002725378002 . 1 . . . . A 1849 ILE HG21 . 34899 1 594 . 1 . 1 99 99 ILE HG22 H 1 0.8934446883 0.002725378002 . 1 . . . . A 1849 ILE HG22 . 34899 1 595 . 1 . 1 99 99 ILE HG23 H 1 0.8934446883 0.002725378002 . 1 . . . . A 1849 ILE HG23 . 34899 1 596 . 1 . 1 99 99 ILE HD11 H 1 0.8537107735 0.002397801207 . 1 . . . . A 1849 ILE HD11 . 34899 1 597 . 1 . 1 99 99 ILE HD12 H 1 0.8537107735 0.002397801207 . 1 . . . . A 1849 ILE HD12 . 34899 1 598 . 1 . 1 99 99 ILE HD13 H 1 0.8537107735 0.002397801207 . 1 . . . . A 1849 ILE HD13 . 34899 1 599 . 1 . 1 99 99 ILE CA C 13 61.41139669 0.06488919006 . 1 . . . . A 1849 ILE CA . 34899 1 600 . 1 . 1 99 99 ILE CB C 13 42.06440428 0.03237535344 . 1 . . . . A 1849 ILE CB . 34899 1 601 . 1 . 1 99 99 ILE CG1 C 13 27.37066382 0.08757942558 . 1 . . . . A 1849 ILE CG1 . 34899 1 602 . 1 . 1 99 99 ILE CG2 C 13 17.93216927 0.03863429825 . 1 . . . . A 1849 ILE CG2 . 34899 1 603 . 1 . 1 99 99 ILE CD1 C 13 13.41782732 0.02943730387 . 1 . . . . A 1849 ILE CD1 . 34899 1 604 . 1 . 1 99 99 ILE N N 15 124.2418265 0.03517204031 . 1 . . . . A 1849 ILE N . 34899 1 605 . 1 . 1 100 100 CYS H H 1 9.124764965 0.005353281156 . 1 . . . . A 1850 CYS H . 34899 1 606 . 1 . 1 100 100 CYS HA H 1 4.888464681 0.002618294944 . 1 . . . . A 1850 CYS HA . 34899 1 607 . 1 . 1 100 100 CYS HB2 H 1 2.773157365 0.006201360173 . 2 . . . . A 1850 CYS HB2 . 34899 1 608 . 1 . 1 100 100 CYS HB3 H 1 3.20608275 0.007073700651 . 2 . . . . A 1850 CYS HB3 . 34899 1 609 . 1 . 1 100 100 CYS CA C 13 56.91371711 0.02943081243 . 1 . . . . A 1850 CYS CA . 34899 1 610 . 1 . 1 100 100 CYS CB C 13 42.80001572 0.04436094057 . 1 . . . . A 1850 CYS CB . 34899 1 611 . 1 . 1 100 100 CYS N N 15 129.9295056 0.04116299585 . 1 . . . . A 1850 CYS N . 34899 1 612 . 1 . 1 101 101 LYS H H 1 10.14495131 0.004726080378 . 1 . . . . A 1851 LYS H . 34899 1 613 . 1 . 1 101 101 LYS HA H 1 5.192750778 0.003108698006 . 1 . . . . A 1851 LYS HA . 34899 1 614 . 1 . 1 101 101 LYS HB2 H 1 1.915386319 0 . 2 . . . . A 1851 LYS HB2 . 34899 1 615 . 1 . 1 101 101 LYS HG2 H 1 1.430201087 0.002005365321 . 2 . . . . A 1851 LYS HG2 . 34899 1 616 . 1 . 1 101 101 LYS CA C 13 55.29466611 0 . 1 . . . . A 1851 LYS CA . 34899 1 617 . 1 . 1 101 101 LYS N N 15 132.2909565 0.02732773215 . 1 . . . . A 1851 LYS N . 34899 1 618 . 1 . 1 102 102 ASN H H 1 9.900309373 0.002410055065 . 1 . . . . A 1852 ASN H . 34899 1 619 . 1 . 1 102 102 ASN N N 15 130.4264086 0.02661926871 . 1 . . . . A 1852 ASN N . 34899 1 620 . 1 . 1 109 109 GLY CA C 13 45.0032727 0.0151485309 . 1 . . . . A 1859 GLY CA . 34899 1 621 . 1 . 