data_27063 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27063 _Entry.Title ; Degenerate heptads 27-52 of human RNA polymerase II C-terminal domain (DNA-directed RNA polymerase II subunit RPB1): assignments and backbone relaxation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-04 _Entry.Accession_date 2017-04-04 _Entry.Last_release_date 2017-04-04 _Entry.Original_release_date 2017-04-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Abigail Janke . M. . . 27063 2 Kathleen Burke . A. . . 27063 3 Nicolas Fawzi . L. . . 27063 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27063 heteronucl_NOEs 1 27063 heteronucl_T1_relaxation 1 27063 heteronucl_T2_relaxation 1 27063 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 425 27063 '15N chemical shifts' 108 27063 '1H chemical shifts' 108 27063 'T1 relaxation values' 58 27063 'T2 relaxation values' 59 27063 'heteronuclear NOE values' 59 27063 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 2 . . 2018-05-18 2017-04-04 update BMRB 'update entry citation' 27063 1 . . 2017-10-04 2017-04-04 original author 'original release' 27063 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27063 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28945358 _Citation.Full_citation . _Citation.Title ; Lysines in RNA polymerase II C-terminal domain contribute to TAF15 fibril recruitment ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 57 _Citation.Journal_issue 17 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2549 _Citation.Page_last 2563 _Citation.Year 2018 _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 Abigail Janke . M. . . 27063 1 2 Dahee Seo . . . . 27063 1 3 Kathleen Burke . A. . . 27063 1 4 Alexander Conicella . E. . . 27063 1 5 Vahid Rahmanian . . . . 27063 1 6 Jeetain Mittal . . . . 27063 1 7 Nicolas Fawzi . L. . . 27063 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27063 _Assembly.ID 1 _Assembly.Name 'CTD27-52 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'CTD27-52 monomer' 1 $RNA_Pol_II_CTD27-52 A . yes 'intrinsically disordered' no no . . 'assignments for trans (major) proline forms' 27063 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_Pol_II_CTD27-52 _Entity.Sf_category entity _Entity.Sf_framecode RNA_Pol_II_CTD27-52 _Entity.Entry_ID 27063 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_Pol_II_CTD27-52 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMSPNYTPTSPNYSPTSPS YSPTSPSYSPTSPSYSPSSP RYTPQSPTYTPSSPSYSPSS PSYSPASPKYTPTSPSYSPS SPEYTPTSPKYSPTSPKYSP TSPKYSPTSPTYSPTTPKYS PTSPTYSPTSPVYTPTSPKY SPTSPTYSPTSPKYSPTSPT YSPTSPKGSTYSPTSPGYSP TSPTYSLTSPAISPDDSDEE N ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residue 1-3 are cleavage and cloning artifact. Residue 4 is residue 1773 and the last residue is residue 1970. Residue 1835 is alanine as in canonical sequence Uniprot P24928. ; _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 201 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'heptad repeats 27-52 and acidic C-terminal tail' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P24928 . 'DNA-directed RNA polymerase II subunit RPB1' . . . . . . . . . . . . . . 27063 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 1 GLY . 27063 1 2 2 HIS . 27063 1 3 3 MET . 27063 1 4 1773 SER . 27063 1 5 1774 PRO . 27063 1 6 1775 ASN . 27063 1 7 1776 TYR . 27063 1 8 1777 THR . 27063 1 9 1778 PRO . 27063 1 10 1779 THR . 27063 1 11 1780 SER . 27063 1 12 1781 PRO . 27063 1 13 1782 ASN . 27063 1 14 1783 TYR . 27063 1 15 1784 SER . 27063 1 16 1785 PRO . 27063 1 17 1786 THR . 27063 1 18 1787 SER . 27063 1 19 1788 PRO . 27063 1 20 1789 SER . 27063 1 21 1790 TYR . 27063 1 22 1791 SER . 27063 1 23 1792 PRO . 27063 1 24 1793 THR . 27063 1 25 1794 SER . 27063 1 26 1795 PRO . 27063 1 27 1796 SER . 27063 1 28 1797 TYR . 27063 1 29 1798 SER . 27063 1 30 1799 PRO . 27063 1 31 1800 THR . 27063 1 32 1801 SER . 27063 1 33 1802 PRO . 27063 1 34 1803 SER . 27063 1 35 1804 TYR . 27063 1 36 1805 SER . 27063 1 37 1806 PRO . 27063 1 38 1807 SER . 27063 1 39 1808 SER . 27063 1 40 1809 PRO . 27063 1 41 1810 ARG . 27063 1 42 1811 TYR . 27063 1 43 1812 THR . 27063 1 44 1813 PRO . 27063 1 45 1814 GLN . 27063 1 46 1815 SER . 27063 1 47 1816 PRO . 27063 1 48 1817 THR . 27063 1 49 1818 TYR . 27063 1 50 1819 THR . 27063 1 51 1820 PRO . 27063 1 52 1821 SER . 27063 1 53 1822 SER . 27063 1 54 1823 PRO . 27063 1 55 1824 SER . 27063 1 56 1825 TYR . 27063 1 57 1826 SER . 27063 1 58 1827 PRO . 27063 1 59 1828 SER . 27063 1 60 1829 SER . 27063 1 61 1830 PRO . 27063 1 62 1831 SER . 27063 1 63 1832 TYR . 27063 1 64 1833 SER . 27063 1 65 1834 PRO . 27063 1 66 1835 ALA . 27063 1 67 1836 SER . 27063 1 68 1837 PRO . 27063 1 69 1838 LYS . 27063 1 70 1839 TYR . 27063 1 71 1840 THR . 27063 1 72 1841 PRO . 27063 1 73 1842 THR . 27063 1 74 1843 SER . 27063 1 75 1844 PRO . 27063 1 76 1845 SER . 27063 1 77 1846 TYR . 27063 1 78 1847 SER . 27063 1 79 1848 PRO . 27063 1 80 1849 SER . 27063 1 81 1850 SER . 27063 1 82 1851 PRO . 27063 1 83 1852 GLU . 27063 1 84 1853 TYR . 27063 1 85 1854 THR . 27063 1 86 1855 PRO . 27063 1 87 1856 THR . 27063 1 88 1857 SER . 27063 1 89 1858 PRO . 27063 1 90 1859 LYS . 27063 1 91 1860 TYR . 27063 1 92 1861 SER . 27063 1 93 1862 PRO . 27063 1 94 1863 THR . 27063 1 95 1864 SER . 27063 1 96 1865 PRO . 27063 1 97 1866 LYS . 27063 1 98 1867 TYR . 27063 1 99 1868 SER . 27063 1 100 1869 PRO . 27063 1 101 1870 THR . 27063 1 102 1871 SER . 27063 1 103 1872 PRO . 27063 1 104 1873 LYS . 27063 1 105 1874 TYR . 27063 1 106 1875 SER . 27063 1 107 1876 PRO . 27063 1 108 1877 THR . 27063 1 109 1878 SER . 27063 1 110 1879 PRO . 27063 1 111 1880 THR . 27063 1 112 1881 TYR . 27063 1 113 1882 SER . 27063 1 114 1883 PRO . 27063 1 115 1884 THR . 27063 1 116 1885 THR . 27063 1 117 1886 PRO . 27063 1 118 1887 LYS . 27063 1 119 1888 TYR . 27063 1 120 1889 SER . 27063 1 121 1890 PRO . 27063 1 122 1891 THR . 27063 1 123 1892 SER . 27063 1 124 1893 PRO . 27063 1 125 1894 THR . 27063 1 126 1895 TYR . 27063 1 127 1896 SER . 27063 1 128 1897 PRO . 27063 1 129 1898 THR . 27063 1 130 1899 SER . 27063 1 131 1900 PRO . 27063 1 132 1901 VAL . 27063 1 133 1902 TYR . 27063 1 134 1903 THR . 27063 1 135 1904 PRO . 27063 1 136 1905 THR . 27063 1 137 1906 SER . 27063 1 138 1907 PRO . 27063 1 139 1908 LYS . 27063 1 140 1909 TYR . 27063 1 141 1910 SER . 27063 1 142 1911 PRO . 27063 1 143 1912 THR . 27063 1 144 1913 SER . 27063 1 145 1914 PRO . 27063 1 146 1915 THR . 27063 1 147 1916 TYR . 27063 1 148 1917 SER . 27063 1 149 1918 PRO . 27063 1 150 1919 THR . 27063 1 151 1920 SER . 27063 1 152 1921 PRO . 27063 1 153 1922 LYS . 27063 1 154 1923 TYR . 27063 1 155 1924 SER . 27063 1 156 1925 PRO . 27063 1 157 1926 THR . 27063 1 158 1927 SER . 27063 1 159 1928 PRO . 27063 1 160 1929 THR . 27063 1 161 1930 TYR . 27063 1 162 1931 SER . 27063 1 163 1932 PRO . 27063 1 164 1933 THR . 27063 1 165 1934 SER . 27063 1 166 1935 PRO . 27063 1 167 1936 LYS . 27063 1 168 1937 GLY . 27063 1 169 1938 SER . 27063 1 170 1939 THR . 27063 1 171 1940 TYR . 27063 1 172 1941 SER . 27063 1 173 1942 PRO . 27063 1 174 1943 THR . 27063 1 175 1944 SER . 27063 1 176 1945 PRO . 27063 1 177 1946 GLY . 27063 1 178 1947 TYR . 27063 1 179 1948 SER . 27063 1 180 1949 PRO . 27063 1 181 1950 THR . 27063 1 182 1951 SER . 27063 1 183 1952 PRO . 27063 1 184 1953 THR . 27063 1 185 1954 TYR . 27063 1 186 1955 SER . 27063 1 187 1956 LEU . 27063 1 188 1957 THR . 27063 1 189 1958 SER . 27063 1 190 1959 PRO . 27063 1 191 1960 ALA . 27063 1 192 1961 ILE . 27063 1 193 1962 SER . 27063 1 194 1963 PRO . 27063 1 195 1964 ASP . 27063 1 196 1965 ASP . 27063 1 197 1966 SER . 27063 1 198 1967 ASP . 27063 1 199 1968 GLU . 27063 1 200 1969 GLU . 27063 1 201 1970 ASN . 27063 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27063 1 . HIS 2 2 27063 1 . MET 3 3 27063 1 . SER 4 4 27063 1 . PRO 5 5 27063 1 . ASN 6 6 27063 1 . TYR 7 7 27063 1 . THR 8 8 27063 1 . PRO 9 9 27063 1 . THR 10 10 27063 1 . SER 11 11 27063 1 . PRO 12 12 27063 1 . ASN 13 13 27063 1 . TYR 14 14 27063 1 . SER 15 15 27063 1 . PRO 16 16 27063 1 . THR 17 17 27063 1 . SER 18 18 27063 1 . PRO 19 19 27063 1 . SER 20 20 27063 1 . TYR 21 21 27063 1 . SER 22 22 27063 1 . PRO 23 23 27063 1 . THR 24 24 27063 1 . SER 25 25 27063 1 . PRO 26 26 27063 1 . SER 27 27 27063 1 . TYR 28 28 27063 1 . SER 29 29 27063 1 . PRO 30 30 27063 1 . THR 31 31 27063 1 . SER 32 32 27063 1 . PRO 33 33 27063 1 . SER 34 34 27063 1 . TYR 35 35 27063 1 . SER 36 36 27063 1 . PRO 37 37 27063 1 . SER 38 38 27063 1 . SER 39 39 27063 1 . PRO 40 40 27063 1 . ARG 41 41 27063 1 . TYR 42 42 27063 1 . THR 43 43 27063 1 . PRO 44 44 27063 1 . GLN 45 45 27063 1 . SER 46 46 27063 1 . PRO 47 47 27063 1 . THR 48 48 27063 1 . TYR 49 49 27063 1 . THR 50 50 27063 1 . PRO 51 51 27063 1 . SER 52 52 27063 1 . SER 53 53 27063 1 . PRO 54 54 27063 1 . SER 55 55 27063 1 . TYR 56 56 27063 1 . SER 57 57 27063 1 . PRO 58 58 27063 1 . SER 59 59 27063 1 . SER 60 60 27063 1 . PRO 61 61 27063 1 . SER 62 62 27063 1 . TYR 63 63 27063 1 . SER 64 64 27063 1 . PRO 65 65 27063 1 . ALA 66 66 27063 1 . SER 67 67 27063 1 . PRO 68 68 27063 1 . LYS 69 69 27063 1 . TYR 70 70 27063 1 . THR 71 71 27063 1 . PRO 72 72 27063 1 . THR 73 73 27063 1 . SER 74 74 27063 1 . PRO 75 75 27063 1 . SER 76 76 27063 1 . TYR 77 77 27063 1 . SER 78 78 27063 1 . PRO 79 79 27063 1 . SER 80 80 27063 1 . SER 81 81 27063 1 . PRO 82 82 27063 1 . GLU 83 83 27063 1 . TYR 84 84 27063 1 . THR 85 85 27063 1 . PRO 86 86 27063 1 . THR 87 87 27063 1 . SER 88 88 27063 1 . PRO 89 89 27063 1 . LYS 90 90 27063 1 . TYR 91 91 27063 1 . SER 92 92 27063 1 . PRO 93 93 27063 1 . THR 94 94 27063 1 . SER 95 95 27063 1 . PRO 96 96 27063 1 . LYS 97 97 27063 1 . TYR 98 98 27063 1 . SER 99 99 27063 1 . PRO 100 100 27063 1 . THR 101 101 27063 1 . SER 102 102 27063 1 . PRO 103 103 27063 1 . LYS 104 104 27063 1 . TYR 105 105 27063 1 . SER 106 106 27063 1 . PRO 107 107 27063 1 . THR 108 108 27063 1 . SER 109 109 27063 1 . PRO 110 110 27063 1 . THR 111 111 27063 1 . TYR 112 112 27063 1 . SER 113 113 27063 1 . PRO 114 114 27063 1 . THR 115 115 27063 1 . THR 116 116 27063 1 . PRO 117 117 27063 1 . LYS 118 118 27063 1 . TYR 119 119 27063 1 . SER 120 120 27063 1 . PRO 121 121 27063 1 . THR 122 122 27063 1 . SER 123 123 27063 1 . PRO 