data_53605 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53605 _Entry.Title ; 1H, 15N chemical shift assignments for residues 2203-2284 of the FNIII12-14-V0-FNIII15 fragment of fibronectin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-03-06 _Entry.Accession_date 2026-03-06 _Entry.Last_release_date 2026-03-06 _Entry.Original_release_date 2026-03-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Paige Banks . . . . 53605 2 Eve Blumson . . . . 53605 3 Susan Craig . E. . . 53605 4 Janet Askari . A. . . 53605 5 Jonathan Humphries . D. . . 53605 6 Richard Tunnicliffe . B. . . 53605 7 Martin Humphries . J. . . 53605 8 Jonathan Waltho . P. . . 53605 9 Matthew Cliff . J. . . 53605 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53605 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 77 53605 '1H chemical shifts' 77 53605 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-11-01 . original BMRB . 53605 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53599 '1H, 13C, 15N chemical shift assignments and 15N relaxation data for the FNIII14-V120-FNIII15 fragment of fibronectinI' 53605 BMRB 53603 ; 1H, 13C, 15N chemical shift assignments and 15N heteronuclear NOEs for residues 2083-2284 of the FNIII12-14-V120-FNIII15 fragment of fibronectin ; 53605 BMRB 53606 '1H, 15N chemical shift assignments for residues 2082-2284 of the FNIII12-14-V89-FNIII15 fragment of fibronectin' 53605 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53605 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 42833290 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural characterisation of the IIICS-containing region of fibronectin: Splice variants define propensity for long-range interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full 'Journal of structural biology' _Citation.Journal_volume 218 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-8657 _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 108379 _Citation.Page_last 108379 _Citation.Year 2026 _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 Paige Banks P. . . . 53605 1 2 Eve Blumson E. . . . 53605 1 3 Richard Tunnicliffe R. B. . . 53605 1 4 Sue Craig S. E. . . 53605 1 5 Janet Askari J. A. . . 53605 1 6 Jonathan Humphries J. D. . . 53605 1 7 Martin Humphries M. J. . . 53605 1 8 Jonathan Waltho J. P. . . 53605 1 9 Matthew Cliff M. J. . . 53605 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53605 _Assembly.ID 1 _Assembly.Name '12-15FnIII fragment of fibronectin' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 '12-15FnIII fragment of fibronectin' 1 $entity_1 . . yes native no no . . . 53605 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53605 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AIPAPTDLKFTQVTPTSLSA QWTPPNVQLTGYRVRVTPKE KTGPMKEINLAPDSSSVVVS GLMVATKYEVSVYALKDTLT SRPAQGVVTTLENVSPPRRA RVTDATETTITISWRTKTET ITGFQVDAVPANGQTPIQRT IKPDVRSYTITGLQPGTDYK IYLYTLNDNARSSPVVIDAS TAIDAPSNLRFLATTPNSLL VSWQPPRARITGYIIKYEKP GSPPREVVPRPRPGVTEATI TGLEPGTEYTIYVIALKNNQ KSEPLIGRKKTGQEALSQTT ISWAPFQDTSEYIISCHPVG TDEEPLQFRVPGTSTSATLT GLTRGATYNVIVEALKDQQR HKVREEVVTVGNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 353 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1805 ALA . 53605 1 2 1806 ILE . 53605 1 3 1807 PRO . 53605 1 4 1808 ALA . 53605 1 5 1809 PRO . 53605 1 6 1810 THR . 53605 1 7 1811 ASP . 53605 1 8 1812 LEU . 53605 1 9 1813 LYS . 53605 1 10 1814 PHE . 53605 1 11 1815 THR . 53605 1 12 1816 GLN . 53605 1 13 1817 VAL . 53605 1 14 1818 THR . 53605 1 15 1819 PRO . 