data_27630 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27630 _Entry.Title ; 1HN,15N,13CO,13CA and 13CB Chemical Shift Assignments for the FBP21(326-276) Fragment in Complex with the Brr2-CSec63 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-26 _Entry.Accession_date 2018-09-26 _Entry.Last_release_date 2018-09-26 _Entry.Original_release_date 2018-09-26 _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 Jana Sticht . . . . 27630 2 Christian Freund . . . . 27630 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27630 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Freund group, FU Berlin' . 27630 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27630 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 133 27630 '15N chemical shifts' 49 27630 '1H chemical shifts' 49 27630 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 . . 2019-02-15 2018-09-26 update BMRB 'update entry citation' 27630 1 . . 2018-10-09 2018-09-26 original author 'original release' 27630 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27629 'FBP21(326-276) Fragment' 27630 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27630 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30558886 _Citation.Full_citation . _Citation.Title ; FBP21's C-Terminal Domain Remains Dynamic When Wrapped around the c-Sec63 Unit of Brr2 Helicase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume 116 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1542-0086 _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 406 _Citation.Page_last 418 _Citation.Year 2019 _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 Jana Sticht . . . . 27630 1 2 Miriam Bertazzon . . . . 27630 1 3 Lisa Henning . M. . . 27630 1 4 Jan Licha . R. . . 27630 1 5 Esam Abualrous . T. . . 27630 1 6 Christian Freund . . . . 27630 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27630 _Assembly.ID 1 _Assembly.Name 'FBP21(326-376)/Brr2-CSec63 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 40237 _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 FBP21(326-376) 1 $FBP21(326-376) A . yes native no no . . . 27630 1 2 Brr2-CSec63 2 $Brr2-CSec63 B . no native no no . . . 27630 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FBP21(326-376) _Entity.Sf_category entity _Entity.Sf_framecode FBP21(326-376) _Entity.Entry_ID 27630 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FBP21(326-376) _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 ; GAMEADGGGEPKVVFKEKTV TSLGVMADGVAPVFKKRRTE NGKSRNLRQRGDDQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 323,G _Entity.Polymer_author_seq_details 'Residues 1-3 (323-325) (GAM) derive from cloning, residues 4-54 (326-376) represent the last C-terminal residues of FBP21.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment FBP21(326-376) _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 323 GLY . 27630 1 2 324 ALA . 27630 1 3 325 MET . 27630 1 4 326 GLU . 27630 1 5 327 ALA . 27630 1 6 328 ASP . 27630 1 7 329 GLY . 27630 1 8 330 GLY . 27630 1 9 331 GLY . 27630 1 10 332 GLU . 27630 1 11 333 PRO . 27630 1 12 334 LYS . 27630 1 13 335 VAL . 27630 1 14 336 VAL . 27630 1 15 337 PHE . 27630 1 16 338 LYS . 27630 1 17 339 GLU . 27630 1 18 340 LYS . 27630 1 19 341 THR . 27630 1 20 342 VAL . 27630 1 21 343 THR . 27630 1 22 344 SER . 27630 1 23 345 LEU . 27630 1 24 346 GLY . 27630 1 25 347 VAL . 27630 1 26 348 MET . 27630 1 27 349 ALA . 27630 1 28 350 ASP . 27630 1 29 351 GLY . 27630 1 30 352 VAL . 27630 1 31 353 ALA . 27630 1 32 354 PRO . 27630 1 33 355 VAL . 27630 1 34 356 PHE . 27630 1 35 357 LYS . 27630 1 36 358 LYS . 27630 1 37 359 ARG . 27630 1 38 360 ARG . 27630 1 39 361 THR . 27630 1 40 362 GLU . 27630 1 41 363 ASN . 27630 1 42 364 GLY . 27630 1 43 365 LYS . 27630 1 44 366 SER . 27630 1 45 367 ARG . 27630 1 46 368 ASN . 27630 1 47 369 LEU . 27630 1 48 370 ARG . 27630 1 49 371 GLN . 27630 1 50 372 ARG . 27630 1 51 373 GLY . 27630 1 52 374 ASP . 27630 1 53 375 ASP . 27630 1 54 376 GLN . 27630 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 27630 1 . ALA 2 2 27630 1 . MET 3 3 27630 1 . GLU 4 4 27630 1 . ALA 5 5 27630 1 . ASP 6 6 27630 1 . GLY 7 7 27630 1 . GLY 8 8 27630 1 . GLY 9 9 27630 1 . GLU 10 10 27630 1 . PRO 11 11 27630 1 . LYS 12 12 27630 1 . VAL 13 13 27630 1 . VAL 14 14 27630 1 . PHE 15 15 27630 1 . LYS 16 16 27630 1 . GLU 17 17 27630 1 . LYS 18 18 27630 1 . THR 19 19 27630 1 . VAL 20 20 27630 1 . THR 21 21 27630 1 . SER 22 22 27630 1 . LEU 23 23 27630 1 . GLY 24 24 27630 1 . VAL 25 25 27630 1 . MET 26 26 27630 1 . ALA 27 27 27630 1 . ASP 28 28 27630 1 . GLY 29 29 27630 1 . VAL 30 30 27630 1 . ALA 31 31 27630 1 . PRO 32 32 27630 1 . VAL 33 33 27630 1 . PHE 34 34 27630 1 . LYS 35 35 27630 1 . LYS 36 36 27630 1 . ARG 37 37 27630 1 . ARG 38 38 27630 1 . THR 39 39 27630 1 . GLU 40 40 27630 1 . ASN 41 41 27630 1 . GLY 42 42 27630 1 . LYS 43 43 27630 1 . SER 44 44 27630 1 . ARG 45 45 27630 1 . ASN 46 46 