1 110 110 VAL H H 1 8.1132047 0.00421457432 . 1 . . . . A 1860 VAL H . 34899 1 622 . 1 . 1 110 110 VAL HA H 1 3.932943943 0.005027545266 . 1 . . . . A 1860 VAL HA . 34899 1 623 . 1 . 1 110 110 VAL HB H 1 2.149741265 0.00611586145 . 1 . . . . A 1860 VAL HB . 34899 1 624 . 1 . 1 110 110 VAL HG11 H 1 0.979088138 0.00373212064 . 2 . . . . A 1860 VAL HG11 . 34899 1 625 . 1 . 1 110 110 VAL HG12 H 1 0.979088138 0.00373212064 . 2 . . . . A 1860 VAL HG12 . 34899 1 626 . 1 . 1 110 110 VAL HG13 H 1 0.979088138 0.00373212064 . 2 . . . . A 1860 VAL HG13 . 34899 1 627 . 1 . 1 110 110 VAL HG21 H 1 1.000145187 0.003656454748 . 2 . . . . A 1860 VAL HG21 . 34899 1 628 . 1 . 1 110 110 VAL HG22 H 1 1.000145187 0.003656454748 . 2 . . . . A 1860 VAL HG22 . 34899 1 629 . 1 . 1 110 110 VAL HG23 H 1 1.000145187 0.003656454748 . 2 . . . . A 1860 VAL HG23 . 34899 1 630 . 1 . 1 110 110 VAL CA C 13 64.82169907 0.02351287615 . 1 . . . . A 1860 VAL CA . 34899 1 631 . 1 . 1 110 110 VAL CB C 13 32.03271339 0.04439369366 . 1 . . . . A 1860 VAL CB . 34899 1 632 . 1 . 1 110 110 VAL CG1 C 13 21.23987135 0.01571926017 . 2 . . . . A 1860 VAL CG1 . 34899 1 633 . 1 . 1 110 110 VAL CG2 C 13 21.24103961 0.003439872573 . 2 . . . . A 1860 VAL CG2 . 34899 1 634 . 1 . 1 110 110 VAL N N 15 120.4703539 0.03853597213 . 1 . . . . A 1860 VAL N . 34899 1 635 . 1 . 1 111 111 ILE H H 1 7.963445601 0.003068778144 . 1 . . . . A 1861 ILE H . 34899 1 636 . 1 . 1 111 111 ILE HA H 1 4.761667713 0.004263750233 . 1 . . . . A 1861 ILE HA . 34899 1 637 . 1 . 1 111 111 ILE HB H 1 2.252631036 0.004425653095 . 1 . . . . A 1861 ILE HB . 34899 1 638 . 1 . 1 111 111 ILE HG12 H 1 1.493511345 0.006739193735 . 2 . . . . A 1861 ILE HG12 . 34899 1 639 . 1 . 1 111 111 ILE HG13 H 1 1.533669225 0 . 2 . . . . A 1861 ILE HG13 . 34899 1 640 . 1 . 1 111 111 ILE HG21 H 1 1.084342837 0.004016841768 . 1 . . . . A 1861 ILE HG21 . 34899 1 641 . 1 . 1 111 111 ILE HG22 H 1 1.084342837 0.004016841768 . 1 . . . . A 1861 ILE HG22 . 34899 1 642 . 1 . 1 111 111 ILE HG23 H 1 1.084342837 0.004016841768 . 1 . . . . A 1861 ILE HG23 . 34899 1 643 . 1 . 1 111 111 ILE HD11 H 1 0.8240859603 0.003650423182 . 1 . . . . A 1861 ILE HD11 . 34899 1 644 . 1 . 1 111 111 ILE HD12 H 1 0.8240859603 0.003650423182 . 1 . . . . A 1861 ILE HD12 . 34899 1 645 . 1 . 1 111 111 ILE HD13 H 1 0.8240859603 0.003650423182 . 1 . . . . A 1861 ILE HD13 . 34899 1 646 . 1 . 1 111 111 ILE CA C 13 56.89261382 0.02941779821 . 1 . . . . A 1861 ILE CA . 34899 1 647 . 1 . 1 111 111 ILE CB C 13 37.76867802 0.03291546608 . 1 . . . . A 1861 ILE CB . 34899 1 648 . 1 . 1 111 111 ILE CG1 C 13 26.70413954 0.03567608556 . 