124 124 27063 1 . THR 125 125 27063 1 . TYR 126 126 27063 1 . SER 127 127 27063 1 . PRO 128 128 27063 1 . THR 129 129 27063 1 . SER 130 130 27063 1 . PRO 131 131 27063 1 . VAL 132 132 27063 1 . TYR 133 133 27063 1 . THR 134 134 27063 1 . PRO 135 135 27063 1 . THR 136 136 27063 1 . SER 137 137 27063 1 . PRO 138 138 27063 1 . LYS 139 139 27063 1 . TYR 140 140 27063 1 . SER 141 141 27063 1 . PRO 142 142 27063 1 . THR 143 143 27063 1 . SER 144 144 27063 1 . PRO 145 145 27063 1 . THR 146 146 27063 1 . TYR 147 147 27063 1 . SER 148 148 27063 1 . PRO 149 149 27063 1 . THR 150 150 27063 1 . SER 151 151 27063 1 . PRO 152 152 27063 1 . LYS 153 153 27063 1 . TYR 154 154 27063 1 . SER 155 155 27063 1 . PRO 156 156 27063 1 . THR 157 157 27063 1 . SER 158 158 27063 1 . PRO 159 159 27063 1 . THR 160 160 27063 1 . TYR 161 161 27063 1 . SER 162 162 27063 1 . PRO 163 163 27063 1 . THR 164 164 27063 1 . SER 165 165 27063 1 . PRO 166 166 27063 1 . LYS 167 167 27063 1 . GLY 168 168 27063 1 . SER 169 169 27063 1 . THR 170 170 27063 1 . TYR 171 171 27063 1 . SER 172 172 27063 1 . PRO 173 173 27063 1 . THR 174 174 27063 1 . SER 175 175 27063 1 . PRO 176 176 27063 1 . GLY 177 177 27063 1 . TYR 178 178 27063 1 . SER 179 179 27063 1 . PRO 180 180 27063 1 . THR 181 181 27063 1 . SER 182 182 27063 1 . PRO 183 183 27063 1 . THR 184 184 27063 1 . TYR 185 185 27063 1 . SER 186 186 27063 1 . LEU 187 187 27063 1 . THR 188 188 27063 1 . SER 189 189 27063 1 . PRO 190 190 27063 1 . ALA 191 191 27063 1 . ILE 192 192 27063 1 . SER 193 193 27063 1 . PRO 194 194 27063 1 . ASP 195 195 27063 1 . ASP 196 196 27063 1 . SER 197 197 27063 1 . ASP 198 198 27063 1 . GLU 199 199 27063 1 . GLU 200 200 27063 1 . ASN 201 201 27063 1 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 27063 _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 $RNA_Pol_II_CTD27-52 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27063 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 27063 _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 $RNA_Pol_II_CTD27-52 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 Star DE3' . . . . . pJ411 . . 'expressed with N-terminal his fusion tag, cleaved.' 27063 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27063 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N sample for assignment' _Sample.Aggregate_sample_number 2 _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 'RNA Pol II CTD27-52' '[U-99% 13C; U-99% 15N]' . . 1 $RNA_Pol_II_CTD27-52 . . 500 . . uM 25 . . . 27063 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 27063 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27063 1 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 27063 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 20 . . mM . . . . 27063 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27063 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N sample for backbone relaxation' _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 'RNA Pol II CTD27-52' '[U-99% 15N]' . . 1 $RNA_Pol_II_CTD27-52 . . 250 . . uM 25 . . . 27063 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 27063 2 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 27063 2 4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 27063 2 5 beta-mercaptoethanol 'natural abundance' . . . . . . 20 . . mM . . . . 27063 2 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 27063 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 27063 1 pressure 1 . atm 27063 1 temperature 277 . K 27063 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27063 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27063 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27063 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27063 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27063 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27063 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27063 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27063 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 'TCI cryoprobe' . . 27063 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 27063 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27063 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27063 1 3 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27063 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27063 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27063 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27063 1 7 '3D (H)N(CA)NNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27063 1 8 '15N R2' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27063 1 9 '15N R1' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27063 1 10 '1H 15N het NOE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27063 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27063 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'referenced to water, water resonance predicted by bruk2pipe. 13C, 15N indirect reference by bruk2pipe.' 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 carbon' . . . . ppm 0.00 na indirect 1.0 . . . . . 27063 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.0 . . . . . 27063 1 N 15 DSS nitrogen . . . . ppm 0.00 na indirect 1.0 . . . . . 27063 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27063 _Assigned_chem_shift_list.ID 1 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27063 1 2 '3D HNCO' . . . 27063 1 3 '3D HCACO' . . . 27063 1 4 '3D HNCACB' . . . 27063 1 5 '3D CBCA(CO)NH' . . . 27063 1 6 '3D HNCA' . . . 27063 1 7 '3D (H)N(CA)NNH' . . . 27063 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 27063 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 4 4 SER H H 1 8.494 0.020 . 1 . . . . . 1773 SER H . 27063 1 2 . 1 1 4 4 SER C C 13 172.816 0.3 . 1 . . . . . 1773 SER C . 27063 1 3 . 1 1 4 4 SER CA C 13 56.535 0.3 . 1 . . . . . 1773 SER CA . 27063 1 4 . 1 1 4 4 SER CB C 13 63.123 0.3 . 1 . . . . . 1773 SER CB . 27063 1 5 . 1 1 4 4 SER N N 15 119.107 0.3 . 1 . . . . . 1773 SER N . 27063 1 6 . 1 1 5 5 PRO C C 13 176.396 0.3 . 1 . . . . . 1774 PRO C . 27063 1 7 . 1 1 5 5 PRO CA C 13 63.258 0.3 . 1 . . . . . 1774 PRO CA . 27063 1 8 . 1 1 5 5 PRO CB C 13 31.797 0.3 . 1 . . . . . 1774 PRO CB . 27063 1 9 . 1 1 6 6 ASN H H 1 8.444 0.020 . 1 . . . . . 1775 ASN H . 27063 1 10 . 1 1 6 6 ASN C C 13 174.560 0.3 . 1 . . . . . 1775 ASN C . 27063 1 11 . 1 1 6 6 ASN CA C 13 52.973 0.3 . 1 . . . . . 1775 ASN CA . 27063 1 12 . 1 1 6 6 ASN CB C 13 38.519 0.3 . 1 . . . . . 1775 ASN CB . 27063 1 13 . 1 1 6 6 ASN N N 15 118.155 0.3 . 1 . . . . . 1775 ASN N . 27063 1 14 . 1 1 7 7 TYR H H 1 8.142 0.020 . 1 . . . . . 1776 TYR H . 27063 1 15 . 1 1 7 7 TYR C C 13 175.245 0.3 . 1 . . . . . 1776 TYR C . 27063 1 16 . 1 1 7 7 TYR CA C 13 57.813 0.3 . 1 . . . . . 1776 TYR CA . 27063 1 17 . 1 1 7 7 TYR CB C 13 38.721 0.3 . 1 . . . . . 1776 TYR CB . 27063 1 18 . 1 1 7 7 TYR N N 15 121.596 0.3 . 1 . . . . . 1776 TYR N . 27063 1 19 . 1 1 8 8 THR H H 1 8.135 0.020 . 1 . . . . . 1777 THR H . 27063 1 20 . 1 1 8 8 THR C C 13 178.606 0.3 . 1 . . . . . 1777 THR C . 27063 1 21 . 1 1 8 8 THR CA C 13 59.090 0.3 . 1 . . . . . 1777 THR CA . 27063 1 22 . 1 1 8 8 THR CB C 13 69.846 0.3 . 1 . . . . . 1777 THR CB . 27063 1 23 . 1 1 8 8 THR N N 15 120.624 0.3 . 1 . . . . . 1777 THR N . 27063 1 24 . 1 1 9 9 PRO C C 13 176.972 0.3 . 1 . . . . . 1778 PRO C . 27063 1 25 . 1 1 9 9 PRO CA C 13 63.056 0.3 . 1 . . . . . 1778 PRO CA . 27063 1 26 . 1 1 9 9 PRO CB C 13 31.932 0.3 . 1 . . . . . 1778 PRO CB . 27063 1 27 . 1 1 10 10 THR H H 1 8.180 0.020 . 1 . . . . . 1779 THR H . 27063 1 28 . 1 1 10 10 THR C C 13 174.412 0.3 . 1 . . . . . 1779 THR C . 27063 1 29 . 1 1 10 10 THR CA C 13 61.779 0.3 . 1 . . . . . 1779 THR CA . 27063 1 30 . 1 1 10 10 THR CB C 13 69.644 0.3 . 1 . . . . . 1779 THR CB . 27063 1 31 . 1 1 10 10 THR N N 15 113.516 0.3 . 1 . . . . . 1779 THR N . 27063 1 32 . 1 1 11 11 SER H H 1 8.345 0.020 . 1 . . . . . 1780 SER H . 27063 1 33 . 1 1 11 11 SER C C 13 172.926 0.3 . 1 . . . . . 1780 SER C . 27063 1 34 . 1 1 11 11 SER CA C 13 56.334 0.3 . 1 . . . . . 1780 SER CA . 27063 1 35 . 1 1 11 11 SER CB C 13 63.325 0.3 . 1 . . . . . 1780 SER CB . 27063 1 36 . 1 1 11 11 SER N N 15 119.651 0.3 . 1 . . . . . 1780 SER N . 27063 1 37 . 1 1 12 12 PRO C C 13 176.387 0.3 . 1 . . . . . 1781 PRO C . 27063 1 38 . 1 1 12 12 PRO CA C 13 63.325 0.3 . 1 . . . . . 1781 PRO CA . 27063 1 39 . 1 1 12 12 PRO CB C 13 31.797 0.3 . 1 . . . . . 1781 PRO CB . 27063 1 40 . 1 1 13 13 ASN H H 1 8.422 0.020 . 1 . . . . . 1782 ASN H . 27063 1 41 . 1 1 13 13 ASN C C 13 174.567 0.3 . 1 . . . . . 1782 ASN C . 27063 1 42 . 1 1 13 13 ASN CA C 13 52.838 0.3 . 1 . . . . . 1782 ASN CA . 27063 1 43 . 1 1 13 13 ASN CB C 13 38.519 0.3 . 1 . . . . . 1782 ASN CB . 27063 1 44 . 1 1 13 13 ASN N N 15 117.858 0.3 . 1 . . . . . 1782 ASN N . 27063 1 45 . 1 1 14 14 TYR H H 1 8.091 0.020 . 1 . . . . . 1783 TYR H . 27063 1 46 . 1 1 14 14 TYR C C 13 175.276 0.3 . 1 . . . . . 1783 TYR C . 27063 1 47 . 1 1 14 14 TYR CA C 13 58.014 0.3 . 1 . . . . . 1783 TYR CA . 27063 1 48 . 1 1 14 14 TYR CB C 13 38.676 0.3 . 1 . . . . . 1783 TYR CB . 27063 1 49 . 1 1 14 14 TYR N N 15 121.404 0.3 . 1 . . . . . 1783 TYR N . 27063 1 50 . 1 1 15 15 SER H H 1 8.175 0.020 . 1 . . . . . 1784 SER H . 27063 1 51 . 1 1 15 15 SER C C 13 178.769 0.3 . 1 . . . . . 1784 SER C . 27063 1 52 . 1 1 15 15 SER CA C 13 55.393 0.3 . 1 . . . . . 1784 SER CA . 27063 1 53 . 1 1 15 15 SER CB C 13 63.527 0.3 . 1 . . . . . 1784 SER CB . 27063 1 54 . 1 1 15 15 SER N N 15 120.359 0.3 . 1 . . . . . 1784 SER N . 27063 1 55 . 1 1 16 16 PRO C C 13 177.050 0.3 . 1 . . . . . 1785 PRO C . 27063 1 56 . 1 1 16 16 PRO CA C 13 63.191 0.3 . 1 . . . . . 1785 PRO CA . 27063 1 57 . 1 1 16 16 PRO CB C 13 31.932 0.3 . 1 . . . . . 1785 PRO CB . 27063 1 58 . 1 1 17 17 THR H H 1 8.121 0.020 . 1 . . . . . 1786 THR H . 27063 1 59 . 1 1 17 17 THR C C 13 174.459 0.3 . 1 . . . . . 1786 THR C . 27063 1 60 . 1 1 17 17 THR CA C 13 61.644 0.3 . 1 . . . . . 1786 THR CA . 27063 1 61 . 1 1 17 17 THR CB C 13 69.577 0.3 . 1 . . . . . 1786 THR CB . 27063 1 62 . 1 1 17 17 THR N N 15 112.755 0.3 . 1 . . . . . 1786 THR N . 27063 1 63 . 1 1 18 18 SER H H 1 8.266 0.020 . 1 . . . . . 1787 SER H . 27063 1 64 . 