27630 1 . LEU 47 47 27630 1 . ARG 48 48 27630 1 . GLN 49 49 27630 1 . ARG 50 50 27630 1 . GLY 51 51 27630 1 . ASP 52 52 27630 1 . ASP 53 53 27630 1 . GLN 54 54 27630 1 stop_ save_ save_Brr2-CSec63 _Entity.Sf_category entity _Entity.Sf_framecode Brr2-CSec63 _Entity.Entry_ID 27630 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Brr2-CSec63 _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 ; GPLGSPEFTKVRGLIEIISN AAEYENIPIRHHEDNLLRQL AQKVPHKLNNPKFNDPHVKT NLLLQAHLSRMQLSAELQSD TEEILSKAIRLIQACVDVLS SNGWLSPALAAMELAQMVTQ AMWSKDSYLKQLPHFTSEHI KRCTDKGVESVFDIMEMEDE ERNALLQLTDSQIADVARFC NRYPNIELSYEVVDKDSIRS GGPVVVLVQLEREEEVTGPV IAPLFPQKREEGWWVVIGDA KSNSLISIKRLTLQQKAKVK LDFVAPATGAHNYTLYFMSD AYMGCDQEYKFSVDVKEAET DSDSD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Brr2-CSec63 covers residues 1840-2136 of human Brr2 helicase. The first 8 residues derive from cloning, Brr2-C-Sec sequece starts with residue 9T, which corresponds to 1840T. ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 305 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment Brr2-CSec63 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -7 GLY . 27630 2 2 -6 PRO . 27630 2 3 -5 LEU . 27630 2 4 -4 GLY . 27630 2 5 -3 SER . 27630 2 6 -2 PRO . 27630 2 7 -1 GLU . 27630 2 8 0 PHE . 27630 2 9 1840 THR . 27630 2 10 1841 LYS . 27630 2 11 1842 VAL . 27630 2 12 1843 ARG . 27630 2 13 1844 GLY . 27630 2 14 1845 LEU . 27630 2 15 1846 ILE . 27630 2 16 1847 GLU . 27630 2 17 1848 ILE . 27630 2 18 1849 ILE . 27630 2 19 1850 SER . 27630 2 20 1851 ASN . 27630 2 21 1852 ALA . 27630 2 22 1853 ALA . 27630 2 23 1854 GLU . 27630 2 24 1855 TYR . 27630 2 25 1856 GLU . 27630 2 26 1857 ASN . 27630 2 27 1858 ILE . 27630 2 28 1859 PRO . 27630 2 29 1860 ILE . 27630 2 30 1861 ARG . 27630 2 31 1862 HIS . 27630 2 32 1863 HIS . 27630 2 33 1864 GLU . 27630 2 34 1865 ASP . 27630 2 35 1866 ASN . 27630 2 36 1867 LEU . 27630 2 37 1868 LEU . 27630 2 38 1869 ARG . 27630 2 39 1870 GLN . 27630 2 40 1871 LEU . 27630 2 41 1872 ALA . 27630 2 42 1873 GLN . 27630 2 43 1874 LYS . 27630 2 44 1875 VAL . 27630 2 45 1876 PRO . 27630 2 46 1877 HIS . 27630 2 47 1878 LYS . 27630 2 48 1879 LEU . 27630 2 49 1880 ASN . 27630 2 50 1881 ASN . 27630 2 51 1882 PRO . 27630 2 52 1883 LYS . 27630 2 53 1884 PHE . 27630 2 54 1885 ASN . 27630 2 55 1886 ASP . 27630 2 56 1887 PRO . 27630 2 57 1888 HIS . 27630 2 58 1889 VAL . 27630 2 59 1890 LYS . 27630 2 60 1891 THR . 27630 2 61 1892 ASN . 27630 2 62 1893 LEU . 27630 2 63 1894 LEU . 27630 2 64 1895 LEU . 27630 2 65 1896 GLN . 27630 2 66 1897 ALA . 27630 2 67 1898 HIS . 27630 2 68 1899 LEU . 27630 2 69 1900 SER . 27630 2 70 1901 ARG . 27630 2 71 1902 MET . 27630 2 72 1903 GLN . 27630 2 73 1904 LEU . 27630 2 74 1905 SER . 27630 2 75 1906 ALA . 27630 2 76 1907 GLU . 27630 2 77 1908 LEU . 27630 2 78 1909 GLN . 27630 2 79 1910 SER . 27630 2 80 1911 ASP . 27630 2 81 1912 THR . 27630 2 82 1913 GLU . 27630 2 83 1914 GLU . 27630 2 84 1915 ILE . 27630 2 85 1916 LEU . 27630 2 86 1917 SER . 27630 2 87 1918 LYS . 27630 2 88 1919 ALA . 27630 2 89 1920 ILE . 27630 2 90 1921 ARG . 27630 2 91 1922 LEU . 27630 2 92 1923 ILE . 27630 2 93 1924 GLN . 27630 2 94 1925 ALA . 27630 2 95 1926 CYS . 27630 2 96 1927 VAL . 27630 2 97 1928 ASP . 27630 2 98 1929 VAL . 27630 2 99 1930 LEU . 27630 2 100 1931 SER . 27630 2 101 1932 SER . 27630 2 102 1933 ASN . 27630 2 103 1934 GLY . 27630 2 104 1935 TRP . 27630 2 105 1936 LEU . 27630 2 106 1937 SER . 27630 2 107 1938 PRO . 27630 2 108 1939 ALA . 27630 2 109 1940 LEU . 27630 2 110 1941 ALA . 27630 2 111 1942 ALA . 27630 2 112 1943 MET . 27630 2 113 1944 GLU . 27630 2 114 1945 LEU . 27630 2 115 1946 ALA . 27630 2 116 1947 GLN . 27630 2 117 1948 MET . 27630 2 118 1949 VAL . 27630 2 119 1950 THR . 27630 2 120 1951 GLN . 27630 2 121 1952 ALA . 27630 2 122 1953 MET . 27630 2 123 1954 TRP . 27630 2 124 1955 SER . 27630 2 125 1956 LYS . 27630 2 126 1957 ASP . 27630 2 127 1958 SER . 27630 2 128 1959 TYR . 27630 2 129 1960 LEU . 27630 2 130 1961 LYS . 27630 2 131 1962 GLN . 27630 2 132 1963 LEU . 27630 2 133 1964 PRO . 27630 2 134 1965 HIS . 27630 2 135 1966 PHE . 27630 2 136 1967 THR . 27630 2 137 1968 SER . 27630 2 138 1969 GLU . 27630 2 139 1970 HIS . 27630 2 140 1971 ILE . 27630 2 141 1972 LYS . 27630 2 142 1973 ARG . 27630 2 143 1974 CYS . 27630 2 144 1975 THR . 27630 2 145 1976 ASP . 27630 2 146 1977 LYS . 27630 2 147 1978 GLY . 27630 2 148 1979 VAL . 27630 2 149 1980 GLU . 27630 2 150 1981 SER . 27630 2 151 1982 VAL . 27630 2 152 1983 PHE . 27630 2 153 1984 ASP . 27630 2 154 1985 ILE . 27630 2 155 1986 MET . 27630 2 156 1987 GLU . 27630 2 157 1988 MET . 27630 2 158 1989 GLU . 27630 2 159 1990 ASP . 27630 2 160 1991 GLU . 27630 2 161 1992 GLU . 27630 2 162 1993 ARG . 27630 2 163 1994 ASN . 27630 2 164 1995 ALA . 27630 2 165 1996 LEU . 27630 2 166 1997 LEU . 27630 2 167 1998 GLN . 27630 2 168 1999 LEU . 27630 2 169 2000 THR . 27630 2 170 2001 ASP . 27630 2 171 2002 SER . 