1 . . . . A 1861 ILE CG1 . 34899 1 649 . 1 . 1 111 111 ILE CG2 C 13 18.17096446 0.03747744054 . 1 . . . . A 1861 ILE CG2 . 34899 1 650 . 1 . 1 111 111 ILE CD1 C 13 12.13852547 0.04278563112 . 1 . . . . A 1861 ILE CD1 . 34899 1 651 . 1 . 1 111 111 ILE N N 15 119.49617 0.01990819063 . 1 . . . . A 1861 ILE N . 34899 1 652 . 1 . 1 113 113 MET HE1 H 1 2.056631118 0.005585481741 . 1 . . . . A 1863 MET HE1 . 34899 1 653 . 1 . 1 113 113 MET HE2 H 1 2.056631118 0.005585481741 . 1 . . . . A 1863 MET HE2 . 34899 1 654 . 1 . 1 113 113 MET HE3 H 1 2.056631118 0.005585481741 . 1 . . . . A 1863 MET HE3 . 34899 1 655 . 1 . 1 113 113 MET CE C 13 17.54544205 0.01657246682 . 1 . . . . A 1863 MET CE . 34899 1 656 . 1 . 1 114 114 ALA HA H 1 4.224798065 0.0042043857 . 1 . . . . A 1864 ALA HA . 34899 1 657 . 1 . 1 114 114 ALA HB1 H 1 1.083794138 0.003256116307 . 1 . . . . A 1864 ALA HB1 . 34899 1 658 . 1 . 1 114 114 ALA HB2 H 1 1.083794138 0.003256116307 . 1 . . . . A 1864 ALA HB2 . 34899 1 659 . 1 . 1 114 114 ALA HB3 H 1 1.083794138 0.003256116307 . 1 . . . . A 1864 ALA HB3 . 34899 1 660 . 1 . 1 114 114 ALA CA C 13 50.79665392 0.03909368032 . 1 . . . . A 1864 ALA CA . 34899 1 661 . 1 . 1 114 114 ALA CB C 13 17.68906222 0.0784607285 . 1 . . . . A 1864 ALA CB . 34899 1 662 . 1 . 1 115 115 PHE H H 1 7.201692751 0.004409374126 . 1 . . . . A 1865 PHE H . 34899 1 663 . 1 . 1 115 115 PHE HA H 1 4.540688707 0.004011886444 . 1 . . . . A 1865 PHE HA . 34899 1 664 . 1 . 1 115 115 PHE HB2 H 1 2.741541038 0.003487481883 . 2 . . . . A 1865 PHE HB2 . 34899 1 665 . 1 . 1 115 115 PHE HB3 H 1 3.167811408 0.003750480202 . 2 . . . . A 1865 PHE HB3 . 34899 1 666 . 1 . 1 115 115 PHE HD1 H 1 7.076519344 0.001745242051 . 3 . . . . A 1865 PHE HD1 . 34899 1 667 . 1 . 1 115 115 PHE HD2 H 1 7.076519344 0.001745242051 . 3 . . . . A 1865 PHE HD2 . 34899 1 668 . 1 . 1 115 115 PHE HE1 H 1 7.232652838 0.002421567767 . 3 . . . . A 1865 PHE HE1 . 34899 1 669 . 1 . 1 115 115 PHE HE2 H 1 7.232652838 0.002421567767 . 3 . . . . A 1865 PHE HE2 . 34899 1 670 . 1 . 1 115 115 PHE CA C 13 56.28099101 0.02018073756 . 1 . . . . A 1865 PHE CA . 34899 1 671 . 1 . 1 115 115 PHE CB C 13 42.62374749 0.03737125998 . 1 . . . . A 1865 PHE CB . 34899 1 672 . 1 . 1 115 115 PHE N N 15 114.4772879 0.02754922158 . 1 . . . . A 1865 PHE N . 34899 1 673 . 1 . 1 116 116 CYS H H 1 8.8955314 0.003651879115 . 1 . . . . A 1866 CYS H . 34899 1 674 . 1 . 1 116 116 CYS HA H 1 4.600645342 0.001244035324 . 1 . . . . A 1866 CYS HA . 34899 1 675 . 1 . 1 116 116 CYS HB2 H 1 3.180621978 0.003818850811 . 2 . . . . A 1866 CYS HB2 . 