1 1 18 18 SER C C 13 172.778 0.3 . 1 . . . . . 1787 SER C . 27063 1 65 . 1 1 18 18 SER CA C 13 56.468 0.3 . 1 . . . . . 1787 SER CA . 27063 1 66 . 1 1 18 18 SER CB C 13 63.258 0.3 . 1 . . . . . 1787 SER CB . 27063 1 67 . 1 1 18 18 SER N N 15 119.695 0.3 . 1 . . . . . 1787 SER N . 27063 1 68 . 1 1 33 33 PRO C C 13 176.793 0.3 . 1 . . . . . 1802 PRO C . 27063 1 69 . 1 1 33 33 PRO CA C 13 63.258 0.3 . 1 . . . . . 1802 PRO CA . 27063 1 70 . 1 1 33 33 PRO CB C 13 31.864 0.3 . 1 . . . . . 1802 PRO CB . 27063 1 71 . 1 1 34 34 SER H H 1 8.349 0.020 . 1 . . . . . 1803 SER H . 27063 1 72 . 1 1 34 34 SER C C 13 173.852 0.3 . 1 . . . . . 1803 SER C . 27063 1 73 . 1 1 34 34 SER CA C 13 58.082 0.3 . 1 . . . . . 1803 SER CA . 27063 1 74 . 1 1 34 34 SER CB C 13 63.661 0.3 . 1 . . . . . 1803 SER CB . 27063 1 75 . 1 1 34 34 SER N N 15 115.417 0.3 . 1 . . . . . 1803 SER N . 27063 1 76 . 1 1 35 35 TYR H H 1 8.170 0.020 . 1 . . . . . 1804 TYR H . 27063 1 77 . 1 1 35 35 TYR C C 13 175.221 0.3 . 1 . . . . . 1804 TYR C . 27063 1 78 . 1 1 35 35 TYR CA C 13 57.880 0.3 . 1 . . . . . 1804 TYR CA . 27063 1 79 . 1 1 35 35 TYR CB C 13 38.856 0.3 . 1 . . . . . 1804 TYR CB . 27063 1 80 . 1 1 35 35 TYR N N 15 122.580 0.3 . 1 . . . . . 1804 TYR N . 27063 1 81 . 1 1 36 36 SER H H 1 8.222 0.020 . 1 . . . . . 1805 SER H . 27063 1 82 . 1 1 36 36 SER C C 13 178.902 0.3 . 1 . . . . . 1805 SER C . 27063 1 83 . 1 1 36 36 SER CA C 13 55.527 0.3 . 1 . . . . . 1805 SER CA . 27063 1 84 . 1 1 36 36 SER CB C 13 63.527 0.3 . 1 . . . . . 1805 SER CB . 27063 1 85 . 1 1 36 36 SER N N 15 120.260 0.3 . 1 . . . . . 1805 SER N . 27063 1 86 . 1 1 37 37 PRO C C 13 176.863 0.3 . 1 . . . . . 1806 PRO C . 27063 1 87 . 1 1 37 37 PRO CA C 13 63.325 0.3 . 1 . . . . . 1806 PRO CA . 27063 1 88 . 1 1 37 37 PRO CB C 13 31.864 0.3 . 1 . . . . . 1806 PRO CB . 27063 1 89 . 1 1 38 38 SER H H 1 8.238 0.020 . 1 . . . . . 1807 SER H . 27063 1 90 . 1 1 38 38 SER C C 13 174.233 0.3 . 1 . . . . . 1807 SER C . 27063 1 91 . 1 1 38 38 SER CA C 13 58.216 0.3 . 1 . . . . . 1807 SER CA . 27063 1 92 . 1 1 38 38 SER CB C 13 63.661 0.3 . 1 . . . . . 1807 SER CB . 27063 1 93 . 1 1 38 38 SER N N 15 114.490 0.3 . 1 . . . . . 1807 SER N . 27063 1 94 . 1 1 39 39 SER H H 1 8.191 0.020 . 1 . . . . . 1808 SER H . 27063 1 95 . 1 1 39 39 SER C C 13 172.701 0.3 . 1 . . . . . 1808 SER C . 27063 1 96 . 1 1 39 39 SER CA C 13 56.468 0.3 . 1 . . . . . 1808 SER CA . 27063 1 97 . 1 1 39 39 SER CB C 13 63.325 0.3 . 1 . . . . . 1808 SER CB . 27063 1 98 . 1 1 39 39 SER N N 15 118.948 0.3 . 1 . . . . . 1808 SER N . 27063 1 99 . 1 1 40 40 PRO C C 13 176.700 0.3 . 1 . . . . . 1809 PRO C . 27063 1 100 . 1 1 40 40 PRO CA C 13 63.325 0.3 . 1 . . . . . 1809 PRO CA . 27063 1 101 . 1 1 40 40 PRO CB C 13 31.864 0.3 . 1 . . . . . 1809 PRO CB . 27063 1 102 . 1 1 41 41 ARG H H 1 8.386 0.020 . 1 . . . . . 1810 ARG H . 27063 1 103 . 1 1 41 41 ARG C C 13 175.782 0.3 . 1 . . . . . 1810 ARG C . 27063 1 104 . 1 1 41 41 ARG CA C 13 55.961 0.3 . 1 . . . . . 1810 ARG CA . 27063 1 105 . 1 1 41 41 ARG CB C 13 30.453 0.3 . 1 . . . . . 1810 ARG CB . 27063 1 106 . 1 1 41 41 ARG N N 15 120.768 0.3 . 1 . . . . . 1810 ARG N . 27063 1 107 . 1 1 42 42 TYR H H 1 8.244 0.020 . 1 . . . . . 1811 TYR H . 27063 1 108 . 1 1 42 42 TYR C C 13 175.280 0.3 . 1 . . . . . 1811 TYR C . 27063 1 109 . 1 1 42 42 TYR CA C 13 57.746 0.3 . 1 . . . . . 1811 TYR CA . 27063 1 110 . 1 1 42 42 TYR CB C 13 38.788 0.3 . 1 . . . . . 1811 TYR CB . 27063 1 111 . 1 1 42 42 TYR N N 15 121.938 0.3 . 1 . . . . . 1811 TYR N . 27063 1 112 . 1 1 43 43 THR H H 1 8.097 0.020 . 1 . . . . . 1812 THR H . 27063 1 113 . 1 1 43 43 THR C C 13 178.466 0.3 . 1 . . . . . 1812 THR C . 27063 1 114 . 1 1 43 43 THR CA C 13 59.090 0.3 . 1 . . . . . 1812 THR CA . 27063 1 115 . 1 1 43 43 THR CB C 13 69.980 0.3 . 1 . . . . . 1812 THR CB . 27063 1 116 . 1 1 43 43 THR N N 15 120.637 0.3 . 1 . . . . . 1812 THR N . 27063 1 117 . 1 1 44 44 PRO C C 13 176.692 0.3 . 1 . . . . . 1813 PRO C . 27063 1 118 . 1 1 44 44 PRO CA C 13 62.922 0.3 . 1 . . . . . 1813 PRO CA . 27063 1 119 . 1 1 44 44 PRO CB C 13 31.797 0.3 . 1 . . . . . 1813 PRO CB . 27063 1 120 . 1 1 45 45 GLN H H 1 8.510 0.020 . 1 . . . . . 1814 GLN H . 27063 1 121 . 1 1 45 45 GLN C C 13 175.836 0.3 . 1 . . . . . 1814 GLN C . 27063 1 122 . 1 1 45 45 GLN CA C 13 55.527 0.3 . 1 . . . . . 1814 GLN CA . 27063 1 123 . 1 1 45 45 GLN CB C 13 29.377 0.3 . 1 . . . . . 1814 GLN CB . 27063 1 124 . 1 1 45 45 GLN N N 15 120.511 0.3 . 1 . . . . . 1814 GLN N . 27063 1 125 . 1 1 46 46 SER H H 1 8.481 0.020 . 1 . . . . . 1815 SER H . 27063 1 126 . 1 1 46 46 SER C C 13 172.802 0.3 . 1 . . . . . 1815 SER C . 27063 1 127 . 1 1 46 46 SER CA C 13 56.603 0.3 . 1 . . . . . 1815 SER CA . 27063 1 128 . 1 1 46 46 SER CB C 13 63.056 0.3 . 1 . . . . . 1815 SER CB . 27063 1 129 . 1 1 46 46 SER N N 15 119.097 0.3 . 1 . . . . . 1815 SER N . 27063 1 130 . 1 1 47 47 PRO C C 13 176.894 0.3 . 1 . . . . . 1816 PRO C . 27063 1 131 . 1 1 47 47 PRO CA C 13 63.191 0.3 . 1 . . . . . 1816 PRO CA . 27063 1 132 . 1 1 47 47 PRO CB C 13 31.999 0.3 . 1 . . . . . 1816 PRO CB . 27063 1 133 . 1 1 48 48 THR H H 1 8.220 0.020 . 1 . . . . . 1817 THR H . 27063 1 134 . 1 1 48 48 THR C C 13 174.008 0.3 . 1 . . . . . 1817 THR C . 27063 1 135 . 1 1 48 48 THR CA C 13 61.779 0.3 . 1 . . . . . 1817 THR CA . 27063 1 136 . 1 1 48 48 THR CB C 13 69.779 0.3 . 1 . . . . . 1817 THR CB . 27063 1 137 . 1 1 48 48 THR N N 15 113.908 0.3 . 1 . . . . . 1817 THR N . 27063 1 138 . 1 1 49 49 TYR H H 1 8.268 0.020 . 1 . . . . . 1818 TYR H . 27063 1 139 . 1 1 49 49 TYR C C 13 175.076 0.3 . 1 . . . . . 1818 TYR C . 27063 1 140 . 1 1 49 49 TYR CA C 13 57.861 0.3 . 1 . . . . . 1818 TYR CA . 27063 1 141 . 1 1 49 49 TYR CB C 13 39.014 0.3 . 1 . . . . . 1818 TYR CB . 27063 1 142 . 1 1 49 49 TYR N N 15 123.761 0.3 . 1 . . . . . 1818 TYR N . 27063 1 143 . 1 1 50 50 THR H H 1 8.160 0.020 . 1 . . . . . 1819 THR H . 27063 1 144 . 1 1 50 50 THR C C 13 178.512 0.3 . 1 . . . . . 1819 THR C . 27063 1 145 . 1 1 50 50 THR CA C 13 59.023 0.3 . 1 . . . . . 1819 THR CA . 27063 1 146 . 1 1 50 50 THR CB C 13 69.913 0.3 . 1 . . . . . 1819 THR CB . 27063 1 147 . 1 1 50 50 THR N N 15 121.038 0.3 . 1 . . . . . 1819 THR N . 27063 1 148 . 1 1 51 51 PRO C C 13 176.739 0.3 . 1 . . . . . 1820 PRO C . 27063 1 149 . 1 1 51 51 PRO CA C 13 63.056 0.3 . 1 . . . . . 1820 PRO CA . 27063 1 150 . 1 1 51 51 PRO CB C 13 31.999 0.3 . 1 . . . . . 1820 PRO CB . 27063 1 151 . 1 1 52 52 SER H H 1 8.398 0.020 . 1 . . . . . 1821 SER H . 27063 1 152 . 1 1 52 52 SER C C 13 174.210 0.3 . 1 . . . . . 1821 SER C . 27063 1 153 . 1 1 52 52 SER CA C 13 58.283 0.3 . 1 . . . . . 1821 SER CA . 27063 1 154 . 1 1 52 52 SER CB C 13 63.594 0.3 . 1 . . . . . 1821 SER CB . 27063 1 155 . 1 1 52 52 SER N N 15 115.858 0.3 . 1 . . . . . 1821 SER N . 27063 1 156 . 1 1 53 53 SER H H 1 8.348 0.020 . 1 . . . . . 1822 SER H . 27063 1 157 . 1 1 53 53 SER C C 13 172.756 0.3 . 1 . . . . . 1822 SER C . 27063 1 158 . 1 1 53 53 SER CA C 13 56.334 0.3 . 1 . . . . . 1822 SER CA . 27063 1 159 . 1 1 53 53 SER CB C 13 63.325 0.3 . 1 . . . . . 1822 SER CB . 27063 1 160 . 1 1 53 53 SER N N 15 118.872 0.3 . 1 . . . . . 1822 SER N . 27063 1 161 . 1 1 54 54 PRO C C 13 176.754 0.3 . 1 . . . . . 1823 PRO C . 27063 1 162 . 1 1 54 54 PRO CA C 13 63.258 0.3 . 1 . . . . . 1823 PRO CA . 27063 1 163 . 1 1 54 54 PRO CB C 13 31.932 0.3 . 1 . . . . . 1823 PRO CB . 27063 1 164 . 1 1 55 55 SER H H 1 8.365 0.020 . 1 . . . . . 1824 SER H . 27063 1 165 . 1 1 55 55 SER C C 13 173.899 0.3 . 1 . . . . . 1824 SER C . 27063 1 166 . 1 1 55 55 SER CA C 13 58.082 0.3 . 1 . . . . . 1824 SER CA . 27063 1 167 . 1 1 55 55 SER CB C 13 63.661 0.3 . 1 . . . . . 1824 SER CB . 27063 1 168 . 1 1 55 55 SER N N 15 115.567 0.3 . 1 . . . . . 1824 SER N . 27063 1 169 . 1 1 56 56 TYR H H 1 8.190 0.020 . 1 . . . . . 1825 TYR H . 27063 1 170 . 1 1 56 56 TYR C C 13 175.198 0.3 . 1 . . . . . 1825 TYR C . 27063 1 171 . 1 1 56 56 TYR CA C 13 57.813 0.3 . 1 . . . . . 1825 TYR CA . 27063 1 172 . 1 1 56 56 TYR CB C 13 38.923 0.3 . 1 . . . . . 1825 TYR CB . 27063 1 173 . 1 1 56 56 TYR N N 15 122.591 0.3 . 1 . . . . . 1825 TYR N . 27063 1 174 . 1 1 57 57 SER H H 1 8.201 0.020 . 1 . . . . . 1826 SER H . 27063 1 175 . 1 1 57 57 SER C C 13 178.746 0.3 . 1 . . . . . 1826 SER C . 27063 1 176 . 1 1 57 57 SER CA C 13 55.460 0.3 . 1 . . . . . 1826 SER CA . 27063 1 177 . 1 1 57 57 SER CB C 13 63.527 0.3 . 1 . . . . . 1826 SER CB . 27063 1 178 . 1 1 57 57 SER N N 15 120.318 0.3 . 1 . . . . . 1826 SER N . 27063 1 179 . 1 1 58 58 PRO C C 13 176.824 0.3 . 1 . . . . . 1827 PRO C . 27063 1 180 . 1 1 58 58 PRO CA C 13 63.191 0.3 . 1 . . . . . 1827 PRO CA . 27063 1 181 . 1 1 58 58 PRO CB C 13 31.797 0.3 . 1 . . . . . 1827 PRO CB . 27063 1 182 . 1 1 59 59 SER H H 1 8.283 0.020 . 1 . . . . . 1828 SER H . 27063 1 183 . 1 1 59 59 SER C C 13 174.156 0.3 . 1 . . . . . 1828 SER C . 27063 1 184 . 1 1 59 59 SER CA C 13 58.216 0.3 . 1 . . . . . 1828 SER CA . 27063 1 185 . 1 1 59 59 SER CB C 13 63.661 0.3 . 1 . . . . . 1828 SER CB . 27063 1 186 . 1 1 59 59 SER N N 15 115.009 0.3 . 1 . . . . . 1828 SER N . 27063 1 187 . 1 1 60 60 SER H H 1 8.265 0.020 . 1 . . . . . 1829 SER H . 27063 1 188 . 1 1 60 60 SER C C 13 172.810 0.3 . 1 . . . . . 1829 SER C . 27063 1 189 . 1 1 60 60 SER CA C 13 56.401 0.3 . 1 . . . . . 1829 SER CA . 27063 1 190 . 1 1 60 60 SER CB C 13 63.258 0.3 . 1 . . . . . 1829 SER CB . 27063 1 191 . 1 1 60 60 SER N N 15 118.931 0.3 . 1 . . . . . 1829 SER N . 27063 1 192 . 1 1 65 65 PRO C C 13 176.445 0.3 . 1 . . . . . 1834 PRO C . 27063 1 193 . 1 1 65 65 PRO CA C 13 63.073 0.3 . 1 . . . . . 1834 PRO CA . 27063 1 194 . 1 1 65 65 PRO CB C 13 31.872 0.3 . 1 . . . . . 1834 PRO CB . 27063 1 195 . 1 1 66 66 ALA H H 1 8.303 0.020 . 1 . . . . . 1835 ALA H . 27063 1 196 . 1 1 66 66 ALA C C 13 177.597 0.3 . 1 . . . . . 1835 ALA C . 27063 1 197 . 1 1 66 66 ALA CA C 13 52.185 0.3 . 1 . . . . . 1835 ALA CA . 27063 1 198 . 1 1 66 66 ALA CB C 13 19.052 0.3 . 1 . . . . . 1835 ALA CB . 27063 1 199 . 1 1 66 66 ALA N N 15 123.376 0.3 . 1 . . . . . 1835 ALA N . 27063 1 200 . 1 1 67 67 SER H H 1 8.298 0.020 . 1 . . . . . 1836 SER H . 27063 1 201 . 1 1 67 67 SER C C 13 172.740 0.3 . 1 . . . . . 1836 SER C . 27063 1 202 . 1 1 67 67 SER CA C 13 56.267 0.3 . 1 . . . . . 