27630 2 172 2003 GLN . 27630 2 173 2004 ILE . 27630 2 174 2005 ALA . 27630 2 175 2006 ASP . 27630 2 176 2007 VAL . 27630 2 177 2008 ALA . 27630 2 178 2009 ARG . 27630 2 179 2010 PHE . 27630 2 180 2011 CYS . 27630 2 181 2012 ASN . 27630 2 182 2013 ARG . 27630 2 183 2014 TYR . 27630 2 184 2015 PRO . 27630 2 185 2016 ASN . 27630 2 186 2017 ILE . 27630 2 187 2018 GLU . 27630 2 188 2019 LEU . 27630 2 189 2020 SER . 27630 2 190 2021 TYR . 27630 2 191 2022 GLU . 27630 2 192 2023 VAL . 27630 2 193 2024 VAL . 27630 2 194 2025 ASP . 27630 2 195 2026 LYS . 27630 2 196 2027 ASP . 27630 2 197 2028 SER . 27630 2 198 2029 ILE . 27630 2 199 2030 ARG . 27630 2 200 2031 SER . 27630 2 201 2032 GLY . 27630 2 202 2033 GLY . 27630 2 203 2034 PRO . 27630 2 204 2035 VAL . 27630 2 205 2036 VAL . 27630 2 206 2037 VAL . 27630 2 207 2038 LEU . 27630 2 208 2039 VAL . 27630 2 209 2040 GLN . 27630 2 210 2041 LEU . 27630 2 211 2042 GLU . 27630 2 212 2043 ARG . 27630 2 213 2044 GLU . 27630 2 214 2045 GLU . 27630 2 215 2046 GLU . 27630 2 216 2047 VAL . 27630 2 217 2048 THR . 27630 2 218 2049 GLY . 27630 2 219 2050 PRO . 27630 2 220 2051 VAL . 27630 2 221 2052 ILE . 27630 2 222 2053 ALA . 27630 2 223 2054 PRO . 27630 2 224 2055 LEU . 27630 2 225 2056 PHE . 27630 2 226 2057 PRO . 27630 2 227 2058 GLN . 27630 2 228 2059 LYS . 27630 2 229 2060 ARG . 27630 2 230 2061 GLU . 27630 2 231 2062 GLU . 27630 2 232 2063 GLY . 27630 2 233 2064 TRP . 27630 2 234 2065 TRP . 27630 2 235 2066 VAL . 27630 2 236 2067 VAL . 27630 2 237 2068 ILE . 27630 2 238 2069 GLY . 27630 2 239 2070 ASP . 27630 2 240 2071 ALA . 27630 2 241 2072 LYS . 27630 2 242 2073 SER . 27630 2 243 2074 ASN . 27630 2 244 2075 SER . 27630 2 245 2076 LEU . 27630 2 246 2077 ILE . 27630 2 247 2078 SER . 27630 2 248 2079 ILE . 27630 2 249 2080 LYS . 27630 2 250 2081 ARG . 27630 2 251 2082 LEU . 27630 2 252 2083 THR . 27630 2 253 2084 LEU . 27630 2 254 2085 GLN . 27630 2 255 2086 GLN . 27630 2 256 2087 LYS . 27630 2 257 2088 ALA . 27630 2 258 2089 LYS . 27630 2 259 2090 VAL . 27630 2 260 2091 LYS . 27630 2 261 2092 LEU . 27630 2 262 2093 ASP . 27630 2 263 2094 PHE . 27630 2 264 2095 VAL . 27630 2 265 2096 ALA . 27630 2 266 2097 PRO . 27630 2 267 2098 ALA . 27630 2 268 2099 THR . 27630 2 269 2100 GLY . 27630 2 270 2101 ALA . 27630 2 271 2102 HIS . 27630 2 272 2103 ASN . 27630 2 273 2104 TYR . 27630 2 274 2105 THR . 27630 2 275 2106 LEU . 27630 2 276 2107 TYR . 27630 2 277 2108 PHE . 27630 2 278 2109 MET . 27630 2 279 2110 SER . 27630 2 280 2111 ASP . 27630 2 281 2112 ALA . 27630 2 282 2113 TYR . 27630 2 283 2114 MET . 27630 2 284 2115 GLY . 27630 2 285 2116 CYS . 27630 2 286 2117 ASP . 27630 2 287 2118 GLN . 27630 2 288 2119 GLU . 27630 2 289 2120 TYR . 27630 2 290 2121 LYS . 27630 2 291 2122 PHE . 27630 2 292 2123 SER . 27630 2 293 2124 VAL . 27630 2 294 2125 ASP . 27630 2 295 2126 VAL . 27630 2 296 2127 LYS . 27630 2 297 2128 GLU . 27630 2 298 2129 ALA . 27630 2 299 2130 GLU . 27630 2 300 2131 THR . 27630 2 301 2132 ASP . 27630 2 302 2133 SER . 27630 2 303 2134 ASP . 27630 2 304 2135 SER . 27630 2 305 2136 ASP . 27630 2 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 27630 2 . PRO 2 2 27630 2 . LEU 3 3 27630 2 . GLY 4 4 27630 2 . SER 5 5 27630 2 . PRO 6 6 27630 2 . GLU 7 7 27630 2 . PHE 8 8 27630 2 . THR 9 9 27630 2 . LYS 10 10 27630 2 . VAL 11 11 27630 2 . ARG 12 12 27630 2 . GLY 13 13 27630 2 . LEU 14 14 27630 2 . ILE 15 15 27630 2 . GLU 16 16 27630 2 . ILE 17 17 27630 2 . ILE 18 18 27630 2 . SER 19 19 27630 2 . ASN 20 20 27630 2 . ALA 21 21 27630 2 . ALA 22 22 27630 2 . GLU 23 23 27630 2 . TYR 24 24 27630 2 . GLU 25 25 27630 2 . ASN 26 26 27630 2 . ILE 27 27 27630 2 . PRO 28 28 27630 2 . ILE 29 29 27630 2 . ARG 30 30 27630 2 . HIS 31 31 27630 2 . HIS 32 32 27630 2 . GLU 33 33 27630 2 . ASP 34 34 27630 2 . ASN 35 35 27630 2 . LEU 36 36 27630 2 . LEU 37 37 27630 2 . ARG 38 38 27630 2 . GLN 39 39 27630 2 . LEU 40 40 27630 2 . ALA 41 41 27630 2 . GLN 42 42 27630 2 . LYS 43 43 27630 2 . VAL 44 44 27630 2 . PRO 45 45 27630 2 . HIS 46 46 27630 2 . LYS 47 47 27630 2 . LEU 48 48 27630 2 . ASN 49 49 27630 2 . ASN 50 50 27630 2 . PRO 51 51 27630 2 . LYS 52 52 27630 2 . PHE 53 53 27630 2 . ASN 54 54 27630 2 . ASP 55 55 27630 2 . PRO 56 56 27630 2 . HIS 57 57 27630 2 . VAL 58 58 27630 2 . LYS 59 59 27630 2 . THR 60 60 27630 2 . ASN 61 61 27630 2 . LEU 62 62 27630 2 . LEU 63 63 27630 2 . LEU 64 64 27630 2 . GLN 65 65 27630 2 . ALA 66 66 27630 2 . HIS 67 67 27630 2 . LEU 68 68 27630 2 . SER 69 69 27630 2 . ARG 70 70 27630 2 . MET 71 71 27630 2 . GLN 72 72 27630 2 . LEU 73 73 27630 2 . SER 74 74 27630 2 . ALA 75 75 27630 2 . GLU 76 76 27630 2 . LEU 77 77 27630 2 . GLN 78 78 27630 2 . SER 79 79 27630 2 . ASP 80 80 27630 2 . THR 81 81 27630 2 . GLU 82 82 27630 2 . GLU 83 83 27630 2 . ILE 84 84 27630 2 . LEU 85 85 27630 2 . SER 86 86 27630 2 . LYS 87 87 27630 2 . ALA 88 88 27630 2 . ILE 89 89 27630 2 . ARG 90 90 27630 2 . LEU 91 91 27630 