34899 1 676 . 1 . 1 116 116 CYS HB3 H 1 3.684738231 0.003349336909 . 2 . . . . A 1866 CYS HB3 . 34899 1 677 . 1 . 1 116 116 CYS CA C 13 60.99395643 0.01027485402 . 1 . . . . A 1866 CYS CA . 34899 1 678 . 1 . 1 116 116 CYS CB C 13 45.3106254 0.02256411321 . 1 . . . . A 1866 CYS CB . 34899 1 679 . 1 . 1 116 116 CYS N N 15 119.0209935 0.03203267552 . 1 . . . . A 1866 CYS N . 34899 1 680 . 1 . 1 117 117 LEU H H 1 8.222598438 0.00622021467 . 1 . . . . A 1867 LEU H . 34899 1 681 . 1 . 1 117 117 LEU HA H 1 4.205711997 0.01123424102 . 1 . . . . A 1867 LEU HA . 34899 1 682 . 1 . 1 117 117 LEU HB2 H 1 1.160105628 0.002186915613 . 2 . . . . A 1867 LEU HB2 . 34899 1 683 . 1 . 1 117 117 LEU HB3 H 1 1.416251547 0.005642645567 . 2 . . . . A 1867 LEU HB3 . 34899 1 684 . 1 . 1 117 117 LEU HG H 1 1.653946804 0.007899431861 . 1 . . . . A 1867 LEU HG . 34899 1 685 . 1 . 1 117 117 LEU HD11 H 1 0.9410507272 0.006016904795 . 2 . . . . A 1867 LEU HD11 . 34899 1 686 . 1 . 1 117 117 LEU HD12 H 1 0.9410507272 0.006016904795 . 2 . . . . A 1867 LEU HD12 . 34899 1 687 . 1 . 1 117 117 LEU HD13 H 1 0.9410507272 0.006016904795 . 2 . . . . A 1867 LEU HD13 . 34899 1 688 . 1 . 1 117 117 LEU HD21 H 1 1.096718995 0.005029036103 . 2 . . . . A 1867 LEU HD21 . 34899 1 689 . 1 . 1 117 117 LEU HD22 H 1 1.096718995 0.005029036103 . 2 . . . . A 1867 LEU HD22 . 34899 1 690 . 1 . 1 117 117 LEU HD23 H 1 1.096718995 0.005029036103 . 2 . . . . A 1867 LEU HD23 . 34899 1 691 . 1 . 1 117 117 LEU CA C 13 54.72341218 0.03837644006 . 1 . . . . A 1867 LEU CA . 34899 1 692 . 1 . 1 117 117 LEU CB C 13 42.31863035 0.05326289956 . 1 . . . . A 1867 LEU CB . 34899 1 693 . 1 . 1 117 117 LEU CG C 13 27.57606409 0.04150223963 . 1 . . . . A 1867 LEU CG . 34899 1 694 . 1 . 1 117 117 LEU CD1 C 13 23.3956079 0.03844166355 . 2 . . . . A 1867 LEU CD1 . 34899 1 695 . 1 . 1 117 117 LEU CD2 C 13 27.01413082 0.05719888404 . 2 . . . . A 1867 LEU CD2 . 34899 1 696 . 1 . 1 117 117 LEU N N 15 122.1498836 0.05141469392 . 1 . . . . A 1867 LEU N . 34899 1 697 . 1 . 1 118 118 ASN H H 1 7.580673446 0 . 1 . . . . A 1868 ASN H . 34899 1 698 . 1 . 1 118 118 ASN HA H 1 4.780158946 0.003893240504 . 1 . . . . A 1868 ASN HA . 34899 1 699 . 1 . 1 118 118 ASN CA C 13 53.97015279 0 . 1 . . . . A 1868 ASN CA . 34899 1 700 . 1 . 1 118 118 ASN CB C 13 39.85769322 0 . 1 . . . . A 1868 ASN CB . 34899 1 701 . 1 . 1 119 119 TYR H H 1 9.674484298 0.008080671674 . 1 . . . . A 1869 TYR H . 34899 1 702 . 1 . 1 119 119 TYR HA H 1 5.433524992 0.005343268087 . 1 . . . . A 1869 TYR HA . 34899 1 703 . 1 . 1 119 119 TYR HB2 H 1 2.862670009 0.005642901519 . 