1836 SER CA . 27063 1 203 . 1 1 67 67 SER CB C 13 63.123 0.3 . 1 . . . . . 1836 SER CB . 27063 1 204 . 1 1 67 67 SER N N 15 116.732 0.3 . 1 . . . . . 1836 SER N . 27063 1 205 . 1 1 68 68 PRO C C 13 176.653 0.3 . 1 . . . . . 1837 PRO C . 27063 1 206 . 1 1 68 68 PRO CA C 13 63.123 0.3 . 1 . . . . . 1837 PRO CA . 27063 1 207 . 1 1 68 68 PRO CB C 13 31.932 0.3 . 1 . . . . . 1837 PRO CB . 27063 1 208 . 1 1 69 69 LYS H H 1 8.376 0.020 . 1 . . . . . 1838 LYS H . 27063 1 209 . 1 1 69 69 LYS C C 13 176.132 0.3 . 1 . . . . . 1838 LYS C . 27063 1 210 . 1 1 69 69 LYS CA C 13 56.267 0.3 . 1 . . . . . 1838 LYS CA . 27063 1 211 . 1 1 69 69 LYS CB C 13 32.738 0.3 . 1 . . . . . 1838 LYS CB . 27063 1 212 . 1 1 69 69 LYS N N 15 121.296 0.3 . 1 . . . . . 1838 LYS N . 27063 1 213 . 1 1 70 70 TYR H H 1 8.267 0.020 . 1 . . . . . 1839 TYR H . 27063 1 214 . 1 1 70 70 TYR C C 13 175.220 0.3 . 1 . . . . . 1839 TYR C . 27063 1 215 . 1 1 70 70 TYR CA C 13 57.611 0.3 . 1 . . . . . 1839 TYR CA . 27063 1 216 . 1 1 70 70 TYR CB C 13 38.856 0.3 . 1 . . . . . 1839 TYR CB . 27063 1 217 . 1 1 70 70 TYR N N 15 122.112 0.3 . 1 . . . . . 1839 TYR N . 27063 1 218 . 1 1 71 71 THR H H 1 8.130 0.020 . 1 . . . . . 1840 THR H . 27063 1 219 . 1 1 71 71 THR C C 13 178.489 0.3 . 1 . . . . . 1840 THR C . 27063 1 220 . 1 1 71 71 THR CA C 13 59.090 0.3 . 1 . . . . . 1840 THR CA . 27063 1 221 . 1 1 71 71 THR CB C 13 69.913 0.3 . 1 . . . . . 1840 THR CB . 27063 1 222 . 1 1 71 71 THR N N 15 121.008 0.3 . 1 . . . . . 1840 THR N . 27063 1 223 . 1 1 72 72 PRO C C 13 176.949 0.3 . 1 . . . . . 1841 PRO C . 27063 1 224 . 1 1 72 72 PRO CA C 13 62.989 0.3 . 1 . . . . . 1841 PRO CA . 27063 1 225 . 1 1 72 72 PRO CB C 13 31.999 0.3 . 1 . . . . . 1841 PRO CB . 27063 1 226 . 1 1 73 73 THR H H 1 8.252 0.020 . 1 . . . . . 1842 THR H . 27063 1 227 . 1 1 73 73 THR C C 13 174.389 0.3 . 1 . . . . . 1842 THR C . 27063 1 228 . 1 1 73 73 THR CA C 13 61.913 0.3 . 1 . . . . . 1842 THR CA . 27063 1 229 . 1 1 73 73 THR CB C 13 69.711 0.3 . 1 . . . . . 1842 THR CB . 27063 1 230 . 1 1 73 73 THR N N 15 114.171 0.3 . 1 . . . . . 1842 THR N . 27063 1 231 . 1 1 74 74 SER H H 1 8.387 0.020 . 1 . . . . . 1843 SER H . 27063 1 232 . 1 1 74 74 SER CA C 13 56.468 0.3 . 1 . . . . . 1843 SER CA . 27063 1 233 . 1 1 74 74 SER CB C 13 63.258 0.3 . 1 . . . . . 1843 SER CB . 27063 1 234 . 1 1 74 74 SER N N 15 119.876 0.3 . 1 . . . . . 1843 SER N . 27063 1 235 . 1 1 76 76 SER H H 1 8.361 0.020 . 1 . . . . . 1845 SER H . 27063 1 236 . 1 1 76 76 SER C C 13 173.876 0.3 . 1 . . . . . 1845 SER C . 27063 1 237 . 1 1 76 76 SER CA C 13 58.036 0.3 . 1 . . . . . 1845 SER CA . 27063 1 238 . 1 1 76 76 SER CB C 13 63.706 0.3 . 1 . . . . . 1845 SER CB . 27063 1 239 . 1 1 76 76 SER N N 15 115.563 0.3 . 1 . . . . . 1845 SER N . 27063 1 240 . 1 1 77 77 TYR H H 1 8.194 0.020 . 1 . . . . . 1846 TYR H . 27063 1 241 . 1 1 77 77 TYR C C 13 175.221 0.3 . 1 . . . . . 1846 TYR C . 27063 1 242 . 1 1 77 77 TYR CA C 13 57.823 0.3 . 1 . . . . . 1846 TYR CA . 27063 1 243 . 1 1 77 77 TYR CB C 13 38.921 0.3 . 1 . . . . . 1846 TYR CB . 27063 1 244 . 1 1 77 77 TYR N N 15 122.600 0.3 . 1 . . . . . 1846 TYR N . 27063 1 245 . 1 1 78 78 SER H H 1 8.171 0.020 . 1 . . . . . 1847 SER H . 27063 1 246 . 1 1 78 78 SER C C 13 178.793 0.3 . 1 . . . . . 1847 SER C . 27063 1 247 . 1 1 78 78 SER CA C 13 55.409 0.3 . 1 . . . . . 1847 SER CA . 27063 1 248 . 1 1 78 78 SER CB C 13 63.490 0.3 . 1 . . . . . 1847 SER CB . 27063 1 249 . 1 1 78 78 SER N N 15 120.329 0.3 . 1 . . . . . 1847 SER N . 27063 1 250 . 1 1 79 79 PRO C C 13 174.233 0.3 . 1 . . . . . 1848 PRO C . 27063 1 251 . 1 1 79 79 PRO CA C 13 63.215 0.3 . 1 . . . . . 1848 PRO CA . 27063 1 252 . 1 1 79 79 PRO CB C 13 31.831 0.3 . 1 . . . . . 1848 PRO CB . 27063 1 253 . 1 1 80 80 SER H H 1 8.277 0.020 . 1 . . . . . 1849 SER H . 27063 1 254 . 1 1 80 80 SER C C 13 176.801 0.3 . 1 . . . . . 1849 SER C . 27063 1 255 . 1 1 80 80 SER CA C 13 58.196 0.3 . 1 . . . . . 1849 SER CA . 27063 1 256 . 1 1 80 80 SER CB C 13 63.677 0.3 . 1 . . . . . 1849 SER CB . 27063 1 257 . 1 1 80 80 SER N N 15 114.955 0.3 . 1 . . . . . 1849 SER N . 27063 1 258 . 1 1 81 81 SER H H 1 8.284 0.020 . 1 . . . . . 1850 SER H . 27063 1 259 . 1 1 81 81 SER C C 13 172.887 0.3 . 1 . . . . . 1850 SER C . 27063 1 260 . 1 1 81 81 SER CA C 13 56.468 0.3 . 1 . . . . . 1850 SER CA . 27063 1 261 . 1 1 81 81 SER CB C 13 63.325 0.3 . 1 . . . . . 1850 SER CB . 27063 1 262 . 1 1 81 81 SER N N 15 119.027 0.3 . 1 . . . . . 1850 SER N . 27063 1 263 . 1 1 82 82 PRO C C 13 176.840 0.3 . 1 . . . . . 1851 PRO C . 27063 1 264 . 1 1 82 82 PRO CA C 13 63.392 0.3 . 1 . . . . . 1851 PRO CA . 27063 1 265 . 1 1 82 82 PRO CB C 13 31.864 0.3 . 1 . . . . . 1851 PRO CB . 27063 1 266 . 1 1 83 83 GLU H H 1 8.544 0.020 . 1 . . . . . 1852 GLU H . 27063 1 267 . 1 1 83 83 GLU C C 13 175.945 0.3 . 1 . . . . . 1852 GLU C . 27063 1 268 . 1 1 83 83 GLU CA C 13 56.535 0.3 . 1 . . . . . 1852 GLU CA . 27063 1 269 . 1 1 83 83 GLU CB C 13 29.780 0.3 . 1 . . . . . 1852 GLU CB . 27063 1 270 . 1 1 83 83 GLU N N 15 120.092 0.3 . 1 . . . . . 1852 GLU N . 27063 1 271 . 1 1 84 84 TYR H H 1 8.160 0.020 . 1 . . . . . 1853 TYR H . 27063 1 272 . 1 1 84 84 TYR C C 13 175.268 0.3 . 1 . . . . . 1853 TYR C . 27063 1 273 . 1 1 84 84 TYR CA C 13 57.813 0.3 . 1 . . . . . 1853 TYR CA . 27063 1 274 . 1 1 84 84 TYR CB C 13 38.788 0.3 . 1 . . . . . 1853 TYR CB . 27063 1 275 . 1 1 84 84 TYR N N 15 121.720 0.3 . 1 . . . . . 1853 TYR N . 27063 1 276 . 1 1 85 85 THR H H 1 8.058 0.020 . 1 . . . . . 1854 THR H . 27063 1 277 . 1 1 85 85 THR C C 13 178.637 0.3 . 1 . . . . . 1854 THR C . 27063 1 278 . 1 1 85 85 THR CA C 13 59.090 0.3 . 1 . . . . . 1854 THR CA . 27063 1 279 . 1 1 85 85 THR CB C 13 69.913 0.3 . 1 . . . . . 1854 THR CB . 27063 1 280 . 1 1 85 85 THR N N 15 120.627 0.3 . 1 . . . . . 1854 THR N . 27063 1 281 . 1 1 88 88 SER H H 1 8.338 0.020 . 1 . . . . . 1857 SER H . 27063 1 282 . 1 1 88 88 SER CA C 13 56.468 0.3 . 1 . . . . . 1857 SER CA . 27063 1 283 . 1 1 88 88 SER CB C 13 63.191 0.3 . 1 . . . . . 1857 SER CB . 27063 1 284 . 1 1 88 88 SER N N 15 119.802 0.3 . 1 . . . . . 1857 SER N . 27063 1 285 . 1 1 92 92 SER H H 1 8.233 0.020 . 1 . . . . . 1861 SER H . 27063 1 286 . 1 1 92 92 SER C C 13 178.870 0.3 . 1 . . . . . 1861 SER C . 27063 1 287 . 1 1 92 92 SER CA C 13 55.460 0.3 . 1 . . . . . 1861 SER CA . 27063 1 288 . 1 1 92 92 SER CB C 13 63.527 0.3 . 1 . . . . . 1861 SER CB . 27063 1 289 . 1 1 92 92 SER N N 15 120.353 0.3 . 1 . . . . . 1861 SER N . 27063 1 290 . 1 1 98 98 TYR H H 1 8.196 0.020 . 1 . . . . . 1867 TYR H . 27063 1 291 . 1 1 98 98 TYR C C 13 175.253 0.3 . 1 . . . . . 1867 TYR C . 27063 1 292 . 1 1 98 98 TYR CA C 13 57.611 0.3 . 1 . . . . . 1867 TYR CA . 27063 1 293 . 1 1 98 98 TYR CB C 13 38.856 0.3 . 1 . . . . . 1867 TYR CB . 27063 1 294 . 1 1 98 98 TYR N N 15 121.524 0.3 . 1 . . . . . 1867 TYR N . 27063 1 295 . 1 1 117 117 PRO C C 13 176.521 0.3 . 1 . . . . . 1886 PRO C . 27063 1 296 . 1 1 117 117 PRO CA C 13 63.056 0.3 . 1 . . . . . 1886 PRO CA . 27063 1 297 . 1 1 117 117 PRO CB C 13 31.999 0.3 . 1 . . . . . 1886 PRO CB . 27063 1 298 . 1 1 118 118 LYS H H 1 8.454 0.020 . 1 . . . . . 1887 LYS H . 27063 1 299 . 1 1 118 118 LYS C C 13 176.131 0.3 . 1 . . . . . 1887 LYS C . 27063 1 300 . 1 1 118 118 LYS CA C 13 56.267 0.3 . 1 . . . . . 1887 LYS CA . 27063 1 301 . 1 1 118 118 LYS CB C 13 32.873 0.3 . 1 . . . . . 1887 LYS CB . 27063 1 302 . 1 1 118 118 LYS N N 15 122.070 0.3 . 1 . . . . . 1887 LYS N . 27063 1 303 . 1 1 119 119 TYR H H 1 8.332 0.020 . 1 . . . . . 1888 TYR H . 27063 1 304 . 1 1 119 119 TYR C C 13 175.221 0.3 . 1 . . . . . 1888 TYR C . 27063 1 305 . 1 1 119 119 TYR CA C 13 57.611 0.3 . 1 . . . . . 1888 TYR CA . 27063 1 306 . 1 1 119 119 TYR CB C 13 38.856 0.3 . 1 . . . . . 1888 TYR CB . 27063 1 307 . 1 1 119 119 TYR N N 15 122.090 0.3 . 1 . . . . . 1888 TYR N . 27063 1 308 . 1 1 120 120 SER H H 1 8.236 0.020 . 1 . . . . . 1889 SER H . 27063 1 309 . 1 1 120 120 SER C C 13 178.801 0.3 . 1 . . . . . 1889 SER C . 27063 1 310 . 1 1 120 120 SER CA C 13 55.410 0.3 . 1 . . . . . 1889 SER CA . 27063 1 311 . 1 1 120 120 SER CB C 13 63.473 0.3 . 1 . . . . . 1889 SER CB . 27063 1 312 . 1 1 120 120 SER N N 15 120.528 0.3 . 1 . . . . . 1889 SER N . 27063 1 313 . 1 1 121 121 PRO C C 13 177.050 0.3 . 1 . . . . . 1890 PRO C . 27063 1 314 . 1 1 121 121 PRO CA C 13 63.123 0.3 . 1 . . . . . 1890 PRO CA . 27063 1 315 . 1 1 121 121 PRO CB C 13 31.999 0.3 . 1 . . . . . 1890 PRO CB . 27063 1 316 . 1 1 122 122 THR H H 1 8.246 0.020 . 1 . . . . . 1891 THR H . 27063 1 317 . 1 1 122 122 THR C C 13 174.475 0.3 . 1 . . . . . 1891 THR C . 27063 1 318 . 1 1 122 122 THR CA C 13 61.712 0.3 . 1 . . . . . 1891 THR CA . 27063 1 319 . 1 1 122 122 THR CB C 13 69.644 0.3 . 1 . . . . . 1891 THR CB . 27063 1 320 . 1 1 122 122 THR N N 15 113.784 0.3 . 1 . . . . . 1891 THR N . 27063 1 321 . 1 1 123 123 SER H H 1 8.198 0.020 . 1 . . . . . 1892 SER H . 27063 1 322 . 1 1 123 123 SER CA C 13 56.535 0.3 . 1 . . . . . 1892 SER CA . 27063 1 323 . 1 1 123 123 SER CB C 13 63.191 0.3 . 1 . . . . . 1892 SER CB . 27063 1 324 . 1 1 123 123 SER N N 15 119.730 0.3 . 1 . . . . . 1892 SER N . 27063 1 325 . 1 1 124 124 PRO C C 13 176.848 0.3 . 1 . . . . . 1893 PRO C . 27063 1 326 . 1 1 124 124 PRO CA C 13 63.267 0.3 . 1 . . . . . 1893 PRO CA . 27063 1 327 . 1 1 124 124 PRO CB C 13 32.014 0.3 . 1 . . . . . 1893 PRO CB . 27063 1 328 . 1 1 125 125 THR H H 1 8.227 0.020 . 1 . . . . . 1894 THR H . 27063 1 329 . 1 1 125 125 THR C C 13 174.031 0.3 . 1 . . . . . 1894 THR C . 27063 1 330 . 1 1 125 125 THR CA C 13 61.749 0.3 . 1 . . . . . 1894 THR CA . 27063 1 331 . 1 1 125 125 THR CB C 13 69.619 0.3 . 1 . . . . . 1894 THR CB . 27063 1 332 . 1 1 125 125 THR N N 15 114.092 0.3 . 1 . . . . . 1894 THR N . 27063 1 333 . 1 1 126 126 TYR H H 1 8.259 0.020 . 1 . . . . . 1895 TYR H . 27063 1 334 . 1 1 126 126 TYR C C 13 175.147 0.3 . 1 . . . . . 1895 TYR C . 27063 1 335 . 1 1 126 126 TYR CA C 13 57.814 0.3 . 1 . . . . . 1895 TYR CA . 27063 1 336 . 1 1 126 126 TYR CB C 13 38.996 0.3 . 1 . . . . . 1895 TYR CB . 27063 1 337 . 1 1 126 126 TYR N N 15 123.486 0.3 . 1 . . . . . 1895 TYR N . 27063 1 338 . 1 1 127 127 SER H H 1 8.236 0.020 . 1 . . . . . 1896 SER H . 27063 1 339 . 1 1 127 127 SER C C 13 178.754 0.3 . 