2 . ILE 92 92 27630 2 . GLN 93 93 27630 2 . ALA 94 94 27630 2 . CYS 95 95 27630 2 . VAL 96 96 27630 2 . ASP 97 97 27630 2 . VAL 98 98 27630 2 . LEU 99 99 27630 2 . SER 100 100 27630 2 . SER 101 101 27630 2 . ASN 102 102 27630 2 . GLY 103 103 27630 2 . TRP 104 104 27630 2 . LEU 105 105 27630 2 . SER 106 106 27630 2 . PRO 107 107 27630 2 . ALA 108 108 27630 2 . LEU 109 109 27630 2 . ALA 110 110 27630 2 . ALA 111 111 27630 2 . MET 112 112 27630 2 . GLU 113 113 27630 2 . LEU 114 114 27630 2 . ALA 115 115 27630 2 . GLN 116 116 27630 2 . MET 117 117 27630 2 . VAL 118 118 27630 2 . THR 119 119 27630 2 . GLN 120 120 27630 2 . ALA 121 121 27630 2 . MET 122 122 27630 2 . TRP 123 123 27630 2 . SER 124 124 27630 2 . LYS 125 125 27630 2 . ASP 126 126 27630 2 . SER 127 127 27630 2 . TYR 128 128 27630 2 . LEU 129 129 27630 2 . LYS 130 130 27630 2 . GLN 131 131 27630 2 . LEU 132 132 27630 2 . PRO 133 133 27630 2 . HIS 134 134 27630 2 . PHE 135 135 27630 2 . THR 136 136 27630 2 . SER 137 137 27630 2 . GLU 138 138 27630 2 . HIS 139 139 27630 2 . ILE 140 140 27630 2 . LYS 141 141 27630 2 . ARG 142 142 27630 2 . CYS 143 143 27630 2 . THR 144 144 27630 2 . ASP 145 145 27630 2 . LYS 146 146 27630 2 . GLY 147 147 27630 2 . VAL 148 148 27630 2 . GLU 149 149 27630 2 . SER 150 150 27630 2 . VAL 151 151 27630 2 . PHE 152 152 27630 2 . ASP 153 153 27630 2 . ILE 154 154 27630 2 . MET 155 155 27630 2 . GLU 156 156 27630 2 . MET 157 157 27630 2 . GLU 158 158 27630 2 . ASP 159 159 27630 2 . GLU 160 160 27630 2 . GLU 161 161 27630 2 . ARG 162 162 27630 2 . ASN 163 163 27630 2 . ALA 164 164 27630 2 . LEU 165 165 27630 2 . LEU 166 166 27630 2 . GLN 167 167 27630 2 . LEU 168 168 27630 2 . THR 169 169 27630 2 . ASP 170 170 27630 2 . SER 171 171 27630 2 . GLN 172 172 27630 2 . ILE 173 173 27630 2 . ALA 174 174 27630 2 . ASP 175 175 27630 2 . VAL 176 176 27630 2 . ALA 177 177 27630 2 . ARG 178 178 27630 2 . PHE 179 179 27630 2 . CYS 180 180 27630 2 . ASN 181 181 27630 2 . ARG 182 182 27630 2 . TYR 183 183 27630 2 . PRO 184 184 27630 2 . ASN 185 185 27630 2 . ILE 186 186 27630 2 . GLU 187 187 27630 2 . LEU 188 188 27630 2 . SER 189 189 27630 2 . TYR 190 190 27630 2 . GLU 191 191 27630 2 . VAL 192 192 27630 2 . VAL 193 193 27630 2 . ASP 194 194 27630 2 . LYS 195 195 27630 2 . ASP 196 196 27630 2 . SER 197 197 27630 2 . ILE 198 198 27630 2 . ARG 199 199 27630 2 . SER 200 200 27630 2 . GLY 201 201 27630 2 . GLY 202 202 27630 2 . PRO 203 203 27630 2 . VAL 204 204 27630 2 . VAL 205 205 27630 2 . VAL 206 206 27630 2 . LEU 207 207 27630 2 . VAL 208 208 27630 2 . GLN 209 209 27630 2 . LEU 210 210 27630 2 . GLU 211 211 27630 2 . ARG 212 212 27630 2 . GLU 213 213 27630 2 . GLU 214 214 27630 2 . GLU 215 215 27630 2 . VAL 216 216 27630 2 . THR 217 217 27630 2 . GLY 218 218 27630 2 . PRO 219 219 27630 2 . VAL 220 220 27630 2 . ILE 221 221 27630 2 . ALA 222 222 27630 2 . PRO 223 223 27630 2 . LEU 224 224 27630 2 . PHE 225 225 27630 2 . PRO 226 226 27630 2 . GLN 227 227 27630 2 . LYS 228 228 27630 2 . ARG 229 229 27630 2 . GLU 230 230 27630 2 . GLU 231 231 27630 2 . GLY 232 232 27630 2 . TRP 233 233 27630 2 . TRP 234 234 27630 2 . VAL 235 235 27630 2 . VAL 236 236 27630 2 . ILE 237 237 27630 2 . GLY 238 238 27630 2 . ASP 239 239 27630 2 . ALA 240 240 27630 2 . LYS 241 241 27630 2 . SER 242 242 27630 2 . ASN 243 243 27630 2 . SER 244 244 27630 2 . LEU 245 245 27630 2 . ILE 246 246 27630 2 . SER 247 247 27630 2 . ILE 248 248 27630 2 . LYS 249 249 27630 2 . ARG 250 250 27630 2 . LEU 251 251 27630 2 . THR 252 252 27630 2 . LEU 253 253 27630 2 . GLN 254 254 27630 2 . GLN 255 255 27630 2 . LYS 256 256 27630 2 . ALA 257 257 27630 2 . LYS 258 258 27630 2 . VAL 259 259 27630 2 . LYS 260 260 27630 2 . LEU 261 261 27630 2 . ASP 262 262 27630 2 . PHE 263 263 27630 2 . VAL 264 264 27630 2 . ALA 265 265 27630 2 . PRO 266 266 27630 2 . ALA 267 267 27630 2 . THR 268 268 27630 2 . GLY 269 269 27630 2 . ALA 270 270 27630 2 . HIS 271 271 27630 2 . ASN 272 272 27630 2 . TYR 273 273 27630 2 . THR 274 274 27630 2 . LEU 275 275 27630 2 . TYR 276 276 27630 2 . PHE 277 277 27630 2 . MET 278 278 27630 2 . SER 279 279 27630 2 . ASP 280 280 27630 2 . ALA 281 281 27630 2 . TYR 282 282 27630 2 . MET 283 283 27630 2 . GLY 284 284 27630 2 . CYS 285 285 27630 2 . ASP 286 286 27630 2 . GLN 287 287 27630 2 . GLU 288 288 27630 2 . TYR 289 289 27630 2 . LYS 290 290 27630 2 . PHE 291 291 27630 2 . SER 292 292 27630 2 . VAL 293 293 27630 2 . ASP 294 294 27630 2 . VAL 295 295 27630 2 . LYS 296 296 27630 2 . GLU 297 297 27630 2 . ALA 298 298 27630 2 . GLU 299 299 27630 2 . THR 300 300 27630 2 . ASP 301 301 27630 2 . SER 302 302 27630 2 . ASP 303 303 27630 2 . SER 304 304 27630 2 . ASP 305 305 27630 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27630 _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 $FBP21(326-376) . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27630 1 2 2 $Brr2-CSec63 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27630 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 27630 _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 $FBP21(326-376) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETM11 . . . 27630 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27630 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 FBP21(326-376) '[U-13C; U-15N; U-2H]' . . 1 $FBP21(326-376) . . 140 . . uM . . . . 27630 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27630 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27630 1 4 Brr2-CSec63 'natural abundance' . . 2 $Brr2-CSec63 . . 420 . . uM . . . . 27630 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27630 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 27630 1 pH 6.5 . pH 27630 1 pressure 1 . atm 27630 1 temperature 300 . K 27630 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27630 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27630 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27630 1 stop_ save_ save_CcpNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNMR_Analysis _Software.Entry_ID 27630 _Software.ID 2 _Software.Type . _Software.Name CcpNMR_Analysis _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27630 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27630 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 27630 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'triple resonance cryo-probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27630 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 'triple resonance cryo-probe' . . 27630 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 27630 _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 . . . . . . . . . . . . . . . . 27630 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27630 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27630 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27630 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27630 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 27630 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 27630 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external indirect 1.000000000 . . . . . 27630 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 27630 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 27630 _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' . . . 27630 1 2 '3D HNCA' . . . 27630 1 3 '3D HNCO' . . . 27630 1 4 '3D HNCACB' . . . 27630 1 5 '3D HN(CO)CA' . . . 27630 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 $CcpNMR_Analysis . . 27630 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 2 2 ALA C C 13 177.959 0.000 . 1 . . . . . 324 ALA C . 27630 1 2 . 1 1 2 2 ALA CA C 13 52.438 0.025 . 1 . . . . . 324 ALA CA . 27630 1 3 . 1 1 2 2 ALA CB C 13 18.668 0.000 . 1 . . . . . 324 ALA CB . 27630 1 4 . 1 1 3 3 MET H H 1 8.514 0.003 . 1 . . . . . 325 MET H . 27630 1 5 . 1 1 3 3 MET C C 13 176.446 0.000 . 1 . . . . . 325 MET C . 27630 1 6 . 1 1 3 3 MET CA C 13 55.239 0.041 . 1 . . . . . 325 MET CA . 27630 1 7 . 1 1 3 3 MET CB C 13 31.866 0.045 . 1 . . . . . 325 MET CB . 27630 1 8 . 1 1 3 3 MET N N 15 119.147 0.016 . 1 . . . . . 325 MET N . 27630 1 9 . 1 1 4 4 GLU H H 1 8.394 0.002 . 1 . . . . . 326 GLU H . 27630 1 10 . 1 1 4 4 GLU C C 13 176.444 0.000 . 1 . . . . . 326 GLU C . 27630 1 11 . 1 1 4 4 GLU CA C 13 56.258 0.023 . 1 . . . . . 326 GLU CA . 27630 1 12 . 1 1 4 4 GLU CB C 13 29.421 0.012 . 1 . . . . . 326 GLU CB . 27630 1 13 . 1 1 4 4 GLU N N 15 121.911 0.060 . 1 . . . . . 326 GLU N . 27630 1 14 . 1 1 5 5 ALA H H 1 8.349 0.001 . 1 . . . . . 327 ALA H . 27630 1 15 . 1 1 5 5 ALA C C 13 177.640 0.000 . 1 . . . . . 327 ALA C . 27630 1 16 . 1 1 5 5 ALA CA C 13 52.228 0.032 . 1 . . . . . 327 ALA CA . 27630 1 17 . 1 1 5 5 ALA CB C 13 18.648 0.000 . 1 . . . . . 327 ALA CB . 27630 1 18 . 1 1 5 5 ALA N N 15 124.639 0.017 . 1 . . . . . 327 ALA N . 27630 1 19 . 1 1 6 6 ASP H H 1 8.296 0.001 . 1 . . . . . 328 ASP H . 27630 1 20 . 1 1 6 6 ASP C C 13 177.064 0.000 . 1 . . . . . 328 ASP C . 27630 1 21 . 1 1 6 6 ASP CA C 13 54.102 0.031 . 1 . . . . . 328 ASP CA . 27630 1 22 . 1 1 6 6 ASP CB C 13 40.577 0.010 . 1 . . . . . 328 ASP CB . 27630 1 23 . 1 1 6 6 ASP N N 15 119.414 0.029 . 1 . . . . . 328 ASP N . 27630 1 24 . 1 1 7 7 GLY H H 1 8.355 0.002 . 1 . . . . . 329 GLY H . 27630 1 25 . 1 1 7 7 GLY C C 13 175.165 0.000 . 1 . . . . . 329 GLY C . 27630 1 26 . 1 1 7 7 GLY CA C 13 45.241 0.014 . 1 . . . . . 329 GLY CA . 27630 1 27 . 1 1 7 7 GLY N N 15 109.592 0.018 . 1 . . . . . 329 GLY N . 27630 1 28 . 1 1 8 8 GLY H H 1 8.361 0.002 . 1 . . . . . 330 GLY H . 27630 1 29 . 1 1 8 8 GLY C C 13 174.767 0.000 . 1 . . . . . 330 GLY C . 27630 1 30 . 1 1 8 8 GLY CA C 13 45.067 0.068 . 1 . . . . . 330 GLY CA . 27630 1 31 . 1 1 8 8 GLY N N 15 108.984 0.079 . 1 . . . . . 330 GLY N . 27630 1 32 . 1 1 9 9 GLY H H 1 8.259 0.005 . 1 . . . . . 331 GLY H . 27630 1 33 . 