2 . . . . A 1869 TYR HB2 . 34899 1 704 . 1 . 1 119 119 TYR HB3 H 1 3.095870941 0.0090709074 . 2 . . . . A 1869 TYR HB3 . 34899 1 705 . 1 . 1 119 119 TYR HD1 H 1 6.985185523 0.001489379892 . 3 . . . . A 1869 TYR HD1 . 34899 1 706 . 1 . 1 119 119 TYR HD2 H 1 6.985185523 0.001489379892 . 3 . . . . A 1869 TYR HD2 . 34899 1 707 . 1 . 1 119 119 TYR HE1 H 1 6.743026364 0.000050 . 3 . . . . A 1869 TYR HE1 . 34899 1 708 . 1 . 1 119 119 TYR HE2 H 1 6.743026364 0.000050 . 3 . . . . A 1869 TYR HE2 . 34899 1 709 . 1 . 1 119 119 TYR CA C 13 57.73501144 0.03263741806 . 1 . . . . A 1869 TYR CA . 34899 1 710 . 1 . 1 119 119 TYR CB C 13 43.62200704 0.1159796006 . 1 . . . . A 1869 TYR CB . 34899 1 711 . 1 . 1 119 119 TYR N N 15 127.7706218 0.03544440498 . 1 . . . . A 1869 TYR N . 34899 1 712 . 1 . 1 120 120 GLU H H 1 9.304962962 0.004768357138 . 1 . . . . A 1870 GLU H . 34899 1 713 . 1 . 1 120 120 GLU HA H 1 5.335941622 0.002917935319 . 1 . . . . A 1870 GLU HA . 34899 1 714 . 1 . 1 120 120 GLU HB2 H 1 2.020732526 0.006917236263 . 2 . . . . A 1870 GLU HB2 . 34899 1 715 . 1 . 1 120 120 GLU HB3 H 1 2.197199744 0.00412810874 . 2 . . . . A 1870 GLU HB3 . 34899 1 716 . 1 . 1 120 120 GLU CA C 13 54.32212964 0.05047099918 . 1 . . . . A 1870 GLU CA . 34899 1 717 . 1 . 1 120 120 GLU CB C 13 33.92524796 0.05935049495 . 1 . . . . A 1870 GLU CB . 34899 1 718 . 1 . 1 120 120 GLU N N 15 119.4266016 0.021049712 . 1 . . . . A 1870 GLU N . 34899 1 719 . 1 . 1 121 121 ILE H H 1 8.98504972 0.005127990601 . 1 . . . . A 1871 ILE H . 34899 1 720 . 1 . 1 121 121 ILE HA H 1 5.95972289 0.003162617138 . 1 . . . . A 1871 ILE HA . 34899 1 721 . 1 . 1 121 121 ILE HB H 1 1.838235488 0.00399103959 . 1 . . . . A 1871 ILE HB . 34899 1 722 . 1 . 1 121 121 ILE HG12 H 1 1.188581165 0.008903645502 . 2 . . . . A 1871 ILE HG12 . 34899 1 723 . 1 . 1 121 121 ILE HG13 H 1 1.655543761 0.002908438345 . 2 . . . . A 1871 ILE HG13 . 34899 1 724 . 1 . 1 121 121 ILE HG21 H 1 1.023944525 0.002327872121 . 1 . . . . A 1871 ILE HG21 . 34899 1 725 . 1 . 1 121 121 ILE HG22 H 1 1.023944525 0.002327872121 . 1 . . . . A 1871 ILE HG22 . 34899 1 726 . 1 . 1 121 121 ILE HG23 H 1 1.023944525 0.002327872121 . 1 . . . . A 1871 ILE HG23 . 34899 1 727 . 1 . 1 121 121 ILE HD11 H 1 0.7547921952 0.01511236538 . 1 . . . . A 1871 ILE HD11 . 34899 1 728 . 1 . 1 121 121 ILE HD12 H 1 0.7547921952 0.01511236538 . 1 . . . . A 1871 ILE HD12 . 34899 1 729 . 1 . 1 121 121 ILE HD13 H 1 0.7547921952 0.01511236538 . 1 . . . . A 1871 ILE HD13 . 34899 1 730 . 1 . 1 121 121 ILE CA C 13 59.74257694 0.07742618442 . 1 . . . . A 1871 ILE CA . 