1 . . . . . 1896 SER C . 27063 1 340 . 1 1 127 127 SER CA C 13 55.416 0.3 . 1 . . . . . 1896 SER CA . 27063 1 341 . 1 1 127 127 SER CB C 13 63.499 0.3 . 1 . . . . . 1896 SER CB . 27063 1 342 . 1 1 127 127 SER N N 15 120.616 0.3 . 1 . . . . . 1896 SER N . 27063 1 343 . 1 1 128 128 PRO C C 13 176.995 0.3 . 1 . . . . . 1897 PRO C . 27063 1 344 . 1 1 128 128 PRO CA C 13 63.056 0.3 . 1 . . . . . 1897 PRO CA . 27063 1 345 . 1 1 128 128 PRO CB C 13 31.999 0.3 . 1 . . . . . 1897 PRO CB . 27063 1 346 . 1 1 129 129 THR H H 1 8.201 0.020 . 1 . . . . . 1898 THR H . 27063 1 347 . 1 1 129 129 THR C C 13 174.420 0.3 . 1 . . . . . 1898 THR C . 27063 1 348 . 1 1 129 129 THR CA C 13 61.779 0.3 . 1 . . . . . 1898 THR CA . 27063 1 349 . 1 1 129 129 THR CB C 13 69.711 0.3 . 1 . . . . . 1898 THR CB . 27063 1 350 . 1 1 129 129 THR N N 15 113.622 0.3 . 1 . . . . . 1898 THR N . 27063 1 351 . 1 1 130 130 SER H H 1 8.356 0.020 . 1 . . . . . 1899 SER H . 27063 1 352 . 1 1 130 130 SER CA C 13 56.401 0.3 . 1 . . . . . 1899 SER CA . 27063 1 353 . 1 1 130 130 SER CB C 13 63.191 0.3 . 1 . . . . . 1899 SER CB . 27063 1 354 . 1 1 130 130 SER N N 15 119.851 0.3 . 1 . . . . . 1899 SER N . 27063 1 355 . 1 1 131 131 PRO C C 13 176.442 0.3 . 1 . . . . . 1900 PRO C . 27063 1 356 . 1 1 131 131 PRO CA C 13 63.056 0.3 . 1 . . . . . 1900 PRO CA . 27063 1 357 . 1 1 131 131 PRO CB C 13 31.932 0.3 . 1 . . . . . 1900 PRO CB . 27063 1 358 . 1 1 132 132 VAL H H 1 8.217 0.020 . 1 . . . . . 1901 VAL H . 27063 1 359 . 1 1 132 132 VAL C C 13 175.734 0.3 . 1 . . . . . 1901 VAL C . 27063 1 360 . 1 1 132 132 VAL CA C 13 62.048 0.3 . 1 . . . . . 1901 VAL CA . 27063 1 361 . 1 1 132 132 VAL CB C 13 32.671 0.3 . 1 . . . . . 1901 VAL CB . 27063 1 362 . 1 1 132 132 VAL N N 15 120.505 0.3 . 1 . . . . . 1901 VAL N . 27063 1 363 . 1 1 133 133 TYR H H 1 8.443 0.020 . 1 . . . . . 1902 TYR H . 27063 1 364 . 1 1 133 133 TYR C C 13 175.212 0.3 . 1 . . . . . 1902 TYR C . 27063 1 365 . 1 1 133 133 TYR CA C 13 57.659 0.3 . 1 . . . . . 1902 TYR CA . 27063 1 366 . 1 1 133 133 TYR CB C 13 38.961 0.3 . 1 . . . . . 1902 TYR CB . 27063 1 367 . 1 1 133 133 TYR N N 15 125.559 0.3 . 1 . . . . . 1902 TYR N . 27063 1 368 . 1 1 134 134 THR H H 1 8.158 0.020 . 1 . . . . . 1903 THR H . 27063 1 369 . 1 1 134 134 THR C C 13 178.668 0.3 . 1 . . . . . 1903 THR C . 27063 1 370 . 1 1 134 134 THR CA C 13 59.090 0.3 . 1 . . . . . 1903 THR CA . 27063 1 371 . 1 1 134 134 THR CB C 13 69.779 0.3 . 1 . . . . . 1903 THR CB . 27063 1 372 . 1 1 134 134 THR N N 15 120.829 0.3 . 1 . . . . . 1903 THR N . 27063 1 373 . 1 1 135 135 PRO C C 13 177.004 0.3 . 1 . . . . . 1904 PRO C . 27063 1 374 . 1 1 135 135 PRO CA C 13 63.123 0.3 . 1 . . . . . 1904 PRO CA . 27063 1 375 . 1 1 135 135 PRO CB C 13 32.011 0.3 . 1 . . . . . 1904 PRO CB . 27063 1 376 . 1 1 136 136 THR H H 1 8.177 0.020 . 1 . . . . . 1905 THR H . 27063 1 377 . 1 1 136 136 THR C C 13 174.486 0.3 . 1 . . . . . 1905 THR C . 27063 1 378 . 1 1 136 136 THR CA C 13 61.650 0.3 . 1 . . . . . 1905 THR CA . 27063 1 379 . 1 1 136 136 THR CB C 13 69.600 0.3 . 1 . . . . . 1905 THR CB . 27063 1 380 . 1 1 136 136 THR N N 15 113.285 0.3 . 1 . . . . . 1905 THR N . 27063 1 381 . 1 1 138 138 PRO C C 13 176.653 0.3 . 1 . . . . . 1907 PRO C . 27063 1 382 . 1 1 138 138 PRO CA C 13 63.191 0.3 . 1 . . . . . 1907 PRO CA . 27063 1 383 . 1 1 138 138 PRO CB C 13 31.932 0.3 . 1 . . . . . 1907 PRO CB . 27063 1 384 . 1 1 139 139 LYS H H 1 8.370 0.020 . 1 . . . . . 1908 LYS H . 27063 1 385 . 1 1 139 139 LYS C C 13 176.116 0.3 . 1 . . . . . 1908 LYS C . 27063 1 386 . 1 1 139 139 LYS CA C 13 56.267 0.3 . 1 . . . . . 1908 LYS CA . 27063 1 387 . 1 1 139 139 LYS CB C 13 32.738 0.3 . 1 . . . . . 1908 LYS CB . 27063 1 388 . 1 1 139 139 LYS N N 15 121.272 0.3 . 1 . . . . . 1908 LYS N . 27063 1 389 . 1 1 140 140 TYR H H 1 8.235 0.020 . 1 . . . . . 1909 TYR H . 27063 1 390 . 1 1 140 140 TYR C C 13 175.237 0.3 . 1 . . . . . 1909 TYR C . 27063 1 391 . 1 1 140 140 TYR CA C 13 57.611 0.3 . 1 . . . . . 1909 TYR CA . 27063 1 392 . 1 1 140 140 TYR CB C 13 38.856 0.3 . 1 . . . . . 1909 TYR CB . 27063 1 393 . 1 1 140 140 TYR N N 15 121.743 0.3 . 1 . . . . . 1909 TYR N . 27063 1 394 . 1 1 141 141 SER H H 1 8.200 0.020 . 1 . . . . . 1910 SER H . 27063 1 395 . 1 1 141 141 SER C C 13 178.703 0.3 . 1 . . . . . 1910 SER C . 27063 1 396 . 1 1 141 141 SER CA C 13 55.406 0.3 . 1 . . . . . 1910 SER CA . 27063 1 397 . 1 1 141 141 SER CB C 13 63.479 0.3 . 1 . . . . . 1910 SER CB . 27063 1 398 . 1 1 141 141 SER N N 15 120.484 0.3 . 1 . . . . . 1910 SER N . 27063 1 399 . 1 1 145 145 PRO CA C 13 63.269 0.3 . 1 . . . . . 1914 PRO CA . 27063 1 400 . 1 1 145 145 PRO CB C 13 31.999 0.3 . 1 . . . . . 1914 PRO CB . 27063 1 401 . 1 1 146 146 THR H H 1 8.223 0.020 . 1 . . . . . 1915 THR H . 27063 1 402 . 1 1 146 146 THR C C 13 174.020 0.3 . 1 . . . . . 1915 THR C . 27063 1 403 . 1 1 146 146 THR CA C 13 61.748 0.3 . 1 . . . . . 1915 THR CA . 27063 1 404 . 1 1 146 146 THR CB C 13 69.615 0.3 . 1 . . . . . 1915 THR CB . 27063 1 405 . 1 1 146 146 THR N N 15 114.116 0.3 . 1 . . . . . 1915 THR N . 27063 1 406 . 1 1 147 147 TYR H H 1 8.252 0.020 . 1 . . . . . 1916 TYR H . 27063 1 407 . 1 1 147 147 TYR C C 13 175.124 0.3 . 1 . . . . . 1916 TYR C . 27063 1 408 . 1 1 147 147 TYR CA C 13 57.826 0.3 . 1 . . . . . 1916 TYR CA . 27063 1 409 . 1 1 147 147 TYR CB C 13 39.010 0.3 . 1 . . . . . 1916 TYR CB . 27063 1 410 . 1 1 147 147 TYR N N 15 123.390 0.3 . 1 . . . . . 1916 TYR N . 27063 1 411 . 1 1 148 148 SER H H 1 8.254 0.020 . 1 . . . . . 1917 SER H . 27063 1 412 . 1 1 148 148 SER C C 13 178.924 0.3 . 1 . . . . . 1917 SER C . 27063 1 413 . 1 1 148 148 SER CA C 13 55.393 0.3 . 1 . . . . . 1917 SER CA . 27063 1 414 . 1 1 148 148 SER CB C 13 63.527 0.3 . 1 . . . . . 1917 SER CB . 27063 1 415 . 1 1 148 148 SER N N 15 120.485 0.3 . 1 . . . . . 1917 SER N . 27063 1 416 . 1 1 149 149 PRO C C 13 177.065 0.3 . 1 . . . . . 1918 PRO C . 27063 1 417 . 1 1 149 149 PRO CA C 13 63.258 0.3 . 1 . . . . . 1918 PRO CA . 27063 1 418 . 1 1 149 149 PRO CB C 13 31.932 0.3 . 1 . . . . . 1918 PRO CB . 27063 1 419 . 1 1 150 150 THR H H 1 8.100 0.020 . 1 . . . . . 1919 THR H . 27063 1 420 . 1 1 150 150 THR C C 13 174.435 0.3 . 1 . . . . . 1919 THR C . 27063 1 421 . 1 1 150 150 THR CA C 13 61.510 0.3 . 1 . . . . . 1919 THR CA . 27063 1 422 . 1 1 150 150 THR CB C 13 69.577 0.3 . 1 . . . . . 1919 THR CB . 27063 1 423 . 1 1 150 150 THR N N 15 112.402 0.3 . 1 . . . . . 1919 THR N . 27063 1 424 . 1 1 151 151 SER H H 1 8.236 0.020 . 1 . . . . . 1920 SER H . 27063 1 425 . 1 1 151 151 SER C C 13 172.756 0.3 . 1 . . . . . 1920 SER C . 27063 1 426 . 1 1 151 151 SER CA C 13 56.485 0.3 . 1 . . . . . 1920 SER CA . 27063 1 427 . 1 1 151 151 SER CB C 13 63.209 0.3 . 1 . . . . . 1920 SER CB . 27063 1 428 . 1 1 151 151 SER N N 15 119.739 0.3 . 1 . . . . . 1920 SER N . 27063 1 429 . 1 1 152 152 PRO C C 13 176.691 0.3 . 1 . . . . . 1921 PRO C . 27063 1 430 . 1 1 152 152 PRO CA C 13 63.191 0.3 . 1 . . . . . 1921 PRO CA . 27063 1 431 . 1 1 152 152 PRO CB C 13 31.932 0.3 . 1 . . . . . 1921 PRO CB . 27063 1 432 . 1 1 153 153 LYS H H 1 8.363 0.020 . 1 . . . . . 1922 LYS H . 27063 1 433 . 1 1 153 153 LYS C C 13 176.123 0.3 . 1 . . . . . 1922 LYS C . 27063 1 434 . 1 1 153 153 LYS CA C 13 56.267 0.3 . 1 . . . . . 1922 LYS CA . 27063 1 435 . 1 1 153 153 LYS CB C 13 32.738 0.3 . 1 . . . . . 1922 LYS CB . 27063 1 436 . 1 1 153 153 LYS N N 15 121.144 0.3 . 1 . . . . . 1922 LYS N . 27063 1 437 . 1 1 154 154 TYR H H 1 8.217 0.020 . 1 . . . . . 1923 TYR H . 27063 1 438 . 1 1 154 154 TYR C C 13 175.298 0.3 . 1 . . . . . 1923 TYR C . 27063 1 439 . 1 1 154 154 TYR CA C 13 57.591 0.3 . 1 . . . . . 1923 TYR CA . 27063 1 440 . 1 1 154 154 TYR CB C 13 38.892 0.3 . 1 . . . . . 1923 TYR CB . 27063 1 441 . 1 1 154 154 TYR N N 15 121.691 0.3 . 1 . . . . . 1923 TYR N . 27063 1 442 . 1 1 155 155 SER H H 1 8.178 0.020 . 1 . . . . . 1924 SER H . 27063 1 443 . 1 1 155 155 SER C C 13 178.701 0.3 . 1 . . . . . 1924 SER C . 27063 1 444 . 1 1 155 155 SER CA C 13 55.406 0.3 . 1 . . . . . 1924 SER CA . 27063 1 445 . 1 1 155 155 SER CB C 13 63.499 0.3 . 1 . . . . . 1924 SER CB . 27063 1 446 . 1 1 155 155 SER N N 15 120.415 0.3 . 1 . . . . . 1924 SER N . 27063 1 447 . 1 1 156 156 PRO C C 13 177.096 0.3 . 1 . . . . . 1925 PRO C . 27063 1 448 . 1 1 156 156 PRO CA C 13 63.258 0.3 . 1 . . . . . 1925 PRO CA . 27063 1 449 . 1 1 156 156 PRO CB C 13 31.999 0.3 . 1 . . . . . 1925 PRO CB . 27063 1 450 . 1 1 157 157 THR H H 1 8.158 0.020 . 1 . . . . . 1926 THR H . 27063 1 451 . 1 1 157 157 THR C C 13 174.496 0.3 . 1 . . . . . 1926 THR C . 27063 1 452 . 1 1 157 157 THR CA C 13 61.644 0.3 . 1 . . . . . 1926 THR CA . 27063 1 453 . 1 1 157 157 THR CB C 13 69.644 0.3 . 1 . . . . . 1926 THR CB . 27063 1 454 . 1 1 157 157 THR N N 15 112.891 0.3 . 1 . . . . . 1926 THR N . 27063 1 455 . 1 1 158 158 SER H H 1 8.250 0.020 . 1 . . . . . 1927 SER H . 27063 1 456 . 1 1 158 158 SER C C 13 172.764 0.3 . 1 . . . . . 1927 SER C . 27063 1 457 . 1 1 158 158 SER CA C 13 56.456 0.3 . 1 . . . . . 1927 SER CA . 27063 1 458 . 1 1 158 158 SER CB C 13 63.264 0.3 . 1 . . . . . 1927 SER CB . 27063 1 459 . 1 1 158 158 SER N N 15 119.651 0.3 . 1 . . . . . 1927 SER N . 27063 1 460 . 1 1 159 159 PRO C C 13 176.848 0.3 . 1 . . . . . 1928 PRO C . 27063 1 461 . 1 1 159 159 PRO CA C 13 63.258 0.3 . 1 . . . . . 1928 PRO CA . 27063 1 462 . 1 1 159 159 PRO CB C 13 31.999 0.3 . 1 . . . . . 1928 PRO CB . 27063 1 463 . 1 1 160 160 THR H H 1 8.226 0.020 . 1 . . . . . 1929 THR H . 27063 1 464 . 1 1 160 160 THR C C 13 174.000 0.3 . 1 . . . . . 1929 THR C . 27063 1 465 . 1 1 160 160 THR CA C 13 61.779 0.3 . 1 . . . . . 1929 THR CA . 27063 1 466 . 1 1 160 160 THR CB C 13 69.644 0.3 . 1 . . . . . 1929 THR CB . 27063 1 467 . 1 1 160 160 THR N N 15 114.105 0.3 . 1 . . . . . 1929 THR N . 27063 1 468 . 1 1 161 161 TYR H H 1 8.255 0.020 . 1 . . . . . 1930 TYR H . 27063 1 469 . 1 1 161 161 TYR C C 13 175.131 0.3 . 1 . . . . . 1930 TYR C . 27063 1 470 . 1 1 161 161 TYR CA C 13 57.870 0.3 . 1 . . . . . 1930 TYR CA . 27063 1 471 . 1 1 161 161 TYR CB C 13 38.974 0.3 . 1 . . . . . 1930 TYR CB . 27063 1 472 . 1 1 161 161 TYR N N 15 123.487 0.3 . 1 . . . . . 1930 TYR N . 27063 1 473 . 1 1 162 162 SER H H 1 8.223 0.020 . 1 . . . . . 1931 SER H . 