1 1 9 9 GLY C C 13 173.897 0.000 . 1 . . . . . 331 GLY C . 27630 1 34 . 1 1 9 9 GLY CA C 13 44.555 0.054 . 1 . . . . . 331 GLY CA . 27630 1 35 . 1 1 9 9 GLY N N 15 108.692 0.033 . 1 . . . . . 331 GLY N . 27630 1 36 . 1 1 10 10 GLU H H 1 8.253 0.001 . 1 . . . . . 332 GLU H . 27630 1 37 . 1 1 10 10 GLU CA C 13 54.007 0.014 . 1 . . . . . 332 GLU CA . 27630 1 38 . 1 1 10 10 GLU CB C 13 28.818 0.000 . 1 . . . . . 332 GLU CB . 27630 1 39 . 1 1 10 10 GLU N N 15 121.789 0.017 . 1 . . . . . 332 GLU N . 27630 1 40 . 1 1 11 11 PRO C C 13 176.840 0.000 . 1 . . . . . 333 PRO C . 27630 1 41 . 1 1 11 11 PRO CA C 13 62.613 0.068 . 1 . . . . . 333 PRO CA . 27630 1 42 . 1 1 12 12 LYS H H 1 8.388 0.004 . 1 . . . . . 334 LYS H . 27630 1 43 . 1 1 12 12 LYS C C 13 176.531 0.000 . 1 . . . . . 334 LYS C . 27630 1 44 . 1 1 12 12 LYS CA C 13 55.605 0.045 . 1 . . . . . 334 LYS CA . 27630 1 45 . 1 1 12 12 LYS N N 15 122.020 0.012 . 1 . . . . . 334 LYS N . 27630 1 46 . 1 1 13 13 VAL H H 1 8.221 0.001 . 1 . . . . . 335 VAL H . 27630 1 47 . 1 1 13 13 VAL C C 13 174.979 0.000 . 1 . . . . . 335 VAL C . 27630 1 48 . 1 1 13 13 VAL CA C 13 61.618 0.036 . 1 . . . . . 335 VAL CA . 27630 1 49 . 1 1 13 13 VAL CB C 13 31.917 0.000 . 1 . . . . . 335 VAL CB . 27630 1 50 . 1 1 13 13 VAL N N 15 123.048 0.026 . 1 . . . . . 335 VAL N . 27630 1 51 . 1 1 14 14 VAL H H 1 8.036 0.002 . 1 . . . . . 336 VAL H . 27630 1 52 . 1 1 14 14 VAL C C 13 175.494 0.000 . 1 . . . . . 336 VAL C . 27630 1 53 . 1 1 14 14 VAL CA C 13 61.203 0.044 . 1 . . . . . 336 VAL CA . 27630 1 54 . 1 1 14 14 VAL CB C 13 32.303 0.046 . 1 . . . . . 336 VAL CB . 27630 1 55 . 1 1 14 14 VAL N N 15 124.630 0.043 . 1 . . . . . 336 VAL N . 27630 1 56 . 1 1 15 15 PHE H H 1 8.555 0.002 . 1 . . . . . 337 PHE H . 27630 1 57 . 1 1 15 15 PHE C C 13 175.555 0.000 . 1 . . . . . 337 PHE C . 27630 1 58 . 1 1 15 15 PHE CA C 13 56.877 0.025 . 1 . . . . . 337 PHE CA . 27630 1 59 . 1 1 15 15 PHE CB C 13 38.553 0.000 . 1 . . . . . 337 PHE CB . 27630 1 60 . 1 1 15 15 PHE N N 15 124.251 0.035 . 1 . . . . . 337 PHE N . 27630 1 61 . 1 1 16 16 LYS H H 1 8.616 0.003 . 1 . . . . . 338 LYS H . 27630 1 62 . 1 1 16 16 LYS C C 13 175.125 0.000 . 1 . . . . . 338 LYS C . 27630 1 63 . 1 1 16 16 LYS CA C 13 55.421 0.027 . 1 . . . . . 338 LYS CA . 27630 1 64 . 1 1 16 16 LYS N N 15 123.635 0.056 . 1 . . . . . 338 LYS N . 27630 1 65 . 1 1 17 17 GLU H H 1 8.435 0.001 . 1 . . . . . 339 GLU H . 27630 1 66 . 1 1 17 17 GLU CA C 13 55.385 0.024 . 1 . . . . . 339 GLU CA . 27630 1 67 . 1 1 17 17 GLU N N 15 122.167 0.054 . 1 . . . . . 339 GLU N . 27630 1 68 . 1 1 18 18 LYS H H 1 9.021 0.004 . 1 . . . . . 340 LYS H . 27630 1 69 . 1 1 18 18 LYS C C 13 175.680 0.000 . 1 . . . . . 340 LYS C . 27630 1 70 . 1 1 18 18 LYS CA C 13 56.321 0.036 . 1 . . . . . 340 LYS CA . 27630 1 71 . 1 1 18 18 LYS N N 15 125.388 0.043 . 1 . . . . . 340 LYS N . 27630 1 72 . 1 1 19 19 THR H H 1 8.125 0.003 . 1 . . . . . 341 THR H . 27630 1 73 . 1 1 19 19 THR C C 13 173.610 0.000 . 1 . . . . . 341 THR C . 27630 1 74 . 1 1 19 19 THR CA C 13 59.739 0.056 . 1 . . . . . 341 THR CA . 27630 1 75 . 1 1 19 19 THR CB C 13 70.564 0.079 . 1 . . . . . 341 THR CB . 27630 1 76 . 1 1 19 19 THR N N 15 113.594 0.077 . 1 . . . . . 341 THR N . 27630 1 77 . 1 1 20 20 VAL H H 1 8.764 0.008 . 1 . . . . . 342 VAL H . 27630 1 78 . 1 1 20 20 VAL C C 13 176.106 0.000 . 1 . . . . . 342 VAL C . 27630 1 79 . 1 1 20 20 VAL CA C 13 62.143 0.030 . 1 . . . . . 342 VAL CA . 27630 1 80 . 1 1 20 20 VAL N N 15 123.220 0.069 . 1 . . . . . 342 VAL N . 27630 1 81 . 1 1 21 21 THR H H 1 8.510 0.004 . 1 . . . . . 343 THR H . 27630 1 82 . 1 1 21 21 THR CA C 13 60.696 0.079 . 1 . . . . . 343 THR CA . 27630 1 83 . 1 1 21 21 THR N N 15 118.218 0.059 . 1 . . . . . 343 THR N . 27630 1 84 . 1 1 22 22 SER H H 1 7.774 0.013 . 1 . . . . . 344 SER H . 27630 1 85 . 1 1 22 22 SER C C 13 174.519 0.000 . 1 . . . . . 344 SER C . 27630 1 86 . 1 1 22 22 SER CA C 13 57.270 0.030 . 1 . . . . . 344 SER CA . 27630 1 87 . 1 1 22 22 SER N N 15 114.078 0.027 . 1 . . . . . 344 SER N . 27630 1 88 . 1 1 23 23 LEU H H 1 8.783 0.001 . 1 . . . . . 345 LEU H . 27630 1 89 . 1 1 23 23 LEU C C 13 177.613 0.000 . 1 . . . . . 345 LEU C . 27630 1 90 . 1 1 23 23 LEU CA C 13 54.658 0.109 . 1 . . . . . 345 LEU CA . 27630 1 91 . 1 1 23 23 LEU CB C 13 41.578 0.000 . 1 . . . . . 345 LEU CB . 27630 1 92 . 1 1 23 23 LEU N N 15 122.689 0.032 . 1 . . . . . 345 LEU N . 27630 1 93 . 1 1 24 24 GLY H H 1 8.307 0.001 . 1 . . . . . 346 GLY H . 27630 1 94 . 1 1 24 24 GLY C C 13 174.974 0.000 . 1 . . . . . 346 GLY C . 27630 1 95 . 1 1 24 24 GLY CA C 13 45.106 0.023 . 1 . . . . . 346 GLY CA . 27630 1 96 . 1 1 24 24 GLY N N 15 107.515 0.036 . 1 . . . . . 346 GLY N . 27630 1 97 . 1 1 25 25 VAL H H 1 8.204 0.006 . 1 . . . . . 347 VAL H . 27630 1 98 . 1 1 25 25 VAL C C 13 176.367 0.000 . 1 . . . . . 347 VAL C . 27630 1 99 . 1 1 25 25 VAL CA C 13 62.154 0.040 . 1 . . . . . 347 VAL CA . 27630 1 100 . 