34899 1 731 . 1 . 1 121 121 ILE CB C 13 43.40114574 0.06859827244 . 1 . . . . A 1871 ILE CB . 34899 1 732 . 1 . 1 121 121 ILE CG1 C 13 25.5803595 0.009042845505 . 1 . . . . A 1871 ILE CG1 . 34899 1 733 . 1 . 1 121 121 ILE CG2 C 13 20.65704906 0.05481915048 . 1 . . . . A 1871 ILE CG2 . 34899 1 734 . 1 . 1 121 121 ILE CD1 C 13 13.31388341 0.02059437499 . 1 . . . . A 1871 ILE CD1 . 34899 1 735 . 1 . 1 121 121 ILE N N 15 111.5441986 0.06982314659 . 1 . . . . A 1871 ILE N . 34899 1 736 . 1 . 1 122 122 ASN H H 1 8.777673474 0.005280959667 . 1 . . . . A 1872 ASN H . 34899 1 737 . 1 . 1 122 122 ASN HA H 1 4.632658041 0.004945743092 . 1 . . . . A 1872 ASN HA . 34899 1 738 . 1 . 1 122 122 ASN HB2 H 1 -0.03387586921 0.007162510802 . 2 . . . . A 1872 ASN HB2 . 34899 1 739 . 1 . 1 122 122 ASN HB3 H 1 1.675025024 0.005617960485 . 2 . . . . A 1872 ASN HB3 . 34899 1 740 . 1 . 1 122 122 ASN CA C 13 51.72336478 0.006433889827 . 1 . . . . A 1872 ASN CA . 34899 1 741 . 1 . 1 122 122 ASN CB C 13 38.18312021 0.04042465843 . 1 . . . . A 1872 ASN CB . 34899 1 742 . 1 . 1 122 122 ASN N N 15 122.4926606 0.0289885838 . 1 . . . . A 1872 ASN N . 34899 1 743 . 1 . 1 123 123 VAL H H 1 8.690083395 0.004991793382 . 1 . . . . A 1873 VAL H . 34899 1 744 . 1 . 1 123 123 VAL HA H 1 4.434167152 0.003943131426 . 1 . . . . A 1873 VAL HA . 34899 1 745 . 1 . 1 123 123 VAL HB H 1 2.110699104 0.007797738758 . 1 . . . . A 1873 VAL HB . 34899 1 746 . 1 . 1 123 123 VAL HG11 H 1 0.8929750208 0.01921269771 . 2 . . . . A 1873 VAL HG11 . 34899 1 747 . 1 . 1 123 123 VAL HG12 H 1 0.8929750208 0.01921269771 . 2 . . . . A 1873 VAL HG12 . 34899 1 748 . 1 . 1 123 123 VAL HG13 H 1 0.8929750208 0.01921269771 . 2 . . . . A 1873 VAL HG13 . 34899 1 749 . 1 . 1 123 123 VAL HG21 H 1 0.9147760292 0.006595430051 . 2 . . . . A 1873 VAL HG21 . 34899 1 750 . 1 . 1 123 123 VAL HG22 H 1 0.9147760292 0.006595430051 . 2 . . . . A 1873 VAL HG22 . 34899 1 751 . 1 . 1 123 123 VAL HG23 H 1 0.9147760292 0.006595430051 . 2 . . . . A 1873 VAL HG23 . 34899 1 752 . 1 . 1 123 123 VAL CA C 13 61.67059276 0.04199571563 . 1 . . . . A 1873 VAL CA . 34899 1 753 . 1 . 1 123 123 VAL CB C 13 34.36723106 0.02900767121 . 1 . . . . A 1873 VAL CB . 34899 1 754 . 1 . 1 123 123 VAL CG1 C 13 22.53754256 0.02806720063 . 2 . . . . A 1873 VAL CG1 . 34899 1 755 . 1 . 1 123 123 VAL CG2 C 13 22.66775638 0.05175903322 . 2 . . . . A 1873 VAL CG2 . 34899 1 756 . 1 . 1 123 123 VAL N N 15 126.9803004 0.0198870621 . 1 . . . . A 1873 VAL N . 34899 1 757 . 1 . 1 124 124 GLN H H 1 7.862986269 0.006079156611 . 1 . . . . A 1874 GLN H . 34899 1 758 . 