27063 1 474 . 1 1 162 162 SER C C 13 178.676 0.3 . 1 . . . . . 1931 SER C . 27063 1 475 . 1 1 162 162 SER CA C 13 55.393 0.3 . 1 . . . . . 1931 SER CA . 27063 1 476 . 1 1 162 162 SER CB C 13 63.460 0.3 . 1 . . . . . 1931 SER CB . 27063 1 477 . 1 1 162 162 SER N N 15 120.675 0.3 . 1 . . . . . 1931 SER N . 27063 1 478 . 1 1 166 166 PRO C C 13 177.104 0.3 . 1 . . . . . 1935 PRO C . 27063 1 479 . 1 1 166 166 PRO CA C 13 63.191 0.3 . 1 . . . . . 1935 PRO CA . 27063 1 480 . 1 1 166 166 PRO CB C 13 31.999 0.3 . 1 . . . . . 1935 PRO CB . 27063 1 481 . 1 1 167 167 LYS H H 1 8.538 0.020 . 1 . . . . . 1936 LYS H . 27063 1 482 . 1 1 167 167 LYS C C 13 177.299 0.3 . 1 . . . . . 1936 LYS C . 27063 1 483 . 1 1 167 167 LYS CA C 13 56.535 0.3 . 1 . . . . . 1936 LYS CA . 27063 1 484 . 1 1 167 167 LYS CB C 13 32.671 0.3 . 1 . . . . . 1936 LYS CB . 27063 1 485 . 1 1 167 167 LYS N N 15 121.881 0.3 . 1 . . . . . 1936 LYS N . 27063 1 486 . 1 1 168 168 GLY H H 1 8.496 0.020 . 1 . . . . . 1937 GLY H . 27063 1 487 . 1 1 168 168 GLY C C 13 174.143 0.3 . 1 . . . . . 1937 GLY C . 27063 1 488 . 1 1 168 168 GLY CA C 13 44.970 0.3 . 1 . . . . . 1937 GLY CA . 27063 1 489 . 1 1 168 168 GLY N N 15 110.511 0.3 . 1 . . . . . 1937 GLY N . 27063 1 490 . 1 1 169 169 SER H H 1 8.320 0.020 . 1 . . . . . 1938 SER H . 27063 1 491 . 1 1 169 169 SER C C 13 174.770 0.3 . 1 . . . . . 1938 SER C . 27063 1 492 . 1 1 169 169 SER CA C 13 58.325 0.3 . 1 . . . . . 1938 SER CA . 27063 1 493 . 1 1 169 169 SER CB C 13 63.870 0.3 . 1 . . . . . 1938 SER CB . 27063 1 494 . 1 1 169 169 SER N N 15 115.679 0.3 . 1 . . . . . 1938 SER N . 27063 1 495 . 1 1 170 170 THR H H 1 8.296 0.020 . 1 . . . . . 1939 THR H . 27063 1 496 . 1 1 170 170 THR C C 13 174.013 0.3 . 1 . . . . . 1939 THR C . 27063 1 497 . 1 1 170 170 THR CA C 13 61.779 0.3 . 1 . . . . . 1939 THR CA . 27063 1 498 . 1 1 170 170 THR CB C 13 69.644 0.3 . 1 . . . . . 1939 THR CB . 27063 1 499 . 1 1 170 170 THR N N 15 115.983 0.3 . 1 . . . . . 1939 THR N . 27063 1 500 . 1 1 171 171 TYR H H 1 8.310 0.020 . 1 . . . . . 1940 TYR H . 27063 1 501 . 1 1 171 171 TYR C C 13 175.178 0.3 . 1 . . . . . 1940 TYR C . 27063 1 502 . 1 1 171 171 TYR CA C 13 58.003 0.3 . 1 . . . . . 1940 TYR CA . 27063 1 503 . 1 1 171 171 TYR CB C 13 38.845 0.3 . 1 . . . . . 1940 TYR CB . 27063 1 504 . 1 1 171 171 TYR N N 15 123.516 0.3 . 1 . . . . . 1940 TYR N . 27063 1 505 . 1 1 172 172 SER H H 1 8.220 0.020 . 1 . . . . . 1941 SER H . 27063 1 506 . 1 1 172 172 SER C C 13 178.684 0.3 . 1 . . . . . 1941 SER C . 27063 1 507 . 1 1 172 172 SER CA C 13 55.393 0.3 . 1 . . . . . 1941 SER CA . 27063 1 508 . 1 1 172 172 SER CB C 13 63.460 0.3 . 1 . . . . . 1941 SER CB . 27063 1 509 . 1 1 172 172 SER N N 15 120.762 0.3 . 1 . . . . . 1941 SER N . 27063 1 510 . 1 1 173 173 PRO C C 13 177.029 0.3 . 1 . . . . . 1942 PRO C . 27063 1 511 . 1 1 173 173 PRO CA C 13 63.168 0.3 . 1 . . . . . 1942 PRO CA . 27063 1 512 . 1 1 173 173 PRO CB C 13 31.935 0.3 . 1 . . . . . 1942 PRO CB . 27063 1 513 . 1 1 174 174 THR H H 1 8.057 0.020 . 1 . . . . . 1943 THR H . 27063 1 514 . 1 1 174 174 THR C C 13 174.507 0.3 . 1 . . . . . 1943 THR C . 27063 1 515 . 1 1 174 174 THR CA C 13 61.594 0.3 . 1 . . . . . 1943 THR CA . 27063 1 516 . 1 1 174 174 THR CB C 13 69.465 0.3 . 1 . . . . . 1943 THR CB . 27063 1 517 . 1 1 174 174 THR N N 15 112.151 0.3 . 1 . . . . . 1943 THR N . 27063 1 518 . 1 1 175 175 SER H H 1 8.254 0.020 . 1 . . . . . 1944 SER H . 27063 1 519 . 1 1 175 175 SER C C 13 172.764 0.3 . 1 . . . . . 1944 SER C . 27063 1 520 . 1 1 175 175 SER CA C 13 56.468 0.3 . 1 . . . . . 1944 SER CA . 27063 1 521 . 1 1 175 175 SER CB C 13 63.191 0.3 . 1 . . . . . 1944 SER CB . 27063 1 522 . 1 1 175 175 SER N N 15 119.791 0.3 . 1 . . . . . 1944 SER N . 27063 1 523 . 1 1 176 176 PRO C C 13 177.502 0.3 . 1 . . . . . 1945 PRO C . 27063 1 524 . 1 1 176 176 PRO CA C 13 63.609 0.3 . 1 . . . . . 1945 PRO CA . 27063 1 525 . 1 1 176 176 PRO CB C 13 31.746 0.3 . 1 . . . . . 1945 PRO CB . 27063 1 526 . 1 1 177 177 GLY H H 1 8.533 0.020 . 1 . . . . . 1946 GLY H . 27063 1 527 . 1 1 177 177 GLY C C 13 173.582 0.3 . 1 . . . . . 1946 GLY C . 27063 1 528 . 1 1 177 177 GLY CA C 13 44.907 0.3 . 1 . . . . . 1946 GLY CA . 27063 1 529 . 1 1 177 177 GLY N N 15 109.478 0.3 . 1 . . . . . 1946 GLY N . 27063 1 530 . 1 1 178 178 TYR H H 1 7.992 0.020 . 1 . . . . . 1947 TYR H . 27063 1 531 . 1 1 178 178 TYR C C 13 175.384 0.3 . 1 . . . . . 1947 TYR C . 27063 1 532 . 1 1 178 178 TYR CA C 13 58.149 0.3 . 1 . . . . . 1947 TYR CA . 27063 1 533 . 1 1 178 178 TYR CB C 13 38.923 0.3 . 1 . . . . . 1947 TYR CB . 27063 1 534 . 1 1 178 178 TYR N N 15 120.700 0.3 . 1 . . . . . 1947 TYR N . 27063 1 535 . 1 1 179 179 SER H H 1 8.120 0.020 . 1 . . . . . 1948 SER H . 27063 1 536 . 1 1 179 179 SER C C 13 178.629 0.3 . 1 . . . . . 1948 SER C . 27063 1 537 . 1 1 179 179 SER CA C 13 55.333 0.3 . 1 . . . . . 1948 SER CA . 27063 1 538 . 1 1 179 179 SER CB C 13 63.594 0.3 . 1 . . . . . 1948 SER CB . 27063 1 539 . 1 1 179 179 SER N N 15 120.832 0.3 . 1 . . . . . 1948 SER N . 27063 1 540 . 1 1 180 180 PRO C C 13 177.026 0.3 . 1 . . . . . 1949 PRO C . 27063 1 541 . 1 1 180 180 PRO CA C 13 63.056 0.3 . 1 . . . . . 1949 PRO CA . 27063 1 542 . 1 1 180 180 PRO CB C 13 31.999 0.3 . 1 . . . . . 1949 PRO CB . 27063 1 543 . 1 1 181 181 THR H H 1 8.157 0.020 . 1 . . . . . 1950 THR H . 27063 1 544 . 1 1 181 181 THR C C 13 174.488 0.3 . 1 . . . . . 1950 THR C . 27063 1 545 . 1 1 181 181 THR CA C 13 61.644 0.3 . 1 . . . . . 1950 THR CA . 27063 1 546 . 1 1 181 181 THR CB C 13 69.644 0.3 . 1 . . . . . 1950 THR CB . 27063 1 547 . 1 1 181 181 THR N N 15 113.167 0.3 . 1 . . . . . 1950 THR N . 27063 1 548 . 1 1 182 182 SER H H 1 8.269 0.020 . 1 . . . . . 1951 SER H . 27063 1 549 . 1 1 182 182 SER C C 13 172.787 0.3 . 1 . . . . . 1951 SER C . 27063 1 550 . 1 1 182 182 SER CA C 13 56.498 0.3 . 1 . . . . . 1951 SER CA . 27063 1 551 . 1 1 182 182 SER CB C 13 63.263 0.3 . 1 . . . . . 1951 SER CB . 27063 1 552 . 1 1 182 182 SER N N 15 119.768 0.3 . 1 . . . . . 1951 SER N . 27063 1 553 . 1 1 183 183 PRO C C 13 176.899 0.3 . 1 . . . . . 1952 PRO C . 27063 1 554 . 1 1 183 183 PRO CA C 13 63.230 0.3 . 1 . . . . . 1952 PRO CA . 27063 1 555 . 1 1 183 183 PRO CB C 13 32.002 0.3 . 1 . . . . . 1952 PRO CB . 27063 1 556 . 1 1 184 184 THR H H 1 8.206 0.020 . 1 . . . . . 1953 THR H . 27063 1 557 . 1 1 184 184 THR C C 13 174.207 0.3 . 1 . . . . . 1953 THR C . 27063 1 558 . 1 1 184 184 THR CA C 13 61.780 0.3 . 1 . . . . . 1953 THR CA . 27063 1 559 . 1 1 184 184 THR CB C 13 69.716 0.3 . 1 . . . . . 1953 THR CB . 27063 1 560 . 1 1 184 184 THR N N 15 113.858 0.3 . 1 . . . . . 1953 THR N . 27063 1 561 . 1 1 185 185 TYR H H 1 8.158 0.020 . 1 . . . . . 1954 TYR H . 27063 1 562 . 1 1 185 185 TYR C C 13 175.482 0.3 . 1 . . . . . 1954 TYR C . 27063 1 563 . 1 1 185 185 TYR CA C 13 57.891 0.3 . 1 . . . . . 1954 TYR CA . 27063 1 564 . 1 1 185 185 TYR CB C 13 38.876 0.3 . 1 . . . . . 1954 TYR CB . 27063 1 565 . 1 1 185 185 TYR N N 15 122.751 0.3 . 1 . . . . . 1954 TYR N . 27063 1 566 . 1 1 186 186 SER H H 1 8.256 0.020 . 1 . . . . . 1955 SER H . 27063 1 567 . 1 1 186 186 SER C C 13 174.209 0.3 . 1 . . . . . 1955 SER C . 27063 1 568 . 1 1 186 186 SER CA C 13 57.813 0.3 . 1 . . . . . 1955 SER CA . 27063 1 569 . 1 1 186 186 SER CB C 13 63.930 0.3 . 1 . . . . . 1955 SER CB . 27063 1 570 . 1 1 186 186 SER N N 15 117.719 0.3 . 1 . . . . . 1955 SER N . 27063 1 571 . 1 1 187 187 LEU H H 1 8.400 0.020 . 1 . . . . . 1956 LEU H . 27063 1 572 . 1 1 187 187 LEU C C 13 177.656 0.3 . 1 . . . . . 1956 LEU C . 27063 1 573 . 1 1 187 187 LEU CA C 13 55.422 0.3 . 1 . . . . . 1956 LEU CA . 27063 1 574 . 1 1 187 187 LEU CB C 13 42.175 0.3 . 1 . . . . . 1956 LEU CB . 27063 1 575 . 1 1 187 187 LEU N N 15 124.450 0.3 . 1 . . . . . 1956 LEU N . 27063 1 576 . 1 1 188 188 THR H H 1 8.162 0.020 . 1 . . . . . 1957 THR H . 27063 1 577 . 1 1 188 188 THR C C 13 174.257 0.3 . 1 . . . . . 1957 THR C . 27063 1 578 . 1 1 188 188 THR CA C 13 61.577 0.3 . 1 . . . . . 1957 THR CA . 27063 1 579 . 1 1 188 188 THR CB C 13 69.711 0.3 . 1 . . . . . 1957 THR CB . 27063 1 580 . 1 1 188 188 THR N N 15 114.093 0.3 . 1 . . . . . 1957 THR N . 27063 1 581 . 1 1 189 189 SER H H 1 8.328 0.020 . 1 . . . . . 1958 SER H . 27063 1 582 . 1 1 189 189 SER C C 13 178.723 0.3 . 1 . . . . . 1958 SER C . 27063 1 583 . 1 1 189 189 SER CA C 13 56.468 0.3 . 1 . . . . . 1958 SER CA . 27063 1 584 . 1 1 189 189 SER CB C 13 63.191 0.3 . 1 . . . . . 1958 SER CB . 27063 1 585 . 1 1 189 189 SER N N 15 119.903 0.3 . 1 . . . . . 1958 SER N . 27063 1 586 . 1 1 190 190 PRO C C 13 176.396 0.3 . 1 . . . . . 1959 PRO C . 27063 1 587 . 1 1 190 190 PRO CA C 13 62.989 0.3 . 1 . . . . . 1959 PRO CA . 27063 1 588 . 1 1 190 190 PRO CB C 13 31.864 0.3 . 1 . . . . . 1959 PRO CB . 27063 1 589 . 1 1 191 191 ALA H H 1 8.462 0.020 . 1 . . . . . 1960 ALA H . 27063 1 590 . 1 1 191 191 ALA C C 13 177.594 0.3 . 1 . . . . . 1960 ALA C . 27063 1 591 . 1 1 191 191 ALA CA C 13 52.300 0.3 . 1 . . . . . 1960 ALA CA . 27063 1 592 . 1 1 191 191 ALA CB C 13 18.890 0.3 . 1 . . . . . 1960 ALA CB . 27063 1 593 . 1 1 191 191 ALA N N 15 124.751 0.3 . 1 . . . . . 1960 ALA N . 27063 1 594 . 1 1 192 192 ILE H H 1 8.264 0.020 . 1 . . . . . 1961 ILE H . 27063 1 595 . 1 1 192 192 ILE C C 13 176.178 0.3 . 1 . . . . . 1961 ILE C . 27063 1 596 . 1 1 192 192 ILE CA C 13 60.502 0.3 . 1 . . . . . 1961 ILE CA . 27063 1 597 . 1 1 192 192 ILE CB C 13 38.654 0.3 . 1 . . . . . 1961 ILE CB . 27063 1 598 . 1 1 192 192 ILE N N 15 121.052 0.3 . 1 . . . . . 1961 ILE N . 27063 1 599 . 1 1 193 193 SER H H 1 8.680 0.020 . 1 . . . . . 1962 SER H . 27063 1 600 . 1 1 193 193 SER C C 13 172.989 0.3 . 1 . . . . . 1962 SER C . 27063 1 601 . 1 1 193 193 SER CA C 13 55.930 0.3 . 1 . . . . . 1962 SER CA . 27063 1 602 . 1 1 193 193 SER CB C 13 63.325 0.3 . 1 . . . . . 1962 SER CB . 27063 1 603 . 1 1 193 193 SER N N 15 122.472 0.3 . 1 . . . . . 1962 SER N . 27063 1 604 . 1 1 194 194 PRO C C 13 176.645 0.3 . 1 . . . . . 1963 PRO C . 27063 1 605 . 1 1 194 194 PRO CA C 13 63.258 0.3 . 1 . . . . . 1963 PRO CA . 27063 1 606 . 1 1 194 194 PRO CB C 13 31.932 0.3 . 1 . . . . . 1963 PRO CB . 27063 1 607 . 1 1 195 195 ASP H H 1 8.395 0.020 . 1 . . . . . 1964 ASP H . 27063 1 608 . 