1 1 25 25 VAL CB C 13 31.442 0.000 . 1 . . . . . 347 VAL CB . 27630 1 101 . 1 1 25 25 VAL N N 15 119.194 0.028 . 1 . . . . . 347 VAL N . 27630 1 102 . 1 1 26 26 MET H H 1 8.768 0.003 . 1 . . . . . 348 MET H . 27630 1 103 . 1 1 26 26 MET C C 13 175.987 0.000 . 1 . . . . . 348 MET C . 27630 1 104 . 1 1 26 26 MET CA C 13 55.980 0.048 . 1 . . . . . 348 MET CA . 27630 1 105 . 1 1 26 26 MET N N 15 123.292 0.009 . 1 . . . . . 348 MET N . 27630 1 106 . 1 1 27 27 ALA H H 1 8.061 0.005 . 1 . . . . . 349 ALA H . 27630 1 107 . 1 1 27 27 ALA C C 13 176.978 0.000 . 1 . . . . . 349 ALA C . 27630 1 108 . 1 1 27 27 ALA CA C 13 51.523 0.081 . 1 . . . . . 349 ALA CA . 27630 1 109 . 1 1 27 27 ALA CB C 13 18.912 0.022 . 1 . . . . . 349 ALA CB . 27630 1 110 . 1 1 27 27 ALA N N 15 122.601 0.040 . 1 . . . . . 349 ALA N . 27630 1 111 . 1 1 28 28 ASP H H 1 7.869 0.007 . 1 . . . . . 350 ASP H . 27630 1 112 . 1 1 28 28 ASP C C 13 177.250 0.000 . 1 . . . . . 350 ASP C . 27630 1 113 . 1 1 28 28 ASP CA C 13 55.068 0.059 . 1 . . . . . 350 ASP CA . 27630 1 114 . 1 1 28 28 ASP CB C 13 40.146 0.044 . 1 . . . . . 350 ASP CB . 27630 1 115 . 1 1 28 28 ASP N N 15 119.296 0.051 . 1 . . . . . 350 ASP N . 27630 1 116 . 1 1 29 29 GLY H H 1 8.424 0.005 . 1 . . . . . 351 GLY H . 27630 1 117 . 1 1 29 29 GLY C C 13 174.073 0.000 . 1 . . . . . 351 GLY C . 27630 1 118 . 1 1 29 29 GLY CA C 13 45.057 0.008 . 1 . . . . . 351 GLY CA . 27630 1 119 . 1 1 29 29 GLY N N 15 109.020 0.025 . 1 . . . . . 351 GLY N . 27630 1 120 . 1 1 30 30 VAL H H 1 7.684 0.002 . 1 . . . . . 352 VAL H . 27630 1 121 . 1 1 30 30 VAL C C 13 175.556 0.000 . 1 . . . . . 352 VAL C . 27630 1 122 . 1 1 30 30 VAL CA C 13 61.188 0.022 . 1 . . . . . 352 VAL CA . 27630 1 123 . 1 1 30 30 VAL CB C 13 31.812 0.050 . 1 . . . . . 352 VAL CB . 27630 1 124 . 1 1 30 30 VAL N N 15 120.387 0.011 . 1 . . . . . 352 VAL N . 27630 1 125 . 1 1 31 31 ALA H H 1 8.638 0.003 . 1 . . . . . 353 ALA H . 27630 1 126 . 1 1 31 31 ALA CA C 13 50.196 0.002 . 1 . . . . . 353 ALA CA . 27630 1 127 . 1 1 31 31 ALA CB C 13 17.696 0.000 . 1 . . . . . 353 ALA CB . 27630 1 128 . 1 1 31 31 ALA N N 15 130.367 0.038 . 1 . . . . . 353 ALA N . 27630 1 129 . 1 1 32 32 PRO C C 13 176.012 0.000 . 1 . . . . . 354 PRO C . 27630 1 130 . 1 1 32 32 PRO CA C 13 59.281 0.004 . 1 . . . . . 354 PRO CA . 27630 1 131 . 1 1 33 33 VAL H H 1 8.681 0.003 . 1 . . . . . 355 VAL H . 27630 1 132 . 1 1 33 33 VAL C C 13 176.358 0.000 . 1 . . . . . 355 VAL C . 27630 1 133 . 1 1 33 33 VAL CA C 13 59.068 0.040 . 1 . . . . . 355 VAL CA . 27630 1 134 . 1 1 33 33 VAL N N 15 123.765 0.065 . 1 . . . . . 355 VAL N . 27630 1 135 . 1 1 34 34 PHE H H 1 8.695 0.002 . 1 . . . . . 356 PHE H . 27630 1 136 . 1 1 34 34 PHE C C 13 176.275 0.000 . 1 . . . . . 356 PHE C . 27630 1 137 . 1 1 34 34 PHE CA C 13 55.876 0.030 . 1 . . . . . 356 PHE CA . 27630 1 138 . 1 1 34 34 PHE CB C 13 38.502 0.000 . 1 . . . . . 356 PHE CB . 27630 1 139 . 1 1 34 34 PHE N N 15 124.685 0.057 . 1 . . . . . 356 PHE N . 27630 1 140 . 1 1 35 35 LYS H H 1 8.460 0.002 . 1 . . . . . 357 LYS H . 27630 1 141 . 1 1 35 35 LYS CA C 13 55.717 0.017 . 1 . . . . . 357 LYS CA . 27630 1 142 . 1 1 35 35 LYS CB C 13 32.005 0.000 . 1 . . . . . 357 LYS CB . 27630 1 143 . 1 1 35 35 LYS N N 15 123.455 0.035 . 1 . . . . . 357 LYS N . 27630 1 144 . 1 1 36 36 LYS C C 13 176.701 0.000 . 1 . . . . . 358 LYS C . 27630 1 145 . 1 1 36 36 LYS CA C 13 55.560 0.006 . 1 . . . . . 358 LYS CA . 27630 1 146 . 1 1 36 36 LYS CB C 13 31.838 0.000 . 1 . . . . . 358 LYS CB . 27630 1 147 . 1 1 37 37 ARG H H 1 8.737 0.001 . 1 . . . . . 359 ARG H . 27630 1 148 . 1 1 37 37 ARG CA C 13 55.261 0.042 . 1 . . . . . 359 ARG CA . 27630 1 149 . 1 1 37 37 ARG CB C 13 30.221 0.000 . 1 . . . . . 359 ARG CB . 27630 1 150 . 1 1 37 37 ARG N N 15 124.365 0.103 . 1 . . . . . 359 ARG N . 27630 1 151 . 1 1 38 38 ARG H H 1 8.771 0.004 . 1 . . . . . 360 ARG H . 27630 1 152 . 1 1 38 38 ARG C C 13 176.731 0.000 . 1 . . . . . 360 ARG C . 27630 1 153 . 1 1 38 38 ARG CA C 13 55.964 0.017 . 1 . . . . . 360 ARG CA . 27630 1 154 . 1 1 38 38 ARG CB C 13 29.946 0.047 . 1 . . . . . 360 ARG CB . 27630 1 155 . 1 1 38 38 ARG N N 15 123.314 0.022 . 1 . . . . . 360 ARG N . 27630 1 156 . 1 1 39 39 THR H H 1 8.273 0.002 . 1 . . . . . 361 THR H . 27630 1 157 . 1 1 39 39 THR C C 13 174.867 0.000 . 1 . . . . . 361 THR C . 27630 1 158 . 1 1 39 39 THR CA C 13 61.511 0.045 . 1 . . . . . 361 THR CA . 27630 1 159 . 1 1 39 39 THR CB C 13 69.035 0.000 . 1 . . . . . 361 THR CB . 27630 1 160 . 1 1 39 39 THR N N 15 115.902 0.016 . 1 . . . . . 361 THR N . 27630 1 161 . 1 1 40 40 GLU H H 1 8.650 0.002 . 1 . . . . . 362 GLU H . 27630 1 162 . 1 1 40 40 GLU C C 13 176.531 0.000 . 1 . . . . . 362 GLU C . 27630 1 163 . 1 1 40 40 GLU CA C 13 56.461 0.042 . 1 . . . . . 362 GLU CA . 27630 1 164 . 1 1 40 40 GLU CB C 13 29.347 0.009 . 1 . . . . . 362 GLU CB . 27630 1 165 . 1 1 40 40 GLU N N 15 122.879 0.046 . 1 . . . . . 362 GLU N . 27630 1 166 . 