1 . 1 124 124 GLN HA H 1 3.780053832 0.007454621893 . 1 . . . . A 1874 GLN HA . 34899 1 759 . 1 . 1 124 124 GLN HB2 H 1 -1.313912966 0.006381688736 . 2 . . . . A 1874 GLN HB2 . 34899 1 760 . 1 . 1 124 124 GLN HB3 H 1 1.349658829 0.003049929661 . 2 . . . . A 1874 GLN HB3 . 34899 1 761 . 1 . 1 124 124 GLN HG2 H 1 0.4767242991 0.003397753937 . 2 . . . . A 1874 GLN HG2 . 34899 1 762 . 1 . 1 124 124 GLN HG3 H 1 1.208196775 0.004306962031 . 2 . . . . A 1874 GLN HG3 . 34899 1 763 . 1 . 1 124 124 GLN HE21 H 1 6.501299158 0 . 2 . . . . A 1874 GLN HE21 . 34899 1 764 . 1 . 1 124 124 GLN HE22 H 1 6.642388007 0 . 2 . . . . A 1874 GLN HE22 . 34899 1 765 . 1 . 1 124 124 GLN CA C 13 53.92411176 0.04048418173 . 1 . . . . A 1874 GLN CA . 34899 1 766 . 1 . 1 124 124 GLN CB C 13 27.40960965 0.0848933416 . 1 . . . . A 1874 GLN CB . 34899 1 767 . 1 . 1 124 124 GLN N N 15 129.1947858 0.0445632377 . 1 . . . . A 1874 GLN N . 34899 1 768 . 1 . 1 125 125 CYS H H 1 8.359197236 0.005678375413 . 1 . . . . A 1875 CYS H . 34899 1 769 . 1 . 1 125 125 CYS HA H 1 5.233461902 0.005077190576 . 1 . . . . A 1875 CYS HA . 34899 1 770 . 1 . 1 125 125 CYS HB2 H 1 2.649323467 0.004977706143 . 2 . . . . A 1875 CYS HB2 . 34899 1 771 . 1 . 1 125 125 CYS HB3 H 1 2.854923548 0.006093426643 . 2 . . . . A 1875 CYS HB3 . 34899 1 772 . 1 . 1 125 125 CYS CA C 13 52.06253485 0.03905029234 . 1 . . . . A 1875 CYS CA . 34899 1 773 . 1 . 1 125 125 CYS CB C 13 37.73642967 0.05084260209 . 1 . . . . A 1875 CYS CB . 34899 1 774 . 1 . 1 125 125 CYS N N 15 127.9417966 0.04360002295 . 1 . . . . A 1875 CYS N . 34899 1 775 . 1 . 1 126 126 CYS H H 1 8.840324311 0.004470840238 . 1 . . . . A 1876 CYS H . 34899 1 776 . 1 . 1 126 126 CYS HA H 1 5.181258537 0.004098275147 . 1 . . . . A 1876 CYS HA . 34899 1 777 . 1 . 1 126 126 CYS HB2 H 1 0.9162495226 0.009310402826 . 2 . . . . A 1876 CYS HB2 . 34899 1 778 . 1 . 1 126 126 CYS HB3 H 1 1.85869022 0.009899980607 . 2 . . . . A 1876 CYS HB3 . 34899 1 779 . 1 . 1 126 126 CYS CA C 13 54.62671674 0.04621634329 . 1 . . . . A 1876 CYS CA . 34899 1 780 . 1 . 1 126 126 CYS CB C 13 47.41796837 0.03385321868 . 1 . . . . A 1876 CYS CB . 34899 1 781 . 1 . 1 126 126 CYS N N 15 121.2987484 0.06231261807 . 1 . . . . A 1876 CYS N . 34899 1 782 . 1 . 1 127 127 GLU H H 1 8.104016482 0.006055118008 . 1 . . . . A 1877 GLU H . 34899 1 783 . 1 . 1 127 127 GLU HA H 1 4.545946722 0.002026530605 . 1 . . . . A 1877 GLU HA . 34899 1 784 . 1 . 1 127 127 GLU HB2 H 1 1.879614145 0.00288544588 . 2 . . . . A 1877 GLU HB2 . 34899 1 785 . 1 . 1 127 127 GLU HB3 H 1 1.951608667 0.0002697798374 . 