53605 1 16 1820 THR . 53605 1 17 1821 SER . 53605 1 18 1822 LEU . 53605 1 19 1823 SER . 53605 1 20 1824 ALA . 53605 1 21 1825 GLN . 53605 1 22 1826 TRP . 53605 1 23 1827 THR . 53605 1 24 1828 PRO . 53605 1 25 1829 PRO . 53605 1 26 1830 ASN . 53605 1 27 1831 VAL . 53605 1 28 1832 GLN . 53605 1 29 1833 LEU . 53605 1 30 1834 THR . 53605 1 31 1835 GLY . 53605 1 32 1836 TYR . 53605 1 33 1837 ARG . 53605 1 34 1838 VAL . 53605 1 35 1839 ARG . 53605 1 36 1840 VAL . 53605 1 37 1841 THR . 53605 1 38 1842 PRO . 53605 1 39 1843 LYS . 53605 1 40 1844 GLU . 53605 1 41 1845 LYS . 53605 1 42 1846 THR . 53605 1 43 1847 GLY . 53605 1 44 1848 PRO . 53605 1 45 1849 MET . 53605 1 46 1850 LYS . 53605 1 47 1851 GLU . 53605 1 48 1852 ILE . 53605 1 49 1853 ASN . 53605 1 50 1854 LEU . 53605 1 51 1855 ALA . 53605 1 52 1856 PRO . 53605 1 53 1857 ASP . 53605 1 54 1858 SER . 53605 1 55 1859 SER . 53605 1 56 1860 SER . 53605 1 57 1861 VAL . 53605 1 58 1862 VAL . 53605 1 59 1863 VAL . 53605 1 60 1864 SER . 53605 1 61 1865 GLY . 53605 1 62 1866 LEU . 53605 1 63 1867 MET . 53605 1 64 1868 VAL . 53605 1 65 1869 ALA . 53605 1 66 1870 THR . 53605 1 67 1871 LYS . 53605 1 68 1872 TYR . 53605 1 69 1873 GLU . 53605 1 70 1874 VAL . 53605 1 71 1875 SER . 53605 1 72 1876 VAL . 53605 1 73 1877 TYR . 53605 1 74 1878 ALA . 53605 1 75 1879 LEU . 53605 1 76 1880 LYS . 53605 1 77 1881 ASP . 53605 1 78 1882 THR . 53605 1 79 1883 LEU . 53605 1 80 1884 THR . 53605 1 81 1885 SER . 53605 1 82 1886 ARG . 53605 1 83 1887 PRO . 53605 1 84 1888 ALA . 53605 1 85 1889 GLN . 53605 1 86 1890 GLY . 53605 1 87 1891 VAL . 53605 1 88 1892 VAL . 53605 1 89 1893 THR . 53605 1 90 1894 THR . 53605 1 91 1895 LEU . 53605 1 92 1896 GLU . 53605 1 93 1897 ASN . 53605 1 94 1898 VAL . 53605 1 95 1899 SER . 53605 1 96 1900 PRO . 53605 1 97 1901 PRO . 53605 1 98 1902 ARG . 53605 1 99 1903 ARG . 53605 1 100 1904 ALA . 53605 1 101 1905 ARG . 53605 1 102 1906 VAL . 53605 1 103 1907 THR . 53605 1 104 1908 ASP . 53605 1 105 1909 ALA . 53605 1 106 1910 THR . 53605 1 107 1911 GLU . 53605 1 108 1912 THR . 53605 1 109 1913 THR . 53605 1 110 1914 ILE . 53605 1 111 1915 THR . 53605 1 112 1916 ILE . 53605 1 113 1917 SER . 53605 1 114 1918 TRP . 53605 1 115 1919 ARG . 53605 1 116 1920 THR . 53605 1 117 1921 LYS . 53605 1 118 1922 THR . 53605 1 119 1923 GLU . 53605 1 120 1924 THR . 53605 1 121 1925 ILE . 53605 1 122 1926 THR . 53605 1 123 1927 GLY . 53605 1 124 1928 PHE . 53605 1 125 1929 GLN . 53605 1 126 1930 VAL . 53605 1 127 1931 ASP . 53605 1 128 1932 ALA . 53605 1 129 1933 VAL . 53605 1 130 1934 PRO . 53605 1 131 1935 ALA . 53605 1 132 1936 ASN . 53605 1 133 1937 GLY . 53605 1 134 1938 GLN . 53605 1 135 1939 THR . 53605 1 136 1940 PRO . 53605 1 137 1941 ILE . 53605 1 138 1942 GLN . 53605 1 139 1943 ARG . 53605 1 140 1944 THR . 53605 1 141 1945 ILE . 53605 1 142 1946 LYS . 53605 1 143 1947 PRO . 53605 1 144 1948 ASP . 53605 1 145 1949 VAL . 53605 1 146 1950 ARG . 53605 1 147 1951 SER . 53605 1 148 1952 TYR . 53605 1 149 1953 THR . 53605 1 150 1954 ILE . 53605 1 151 1955 THR . 53605 1 152 1956 GLY . 53605 1 153 1957 LEU . 53605 1 154 1958 GLN . 53605 1 155 1959 PRO . 53605 1 156 1960 GLY . 53605 1 157 1961 THR . 53605 1 158 1962 ASP . 53605 1 159 1963 TYR . 53605 1 160 1964 LYS . 53605 1 161 1965 ILE . 53605 1 162 1966 TYR . 53605 1 163 1967 LEU . 53605 1 164 1968 TYR . 53605 1 165 1969 THR . 53605 1 166 1970 LEU . 53605 1 167 1971 ASN . 53605 1 168 1972 ASP . 53605 1 169 1973 ASN . 53605 1 170 1974 ALA . 53605 1 171 1975 ARG . 