1 1 41 41 ASN H H 1 8.466 0.003 . 1 . . . . . 363 ASN H . 27630 1 167 . 1 1 41 41 ASN C C 13 176.082 0.000 . 1 . . . . . 363 ASN C . 27630 1 168 . 1 1 41 41 ASN CA C 13 53.413 0.009 . 1 . . . . . 363 ASN CA . 27630 1 169 . 1 1 41 41 ASN CB C 13 38.164 0.035 . 1 . . . . . 363 ASN CB . 27630 1 170 . 1 1 41 41 ASN N N 15 119.308 0.024 . 1 . . . . . 363 ASN N . 27630 1 171 . 1 1 42 42 GLY H H 1 8.501 0.001 . 1 . . . . . 364 GLY H . 27630 1 172 . 1 1 42 42 GLY C C 13 174.471 0.000 . 1 . . . . . 364 GLY C . 27630 1 173 . 1 1 42 42 GLY CA C 13 45.349 0.020 . 1 . . . . . 364 GLY CA . 27630 1 174 . 1 1 42 42 GLY N N 15 109.537 0.042 . 1 . . . . . 364 GLY N . 27630 1 175 . 1 1 43 43 LYS H H 1 7.998 0.002 . 1 . . . . . 365 LYS H . 27630 1 176 . 1 1 43 43 LYS C C 13 176.814 0.000 . 1 . . . . . 365 LYS C . 27630 1 177 . 1 1 43 43 LYS CA C 13 55.901 0.053 . 1 . . . . . 365 LYS CA . 27630 1 178 . 1 1 43 43 LYS CB C 13 32.078 0.008 . 1 . . . . . 365 LYS CB . 27630 1 179 . 1 1 43 43 LYS N N 15 120.595 0.015 . 1 . . . . . 365 LYS N . 27630 1 180 . 1 1 44 44 SER H H 1 8.429 0.004 . 1 . . . . . 366 SER H . 27630 1 181 . 1 1 44 44 SER C C 13 174.459 0.000 . 1 . . . . . 366 SER C . 27630 1 182 . 1 1 44 44 SER CA C 13 57.905 0.021 . 1 . . . . . 366 SER CA . 27630 1 183 . 1 1 44 44 SER CB C 13 63.030 0.021 . 1 . . . . . 366 SER CB . 27630 1 184 . 1 1 44 44 SER N N 15 117.006 0.025 . 1 . . . . . 366 SER N . 27630 1 185 . 1 1 45 45 ARG H H 1 8.312 0.004 . 1 . . . . . 367 ARG H . 27630 1 186 . 1 1 45 45 ARG C C 13 175.344 0.000 . 1 . . . . . 367 ARG C . 27630 1 187 . 1 1 45 45 ARG CA C 13 55.948 0.039 . 1 . . . . . 367 ARG CA . 27630 1 188 . 1 1 45 45 ARG CB C 13 30.380 0.000 . 1 . . . . . 367 ARG CB . 27630 1 189 . 1 1 45 45 ARG N N 15 123.338 0.112 . 1 . . . . . 367 ARG N . 27630 1 190 . 1 1 46 46 ASN H H 1 8.330 0.001 . 1 . . . . . 368 ASN H . 27630 1 191 . 1 1 46 46 ASN C C 13 173.787 0.000 . 1 . . . . . 368 ASN C . 27630 1 192 . 1 1 46 46 ASN CA C 13 52.924 0.047 . 1 . . . . . 368 ASN CA . 27630 1 193 . 1 1 46 46 ASN CB C 13 38.734 0.000 . 1 . . . . . 368 ASN CB . 27630 1 194 . 1 1 46 46 ASN N N 15 121.893 0.060 . 1 . . . . . 368 ASN N . 27630 1 195 . 1 1 47 47 LEU H H 1 8.098 0.003 . 1 . . . . . 369 LEU H . 27630 1 196 . 1 1 47 47 LEU C C 13 178.419 0.000 . 1 . . . . . 369 LEU C . 27630 1 197 . 1 1 47 47 LEU CA C 13 53.863 0.029 . 1 . . . . . 369 LEU CA . 27630 1 198 . 1 1 47 47 LEU CB C 13 41.034 0.065 . 1 . . . . . 369 LEU CB . 27630 1 199 . 1 1 47 47 LEU N N 15 121.212 0.041 . 1 . . . . . 369 LEU N . 27630 1 200 . 1 1 48 48 ARG H H 1 8.242 0.002 . 1 . . . . . 370 ARG H . 27630 1 201 . 1 1 48 48 ARG C C 13 176.215 0.000 . 1 . . . . . 370 ARG C . 27630 1 202 . 1 1 48 48 ARG CA C 13 56.580 0.033 . 1 . . . . . 370 ARG CA . 27630 1 203 . 1 1 48 48 ARG N N 15 122.576 0.042 . 1 . . . . . 370 ARG N . 27630 1 204 . 1 1 49 49 GLN H H 1 8.749 0.004 . 1 . . . . . 371 GLN H . 27630 1 205 . 1 1 49 49 GLN C C 13 176.180 0.000 . 1 . . . . . 371 GLN C . 27630 1 206 . 1 1 49 49 GLN CA C 13 54.781 0.062 . 1 . . . . . 371 GLN CA . 27630 1 207 . 1 1 49 49 GLN CB C 13 29.294 0.000 . 1 . . . . . 371 GLN CB . 27630 1 208 . 1 1 49 49 GLN N N 15 125.326 0.077 . 1 . . . . . 371 GLN N . 27630 1 209 . 1 1 50 50 ARG H H 1 8.647 0.004 . 1 . . . . . 372 ARG H . 27630 1 210 . 1 1 50 50 ARG C C 13 177.345 0.000 . 1 . . . . . 372 ARG C . 27630 1 211 . 1 1 50 50 ARG CA C 13 56.561 0.030 . 1 . . . . . 372 ARG CA . 27630 1 212 . 1 1 50 50 ARG CB C 13 30.275 0.002 . 1 . . . . . 372 ARG CB . 27630 1 213 . 1 1 50 50 ARG N N 15 123.195 0.045 . 1 . . . . . 372 ARG N . 27630 1 214 . 1 1 51 51 GLY H H 1 8.603 0.002 . 1 . . . . . 373 GLY H . 27630 1 215 . 1 1 51 51 GLY C C 13 173.831 0.000 . 1 . . . . . 373 GLY C . 27630 1 216 . 1 1 51 51 GLY CA C 13 44.646 0.007 . 1 . . . . . 373 GLY CA . 27630 1 217 . 1 1 51 51 GLY N N 15 110.683 0.016 . 1 . . . . . 373 GLY N . 27630 1 218 . 1 1 52 52 ASP H H 1 8.353 0.001 . 1 . . . . . 374 ASP H . 27630 1 219 . 1 1 52 52 ASP C C 13 176.166 0.000 . 1 . . . . . 374 ASP C . 27630 1 220 . 1 1 52 52 ASP CA C 13 53.999 0.014 . 1 . . . . . 374 ASP CA . 27630 1 221 . 1 1 52 52 ASP CB C 13 40.803 0.000 . 1 . . . . . 374 ASP CB . 27630 1 222 . 1 1 52 52 ASP N N 15 120.190 0.011 . 1 . . . . . 374 ASP N . 27630 1 223 . 1 1 53 53 ASP H H 1 8.439 0.001 . 1 . . . . . 375 ASP H . 27630 1 224 . 1 1 53 53 ASP C C 13 175.291 0.000 . 1 . . . . . 375 ASP C . 27630 1 225 . 1 1 53 53 ASP CA C 13 54.064 0.019 . 1 . . . . . 375 ASP CA . 27630 1 226 . 1 1 53 53 ASP CB C 13 40.478 0.051 . 1 . . . . . 375 ASP CB . 27630 1 227 . 1 1 53 53 ASP N N 15 120.605 0.022 . 1 . . . . . 375 ASP N . 27630 1 228 . 1 1 54 54 GLN H H 1 7.875 0.001 . 1 . . . . . 376 GLN H . 27630 1 229 . 1 1 54 54 GLN CA C 13 57.006 0.014 . 1 . . . . . 376 GLN CA . 27630 1 230 . 1 1 54 54 GLN CB C 13 29.761 0.000 . 1 . . . . . 376 GLN CB . 27630 1 231 . 1 1 54 54 GLN N N 15 124.590 0.014 . 1 . . . . . 376 GLN N . 27630 1 stop_ save_