2 . . . . A 1877 GLU HB3 . 34899 1 786 . 1 . 1 127 127 GLU HG2 H 1 2.069496254 0 . 2 . . . . A 1877 GLU HG2 . 34899 1 787 . 1 . 1 127 127 GLU HG3 H 1 2.121771619 0.008202879614 . 2 . . . . A 1877 GLU HG3 . 34899 1 788 . 1 . 1 127 127 GLU CA C 13 54.90441172 0.06571725126 . 1 . . . . A 1877 GLU CA . 34899 1 789 . 1 . 1 127 127 GLU CB C 13 34.29256775 0.05068941184 . 1 . . . . A 1877 GLU CB . 34899 1 790 . 1 . 1 127 127 GLU CG C 13 36.43213853 0.05442025521 . 1 . . . . A 1877 GLU CG . 34899 1 791 . 1 . 1 127 127 GLU N N 15 117.0776166 0.02200256847 . 1 . . . . A 1877 GLU N . 34899 1 792 . 1 . 1 128 128 CYS H H 1 9.053054937 0.002757228754 . 1 . . . . A 1878 CYS H . 34899 1 793 . 1 . 1 128 128 CYS HA H 1 4.990392151 0.005319145116 . 1 . . . . A 1878 CYS HA . 34899 1 794 . 1 . 1 128 128 CYS HB2 H 1 3.118587714 0.009030536852 . 2 . . . . A 1878 CYS HB2 . 34899 1 795 . 1 . 1 128 128 CYS HB3 H 1 3.43162491 0.006724268137 . 2 . . . . A 1878 CYS HB3 . 34899 1 796 . 1 . 1 128 128 CYS CA C 13 55.52148621 0.04532074427 . 1 . . . . A 1878 CYS CA . 34899 1 797 . 1 . 1 128 128 CYS CB C 13 42.35122123 0.04967001994 . 1 . . . . A 1878 CYS CB . 34899 1 798 . 1 . 1 128 128 CYS N N 15 121.7782073 0.02989446729 . 1 . . . . A 1878 CYS N . 34899 1 799 . 1 . 1 129 129 VAL H H 1 8.933187965 0.00261402129 . 1 . . . . A 1879 VAL H . 34899 1 800 . 1 . 1 129 129 VAL HA H 1 4.363904062 0.005645229811 . 1 . . . . A 1879 VAL HA . 34899 1 801 . 1 . 1 129 129 VAL HB H 1 2.213830438 0.003791540453 . 1 . . . . A 1879 VAL HB . 34899 1 802 . 1 . 1 129 129 VAL HG11 H 1 1.030457521 0.001673545305 . 2 . . . . A 1879 VAL HG11 . 34899 1 803 . 1 . 1 129 129 VAL HG12 H 1 1.030457521 0.001673545305 . 2 . . . . A 1879 VAL HG12 . 34899 1 804 . 1 . 1 129 129 VAL HG13 H 1 1.030457521 0.001673545305 . 2 . . . . A 1879 VAL HG13 . 34899 1 805 . 1 . 1 129 129 VAL HG21 H 1 1.069843886 0.002897413454 . 2 . . . . A 1879 VAL HG21 . 34899 1 806 . 1 . 1 129 129 VAL HG22 H 1 1.069843886 0.002897413454 . 2 . . . . A 1879 VAL HG22 . 34899 1 807 . 1 . 1 129 129 VAL HG23 H 1 1.069843886 0.002897413454 . 2 . . . . A 1879 VAL HG23 . 34899 1 808 . 1 . 1 129 129 VAL CA C 13 62.64775209 0.04830546677 . 1 . . . . A 1879 VAL CA . 34899 1 809 . 1 . 1 129 129 VAL CB C 13 33.57227636 0.04328101933 . 1 . . . . A 1879 VAL CB . 34899 1 810 . 1 . 1 129 129 VAL CG1 C 13 21.3312092 0.01512628154 . 2 . . . . A 1879 VAL CG1 . 34899 1 811 . 1 . 1 129 129 VAL CG2 C 13 21.56330139 0.02073709327 . 2 . . . . A 1879 VAL CG2 . 34899 1 812 . 1 . 1 129 129 VAL N N 15 124.9806832 0.02023468135 . 1 . . . . A 1879 VAL N . 34899 1 stop_ save_