1 1 195 195 ASP C C 13 176.038 0.3 . 1 . . . . . 1964 ASP C . 27063 1 609 . 1 1 195 195 ASP CA C 13 54.250 0.3 . 1 . . . . . 1964 ASP CA . 27063 1 610 . 1 1 195 195 ASP CB C 13 40.940 0.3 . 1 . . . . . 1964 ASP CB . 27063 1 611 . 1 1 195 195 ASP N N 15 120.136 0.3 . 1 . . . . . 1964 ASP N . 27063 1 612 . 1 1 196 196 ASP H H 1 8.263 0.020 . 1 . . . . . 1965 ASP H . 27063 1 613 . 1 1 196 196 ASP C C 13 176.357 0.3 . 1 . . . . . 1965 ASP C . 27063 1 614 . 1 1 196 196 ASP CA C 13 54.250 0.3 . 1 . . . . . 1965 ASP CA . 27063 1 615 . 1 1 196 196 ASP CB C 13 40.940 0.3 . 1 . . . . . 1965 ASP CB . 27063 1 616 . 1 1 196 196 ASP N N 15 121.309 0.3 . 1 . . . . . 1965 ASP N . 27063 1 617 . 1 1 197 197 SER H H 1 8.319 0.020 . 1 . . . . . 1966 SER H . 27063 1 618 . 1 1 197 197 SER C C 13 174.404 0.3 . 1 . . . . . 1966 SER C . 27063 1 619 . 1 1 197 197 SER CA C 13 58.485 0.3 . 1 . . . . . 1966 SER CA . 27063 1 620 . 1 1 197 197 SER CB C 13 63.930 0.3 . 1 . . . . . 1966 SER CB . 27063 1 621 . 1 1 197 197 SER N N 15 116.118 0.3 . 1 . . . . . 1966 SER N . 27063 1 622 . 1 1 198 198 ASP H H 1 8.510 0.020 . 1 . . . . . 1967 ASP H . 27063 1 623 . 1 1 198 198 ASP C C 13 176.248 0.3 . 1 . . . . . 1967 ASP C . 27063 1 624 . 1 1 198 198 ASP CA C 13 54.250 0.3 . 1 . . . . . 1967 ASP CA . 27063 1 625 . 1 1 198 198 ASP CB C 13 40.940 0.3 . 1 . . . . . 1967 ASP CB . 27063 1 626 . 1 1 198 198 ASP N N 15 122.924 0.3 . 1 . . . . . 1967 ASP N . 27063 1 627 . 1 1 199 199 GLU H H 1 8.338 0.020 . 1 . . . . . 1968 GLU H . 27063 1 628 . 1 1 199 199 GLU C C 13 176.384 0.3 . 1 . . . . . 1968 GLU C . 27063 1 629 . 1 1 199 199 GLU CA C 13 56.468 0.3 . 1 . . . . . 1968 GLU CA . 27063 1 630 . 1 1 199 199 GLU CB C 13 30.251 0.3 . 1 . . . . . 1968 GLU CB . 27063 1 631 . 1 1 199 199 GLU N N 15 121.015 0.3 . 1 . . . . . 1968 GLU N . 27063 1 632 . 1 1 200 200 GLU H H 1 8.511 0.020 . 1 . . . . . 1969 GLU H . 27063 1 633 . 1 1 200 200 GLU C C 13 175.439 0.3 . 1 . . . . . 1969 GLU C . 27063 1 634 . 1 1 200 200 GLU CA C 13 56.406 0.3 . 1 . . . . . 1969 GLU CA . 27063 1 635 . 1 1 200 200 GLU CB C 13 30.010 0.3 . 1 . . . . . 1969 GLU CB . 27063 1 636 . 1 1 200 200 GLU N N 15 122.302 0.3 . 1 . . . . . 1969 GLU N . 27063 1 637 . 1 1 201 201 ASN H H 1 8.156 0.020 . 1 . . . . . 1970 ASN H . 27063 1 638 . 1 1 201 201 ASN C C 13 173.167 0.3 . 1 . . . . . 1970 ASN C . 27063 1 639 . 1 1 201 201 ASN CA C 13 54.586 0.3 . 1 . . . . . 1970 ASN CA . 27063 1 640 . 1 1 201 201 ASN CB C 13 40.335 0.3 . 1 . . . . . 1970 ASN CB . 27063 1 641 . 1 1 201 201 ASN N N 15 125.472 0.3 . 1 . . . . . 1970 ASN N . 27063 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 27063 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 850 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 10 '1H 15N het NOE' . . . 27063 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 6 6 ASN N N 15 . 1 1 6 6 ASN H H 1 0.3803 0.0215546330749294 . . . 1775 ASN N . 1775 ASN H 27063 1 2 . 1 1 7 7 TYR N N 15 . 1 1 7 7 TYR H H 1 0.4091 0.0113254174101582 . . . 1776 TYR N . 1776 TYR H 27063 1 3 . 1 1 8 8 THR N N 15 . 1 1 8 8 THR H H 1 0.4316 0.0116224943428412 . . . 1777 THR N . 1777 THR H 27063 1 4 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 0.4356 0.0134084416343127 . . . 1780 SER N . 1780 SER H 27063 1 5 . 1 1 13 13 ASN N N 15 . 1 1 13 13 ASN H H 1 0.4340 0.0208583668598348 . . . 1782 ASN N . 1782 ASN H 27063 1 6 . 1 1 14 14 TYR N N 15 . 1 1 14 14 TYR H H 1 0.4635 0.0139436100678466 . . . 1783 TYR N . 1783 TYR H 27063 1 7 . 1 1 38 38 SER N N 15 . 1 1 38 38 SER H H 1 0.3708 0.0335989837467239 . . . 1807 SER N . 1807 SER H 27063 1 8 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.4089 0.0249745495574166 . . . 1808 SER N . 1808 SER H 27063 1 9 . 1 1 41 41 ARG N N 15 . 1 1 41 41 ARG H H 1 0.4338 0.019490658631995 . . . 1810 ARG N . 1810 ARG H 27063 1 10 . 1 1 42 42 TYR N N 15 . 1 1 42 42 TYR H H 1 0.5346 0.0197095615572402 . . . 1811 TYR N . 1811 TYR H 27063 1 11 . 1 1 43 43 THR N N 15 . 1 1 43 43 THR H H 1 0.5375 0.0188977398778047 . . . 1812 THR N . 1812 THR H 27063 1 12 . 1 1 45 45 GLN N N 15 . 1 1 45 45 GLN H H 1 0.4720 0.0178892956401858 . . . 1814 GLN N . 1814 GLN H 27063 1 13 . 1 1 49 49 TYR N N 15 . 1 1 49 49 TYR H H 1 0.4523 0.0173209002040085 . . . 1818 TYR N . 1818 TYR H 27063 1 14 . 1 1 50 50 THR N N 15 . 1 1 50 50 THR H H 1 0.3673 0.0192540763946153 . . . 1819 THR N . 1819 THR H 27063 1 15 . 1 1 52 52 SER N N 15 . 1 1 52 52 SER H H 1 0.3975 0.0301416374365984 . . . 1821 SER N . 1821 SER H 27063 1 16 . 1 1 53 53 SER N N 15 . 1 1 53 53 SER H H 1 0.3786 0.021872502753618 . . . 1822 SER N . 1822 SER H 27063 1 17 . 1 1 60 60 SER N N 15 . 1 1 60 60 SER H H 1 0.3710 0.0217287542752297 . . . 1829 SER N . 1829 SER H 27063 1 18 . 1 1 66 66 ALA N N 15 . 1 1 66 66 ALA H H 1 0.4507 0.0139057993316299 . . . 1835 ALA N . 1835 ALA H 27063 1 19 . 1 1 67 67 SER N N 15 . 1 1 67 67 SER H H 1 0.3649 0.0154938288471063 . . . 1836 SER N . 1836 SER H 27063 1 20 . 1 1 70 70 TYR N N 15 . 1 1 70 70 TYR H H 1 0.5281 0.0215720643580371 . . . 1839 TYR N . 1839 TYR H 27063 1 21 . 1 1 71 71 THR N N 15 . 1 1 71 71 THR H H 1 0.4651 0.0187547919528394 . . . 1840 THR N . 1840 THR H 27063 1 22 . 1 1 74 74 SER N N 15 . 1 1 74 74 SER H H 1 0.3662 0.0159414142522272 . . . 1843 SER N . 1843 SER H 27063 1 23 . 1 1 81 81 SER N N 15 . 1 1 81 81 SER H H 1 0.4517 0.0189368796349062 . . . 1850 SER N . 1850 SER H 27063 1 24 . 1 1 83 83 GLU N N 15 . 1 1 83 83 GLU H H 1 0.4701 0.0146022946797688 . . . 1852 GLU N . 1852 GLU H 27063 1 25 . 1 1 84 84 TYR N N 15 . 1 1 84 84 TYR H H 1 0.4491 0.0166295545675045 . . . 1853 TYR N . 1853 TYR H 27063 1 26 . 1 1 85 85 THR N N 15 . 1 1 85 85 THR H H 1 0.5012 0.0185358554306638 . . . 1854 THR N . 1854 THR H 27063 1 27 . 1 1 118 118 LYS N N 15 . 1 1 118 118 LYS H H 1 0.4106 0.0143746016594037 . . . 1887 LYS N . 1887 LYS H 27063 1 28 . 1 1 119 119 TYR N N 15 . 1 1 119 119 TYR H H 1 0.4826 0.0177056745965121 . . . 1888 TYR N . 1888 TYR H 27063 1 29 . 1 1 122 122 THR N N 15 . 1 1 122 122 THR H H 1 0.4116 0.020769654821173 . . . 1891 THR N . 1891 THR H 27063 1 30 . 1 1 123 123 SER N N 15 . 1 1 123 123 SER H H 1 0.3762 0.019071356619299 . . . 1892 SER N . 1892 SER H 27063 1 31 . 1 1 133 133 TYR N N 15 . 1 1 133 133 TYR H H 1 0.4573 0.0176509463373314 . . . 1902 TYR N . 1902 TYR H 27063 1 32 . 1 1 134 134 THR N N 15 . 1 1 134 134 THR H H 1 0.4131 0.0200268106751124 . . . 1903 THR N . 1903 THR H 27063 1 33 . 1 1 140 140 TYR N N 15 . 1 1 140 140 TYR H H 1 0.4474 0.0189559385453132 . . . 1909 TYR N . 1909 TYR H 27063 1 34 . 1 1 150 150 THR N N 15 . 1 1 150 150 THR H H 1 0.4682 0.0203967465847343 . . . 1919 THR N . 1919 THR H 27063 1 35 . 1 1 157 157 THR N N 15 . 1 1 157 157 THR H H 1 0.4113 0.0227093656626564 . . . 1926 THR N . 1926 THR H 27063 1 36 . 1 1 167 167 LYS N N 15 . 1 1 167 167 LYS H H 1 0.4414 0.016478787134749 . . . 1936 LYS N . 1936 LYS H 27063 1 37 . 1 1 168 168 GLY N N 15 . 1 1 168 168 GLY H H 1 0.4057 0.0333216428595822 . . . 1937 GLY N . 1937 GLY H 27063 1 38 . 1 1 169 169 SER N N 15 . 1 1 169 169 SER H H 1 0.4547 0.0298890863517455 . . . 1938 SER N . 1938 SER H 27063 1 39 . 1 1 170 170 THR N N 15 . 1 1 170 170 THR H H 1 0.3553 0.038750415439072 . . . 1939 THR N . 1939 THR H 27063 1 40 . 1 1 171 171 TYR N N 15 . 1 1 171 171 TYR H H 1 0.5080 0.0148540178396269 . . . 1940 TYR N . 1940 TYR H 27063 1 41 . 1 1 174 174 THR N N 15 . 1 1 174 174 THR H H 1 0.4963 0.0201131832908935 . . . 1943 THR N . 1943 THR H 27063 1 42 . 1 1 177 177 GLY N N 15 . 1 1 177 177 GLY H H 1 0.4376 0.0291754206295931 . . . 1946 GLY N . 1946 GLY H 27063 1 43 . 1 1 178 178 TYR N N 15 . 1 1 178 178 TYR H H 1 0.4865 0.0142637432814394 . . . 1947 TYR N . 1947 TYR H 27063 1 44 . 1 1 179 179 SER N N 15 . 1 1 179 179 SER H H 1 0.4679 0.0175781974187574 . . . 1948 SER N . 1948 SER H 27063 1 45 . 1 1 181 181 THR N N 15 . 1 1 181 181 THR H H 1 0.4123 0.023870736316012 . . . 1950 THR N . 1950 THR H 27063 1 46 . 1 1 185 185 TYR N N 15 . 1 1 185 185 TYR H H 1 0.4170 0.0163443161911247 . . . 1954 TYR N . 1954 TYR H 27063 1 47 . 1 1 186 186 SER N N 15 . 1 1 186 186 SER H H 1 0.4498 0.0262153881619057 . . . 1955 SER N . 1955 SER H 27063 1 48 . 1 1 187 187 LEU N N 15 . 1 1 187 187 LEU H H 1 0.3723 0.0196959119980009 . . . 1956 LEU N . 1956 LEU H 27063 1 49 . 1 1 188 188 THR N N 15 . 1 1 188 188 THR H H 1 0.3484 0.0183750897220587 . . . 1957 THR N . 1957 THR H 27063 1 50 . 1 1 191 191 ALA N N 15 . 1 1 191 191 ALA H H 1 0.3328 0.00931966698753572 . . . 1960 ALA N . 1960 ALA H 27063 1 51 . 1 1 192 192 ILE N N 15 . 1 1 192 192 ILE H H 1 0.3679 0.0125815356690956 . . . 1961 ILE N . 1961 ILE H 27063 1 52 . 1 1 193 193 SER N N 15 . 1 1 193 193 SER H H 1 0.3258 0.0126540738153763 . . . 1962 SER N . 1962 SER H 27063 1 53 . 1 1 195 195 ASP N N 15 . 1 1 195 195 ASP H H 1 0.3588 0.00909569421562525 . . . 1964 ASP N . 1964 ASP H 27063 1 54 . 1 1 196 196 ASP N N 15 . 1 1 196 196 ASP H H 1 0.4967 0.00909059509077575 . . . 1965 ASP N . 1965 ASP H 27063 1 55 . 1 1 197 197 SER N N 15 . 1 1 197 197 SER H H 1 0.4629 0.00732808094732783 . . . 1966 SER N . 1966 SER H 27063 1 56 . 1 1 198 198 ASP N N 15 . 1 1 198 198 ASP H H 1 0.4925 0.00707360079189117 . . . 1967 ASP N . 1967 ASP H 27063 1 57 . 1 1 199 199 GLU N N 15 . 1 1 199 199 GLU H H 1 0.3807 0.00636155045466077 . . . 1968 GLU N . 1968 GLU H 27063 1 58 . 1 1 200 200 GLU N N 15 . 1 1 200 200 GLU H H 1 0.3588 0.0056647004265127 . . . 1969 GLU N . 1969 GLU H 27063 1 59 . 1 1 201 201 ASN N N 15 . 1 1 201 201 ASN H H 1 -0.3674 0.00525680620661726 . . . 1970 ASN N . 1970 ASN H 27063 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 27063 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 850 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'R1 in s-1' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 9 '15N R1' . . . 27063 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 6 6 ASN N N 15 1.40872848167244 0.0164837217355536 . . 1775 ASN N 27063 1 2 . 1 1 7 7 TYR N N 15 1.43165972311701 0.0073921144082818 . . 1776 TYR N 27063 1 3 . 1 1 8 8 THR N N 15 1.48729847105717 0.00759452599699206 . . 1777 THR N 27063 1 4 . 1 1 11 11 SER N N 15 1.35814206165965 0.00876917276508027 . . 1780 SER N 27063 1 5 . 1 1 13 13 ASN N N 15 1.348199479595 0.0139643230541624 . . 1782 ASN N 27063 1 6 . 1 1 14 14 TYR N N 15 1.36694187763136 0.00848596639236843 . . 1783 TYR N 27063 1 7 . 1 1 38 38 SER N N 15 1.24917242326958 0.0198051361312557 . . 1807 SER N 27063 1 8 . 1 1 39 39 SER N N 15 1.23421744442936 0.0133390602117378 . . 1808 SER N 27063 1 9 . 1 1 41 41 ARG N N 15 1.32823291892466 0.0107878605354013 . . 1810 ARG N 27063 1 10 . 1 1 42 42 TYR N N 15 1.37532664007702 0.0114891518162945 . . 1811 TYR N 27063 1 11 . 1 1 43 43 THR N N 15 1.33198358996217 0.0110437144544409 . . 1812 THR N 27063 1 12 . 1 1 45 45 GLN N N 15 1.27594962550878 0.00985587892171513 . . 1814 GLN N 27063 1 13 . 1 1 49 49 TYR N N 15 1.32074225714852 0.00965621715051213 . . 1818 TYR N 27063 1 14 . 1 1 50 50 THR N N 15 1.33561277914307 0.00970500375169792 . . 1819 THR N 27063 1 15 . 1 1 52 52 SER N N 15 1.20310883322505 0.0166309474901287 . . 1821 SER N 27063 1 16 . 1 1 53 53 SER N N 15 1.2479253241486 0.0130678567785725 . . 1822 SER N 27063 1 17 . 1 1 60 60 SER N N 15 1.2299366582621 0.0124930621477284 . . 1829 SER N 27063 1 18 . 1 1 66 66 ALA N N 15 1.31483794622313 0.00759169027138085 . . 1835 ALA N 27063 1 19 . 1 1 67 67 SER N N 15 1.21193024129531 0.0079102694372728 . . 1836 SER N 27063 1 20 . 1 1 70 70 TYR N N 15 1.35703623286742 0.0116105600441416 . . 1839 TYR N 27063 1 21 . 1 1 71 71 THR N N 15 1.32761573490169 0.0105200786574529 . . 1840 THR N 27063 1 22 . 1 1 74 74 SER N N 15 1.26144763730858 0.0100767271326865 . . 1843 SER N 27063 1 23 . 1 1 81 81 SER N N 15 1.2441060475995 0.0107113532545564 . . 1850 SER N 27063 1 24 . 1 1 83 83 GLU N N 15 1.36763358361028 0.00745873665037244 . . 1852 GLU N 27063 1 25 . 1 1 84 84 TYR N N 15 1.39047248254957 0.0090267486355271 . . 1853 TYR N 27063 1 26 . 1 1 85 85 THR N N 15 1.34367063945286 0.0103048627975852 . . 1854 THR N 27063 1 27 . 1 1 118 118 LYS N N 15 1.35803139768591 0.00808807437994785 . . 1887 LYS N 27063 1 28 . 1 1 119 119 TYR N N 15 1.34867223218741 0.0100697575190309 . . 1888 TYR N 27063 1 29 . 1 1 122 122 THR N N 15 1.23748592359762 0.0119946048726693 . . 1891 THR N 27063 1 30 . 1 1 129 129 THR N N 15 1.25631297268776 0.00851076147665086 . . 1898 THR N 27063 1 31 . 1 1 130 130 SER N N 15 1.20770029709427 0.00959834436392404 . . 1899 SER N 27063 1 32 . 1 1 133 133 TYR N N 15 1.3550502723651 0.00968172293039116 . . 1902 TYR N 27063 1 33 . 1 1 134 134 THR N N 15 1.33086679354263 0.0106605890435352 . . 1903 THR N 27063 1 34 . 1 1 157 157 THR N N 15 1.30917469627147 0.013225910445928 . . 1926 THR N 27063 1 35 . 1 1 167 167 LYS N N 15 1.37153515930381 0.0108719681661551 . . 1936 LYS N 27063 1 36 . 1 1 168 168 GLY N N 15 1.30142245474303 0.0238690099823455 . . 1937 GLY N 27063 1 37 . 1 1 169 169 SER N N 15 1.22524995099 0.019568492240053 . . 1938 SER N 27063 1 38 . 1 1 170 170 THR N N 15 1.26924492619341 0.027558324114259 . . 1939 THR N 27063 1 39 . 1 1 171 171 TYR N N 15 1.38171166440987 0.0094715174097022 . . 1940 TYR N 27063 1 40 . 1 1 174 174 THR N N 15 1.3603776408331 0.0119853294105075 . . 1943 THR N 27063 1 41 . 1 1 177 177 GLY N N 15 1.31257711390544 0.0186635091684193 . . 1946 GLY N 27063 1 42 . 1 1 178 178 TYR N N 15 1.41765548136492 0.00744399770421778 . . 1947 TYR N 27063 1 43 . 1 1 179 179 SER N N 15 1.3675026666302 0.0113900163585112 . . 1948 SER N 27063 1 44 . 1 1 181 181 THR N N 15 1.2956388795315 0.0134550952194838 . . 1950 THR N 27063 1 45 . 1 1 185 185 TYR N N 15 1.41131308569493 0.0100687902931964 . . 1954 TYR N 27063 1 46 . 1 1 186 186 SER N N 15 1.35976720785402 0.0167892645493311 . . 1955 SER N 27063 1 47 . 1 1 187 187 LEU N N 15 1.42541515216307 0.0119808612190893 . . 1956 LEU N 27063 1 48 . 1 1 188 188 THR N N 15 1.33750635315518 0.0105729910203987 . . 1957 THR N 27063 1 49 . 1 1 191 191 ALA N N 15 1.44381397900694 0.00518964263270738 . . 1960 ALA N 27063 1 50 . 1 1 192 192 ILE N N 15 1.39616055846422 0.00513465870500607 . . 1961 ILE N 27063 1 51 . 1 1 193 193 SER N N 15 1.45602795573675 0.00697824989667239 . . 1962 SER N 27063 1 52 . 1 1 195 195 ASP N N 15 1.5158864904196 0.00523334583489454 . . 1964 ASP N 27063 1 53 . 1 1 196 196 ASP N N 15 1.5504597113044 0.00518064393540718 . . 1965 ASP N 27063 1 54 . 1 1 197 197 SER N N 15 1.54681433587526 0.0045406330681601 . . 1966 SER N 27063 1 55 . 1 1 198 198 ASP N N 15 1.62482736209278 0.00536244905788363 . . 1967 ASP N 27063 1 56 . 1 1 199 199 GLU N N 15 1.5673244204818 0.0035458636477963 . . 1968 GLU N 27063 1 57 . 1 1 200 200 GLU N N 15 1.51984923095629 0.00340020129056606 . . 1969 GLU N 27063 1 58 . 1 1 201 201 ASN N N 15 1.21860567139079 0.00203949084454358 . . 1970 ASN N 27063 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 27063 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 850 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'in phase component CPMG (555 Hz) derived R2 using bruker tc expt' _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 8 '15N R2' . . . 27063 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 6 6 ASN N N 15 4.65484336452078 0.0358763748253015 . . . . 1775 ASN N 27063 1 2 . 1 1 7 7 TYR N N 15 5.15756356697096 0.0227657693583971 . . . . 1776 TYR N 27063 1 3 . 1 1 8 8 THR N N 15 6.14854894244958 0.0262661233829009 . . . . 1777 THR N 27063 1 4 . 1 1 11 11 SER N N 15 6.23830318153462 0.0306718303936693 . . . . 1780 SER N 27063 1 5 . 1 1 13 13 ASN N N 15 6.41807329439702 0.0490063599763735 . . . . 1782 ASN N 27063 1 6 . 1 1 14 14 TYR N N 15 6.31153749053269 0.032435383146816 . . . . 1783 TYR N 27063 1 7 . 1 1 38 38 SER N N 15 7.81921964187974 0.114089785747852 . . . . 1807 SER N 27063 1 8 . 1 1 39 39 SER N N 15 7.64467548352572 0.0703618958303789 . . . . 1808 SER N 27063 1 9 . 1 1 41 41 ARG N N 15 8.49401172173618 0.0775613419240404 . . . . 1810 ARG N 27063 1 10 . 1 1 42 42 TYR N N 15 8.57927247769389 0.086073590232024 . . . . 1811 TYR N 27063 1 11 . 1 1 43 43 THR N N 15 8.78966335589347 0.0873185412773463 . . . . 1812 THR N 27063 1 12 . 1 1 45 45 GLN N N 15 8.30357884248111 0.0735038049785821 . . . . 1814 GLN N 27063 1 13 . 1 1 49 49 TYR N N 15 7.52388834549695 0.0599931760723651 . . . . 1818 TYR N 27063 1 14 . 1 1 50 50 THR N N 15 8.00704620065658 0.0649690909691891 . . . . 1819 THR N 27063 1 15 . 1 1 52 52 SER N N 15 7.52275633792221 0.0943761163940335 . . . . 1821 SER N 27063 1 16 . 1 1 53 53 SER N N 15 7.02296509586347 0.0597797794164725 . . . . 1822 SER N 27063 1 17 . 1 1 60 60 SER N N 15 6.7258541834813 0.0507516179709233 . . . . 1829 SER N 27063 1 18 . 1 1 66 66 ALA N N 15 7.0997515086972 0.0402802216038136 . . . . 1835 ALA N 27063 1 19 . 1 1 67 67 SER N N 15 6.78886625933469 0.0399072970318501 . . . . 1836 SER N 27063 1 20 . 1 1 70 70 TYR N N 15 8.19269211863018 0.080426698247642 . . . . 1839 TYR N 27063 1 21 . 1 1 71 71 THR N N 15 8.34445927903872 0.0766784503530733 . . . . 1840 THR N 27063 1 22 . 1 1 74 74 SER N N 15 7.55686541222701 0.0589792001721952 . . . . 1843 SER N 27063 1 23 . 1 1 81 81 SER N N 15 7.58898079987858 0.060969704941658 . . . . 1850 SER N 27063 1 24 . 1 1 83 83 GLU N N 15 8.5404389785635 0.058559702436094 . . . . 1852 GLU N 27063 1 25 . 1 1 84 84 TYR N N 15 8.18062827225131 0.0628864722640348 . . . . 1853 TYR N 27063 1 26 . 1 1 85 85 THR N N 15 8.92379082634303 0.0837169313730257 . . . . 1854 THR N 27063 1 27 . 1 1 118 118 LYS N N 15 7.15000715000715 0.0415626042641035 . . . . 1887 LYS N 27063 1 28 . 1 1 119 119 TYR N N 15 7.97066794197354 0.0667349159661708 . . . . 1888 TYR N 27063 1 29 . 1 1 122 122 THR N N 15 7.32547066149 0.0626128031665161 . . . . 1891 THR N 27063 1 30 . 1 1 123 123 SER N N 15 7.40850496369833 0.0484681152120352 . . . . 1892 SER N 27063 1 31 . 1 1 133 133 TYR N N 15 8.24878330446259 0.0721726069525115 . . . . 1902 TYR N 27063 1 32 . 1 1 134 134 THR N N 15 8.94774516821761 0.0839733239550515 . . . . 1903 THR N 27063 1 33 . 1 1 140 140 TYR N N 15 8.17394147457904 0.0756107809722888 . . . . 1909 TYR N 27063 1 34 . 1 1 150 150 THR N N 15 8.66400970369087 0.096769339824796 . . . . 1919 THR N 27063 1 35 . 1 1 157 157 THR N N 15 6.72359308814631 0.0555715560695758 . . . . 1926 THR N 27063 1 36 . 1 1 167 167 LYS N N 15 5.75738384478093 0.0385987278586688 . . . . 1936 LYS N 27063 1 37 . 1 1 168 168 GLY N N 15 5.32453011021777 0.0738107636980381 . . . . 1937 GLY N 27063 1 38 . 1 1 169 169 SER N N 15 5.46746856205577 0.0624221562438567 . . . . 1938 SER N 27063 1 39 . 1 1 170 170 THR N N 15 5.40306894315971 0.0817477131315067 . . . . 1939 THR N 27063 1 40 . 1 1 171 171 TYR N N 15 6.20809535634467 0.0364496433140618 . . . . 1940 TYR N 27063 1 41 . 1 1 174 174 THR N N 15 6.90750846169786 0.0538171974700603 . . . . 1943 THR N 27063 1 42 . 1 1 177 177 GLY N N 15 5.98659003831418 0.0651438136930933 . . . . 1946 GLY N 27063 1 43 . 1 1 178 178 TYR N N 15 6.43542055473325 0.0292171336778058 . . . . 1947 TYR N 27063 1 44 . 1 1 179 179 SER N N 15 6.4998375040624 0.0441597526939512 . . . . 1948 SER N 27063 1 45 . 1 1 181 181 THR N N 15 6.56512605042017 0.0546855894594307 . . . . 1950 THR N 27063 1 46 . 1 1 185 185 TYR N N 15 6.23596906959341 0.0374063112475218 . . . . 1954 TYR N 27063 1 47 . 1 1 186 186 SER N N 15 6.35122261035249 0.0557071248491017 . . . . 1955 SER N 27063 1 48 . 1 1 187 187 LEU N N 15 5.47825134217158 0.0413958419804104 . . . . 1956 LEU N 27063 1 49 . 1 1 188 188 THR N N 15 5.46209307406598 0.0373286617384982 . . . . 1957 THR N 27063 1 50 . 1 1 191 191 ALA N N 15 4.33952438812706 0.0135734896245427 . . . . 1960 ALA N 27063 1 51 . 1 1 192 192 ILE N N 15 4.31685732786531 0.0148084440957872 . . . . 1961 ILE N 27063 1 52 . 1 1 193 193 SER N N 15 4.61424880029531 0.0190359762135639 . . . . 1962 SER N 27063 1 53 . 1 1 195 195 ASP N N 15 4.47367243770411 0.0130307686734685 . . . . 1964 ASP N 27063 1 54 . 1 1 196 196 ASP N N 15 3.84497077822209 0.0115705135726989 . . . . 1965 ASP N 27063 1 55 . 1 1 197 197 SER N N 15 3.39904826648538 0.0100625549119138 . . . . 1966 SER N 27063 1 56 . 1 1 198 198 ASP N N 15 3.14376434342482 0.0102993680313417 . . . . 1967 ASP N 27063 1 57 . 1 1 199 199 GLU N N 15 2.80772686433064 0.00750229799764357 . . . . 1968 GLU N 27063 1 58 . 1 1 200 200 GLU N N 15 2.38994311935376 0.00688367371835641 . . . . 1969 GLU N 27063 1 59 . 1 1 201 201 ASN N N 15 1.72786177105832 0.0052888419830539 . . . . 1970 ASN N 27063 1 stop_ save_