53605 1 172 1976 SER . 53605 1 173 1977 SER . 53605 1 174 1978 PRO . 53605 1 175 1979 VAL . 53605 1 176 1980 VAL . 53605 1 177 1981 ILE . 53605 1 178 1982 ASP . 53605 1 179 1983 ALA . 53605 1 180 1984 SER . 53605 1 181 1985 THR . 53605 1 182 1986 ALA . 53605 1 183 1987 ILE . 53605 1 184 1988 ASP . 53605 1 185 1989 ALA . 53605 1 186 1990 PRO . 53605 1 187 1991 SER . 53605 1 188 1992 ASN . 53605 1 189 1993 LEU . 53605 1 190 1994 ARG . 53605 1 191 1995 PHE . 53605 1 192 1996 LEU . 53605 1 193 1997 ALA . 53605 1 194 1998 THR . 53605 1 195 1999 THR . 53605 1 196 2000 PRO . 53605 1 197 2001 ASN . 53605 1 198 2002 SER . 53605 1 199 2003 LEU . 53605 1 200 2004 LEU . 53605 1 201 2005 VAL . 53605 1 202 2006 SER . 53605 1 203 2007 TRP . 53605 1 204 2008 GLN . 53605 1 205 2009 PRO . 53605 1 206 2010 PRO . 53605 1 207 2011 ARG . 53605 1 208 2012 ALA . 53605 1 209 2013 ARG . 53605 1 210 2014 ILE . 53605 1 211 2015 THR . 53605 1 212 2016 GLY . 53605 1 213 2017 TYR . 53605 1 214 2018 ILE . 53605 1 215 2019 ILE . 53605 1 216 2020 LYS . 53605 1 217 2021 TYR . 53605 1 218 2022 GLU . 53605 1 219 2023 LYS . 53605 1 220 2024 PRO . 53605 1 221 2025 GLY . 53605 1 222 2026 SER . 53605 1 223 2027 PRO . 53605 1 224 2028 PRO . 53605 1 225 2029 ARG . 53605 1 226 2030 GLU . 53605 1 227 2031 VAL . 53605 1 228 2032 VAL . 53605 1 229 2033 PRO . 53605 1 230 2034 ARG . 53605 1 231 2035 PRO . 53605 1 232 2036 ARG . 53605 1 233 2037 PRO . 53605 1 234 2038 GLY . 53605 1 235 2039 VAL . 53605 1 236 2040 THR . 53605 1 237 2041 GLU . 53605 1 238 2042 ALA . 53605 1 239 2043 THR . 53605 1 240 2044 ILE . 53605 1 241 2045 THR . 53605 1 242 2046 GLY . 53605 1 243 2047 LEU . 53605 1 244 2048 GLU . 53605 1 245 2049 PRO . 53605 1 246 2050 GLY . 53605 1 247 2051 THR . 53605 1 248 2052 GLU . 53605 1 249 2053 TYR . 53605 1 250 2054 THR . 53605 1 251 2055 ILE . 53605 1 252 2056 TYR . 53605 1 253 2057 VAL . 53605 1 254 2058 ILE . 53605 1 255 2059 ALA . 53605 1 256 2060 LEU . 53605 1 257 2061 LYS . 53605 1 258 2062 ASN . 53605 1 259 2063 ASN . 53605 1 260 2064 GLN . 53605 1 261 2065 LYS . 53605 1 262 2066 SER . 53605 1 263 2067 GLU . 53605 1 264 2068 PRO . 53605 1 265 2069 LEU . 53605 1 266 2070 ILE . 53605 1 267 2071 GLY . 53605 1 268 2072 ARG . 53605 1 269 2073 LYS . 53605 1 270 2074 LYS . 53605 1 271 2075 THR . 53605 1 272 2076 GLY . 53605 1 273 2077 GLN . 53605 1 274 2078 GLU . 53605 1 275 2079 ALA . 53605 1 276 2080 LEU . 53605 1 277 2081 SER . 53605 1 278 2082 GLN . 53605 1 279 2083 THR . 53605 1 280 2084 THR . 53605 1 281 2085 ILE . 53605 1 282 2086 SER . 53605 1 283 2087 TRP . 53605 1 284 2088 ALA . 53605 1 285 2089 PRO . 53605 1 286 2090 PHE . 53605 1 287 2091 GLN . 53605 1 288 2092 ASP . 53605 1 289 2093 THR . 53605 1 290 2094 SER . 53605 1 291 2095 GLU . 53605 1 292 2096 TYR . 53605 1 293 2097 ILE . 53605 1 294 2098 ILE . 53605 1 295 2099 SER . 53605 1 296 2100 CYS . 53605 1 297 2101 HIS . 53605 1 298 2102 PRO . 53605 1 299 2103 VAL . 53605 1 300 2104 GLY . 53605 1 301 2105 THR . 53605 1 302 2106 ASP . 53605 1 303 2107 GLU . 53605 1 304 2108 GLU . 53605 1 305 2109 PRO . 53605 1 306 2110 LEU . 53605 1 307 2111 GLN . 53605 1 308 2112 PHE . 53605 1 309 2113 ARG . 53605 1 310 2114 VAL . 53605 1 311 2115 PRO . 53605 1 312 2116 GLY . 53605 1 313 2117 THR . 53605 1 314 2118 SER . 53605 1 315 2119 THR . 53605 1 316 2120 SER . 53605 1 317 2121 ALA . 53605 1 318 2122 THR . 53605 1 319 2123 LEU . 53605 1 320 2124 THR . 53605 1 321 2125 GLY . 53605 1 322 2126 LEU . 53605 1 323 2127 THR . 53605 1 324 2128 ARG . 53605 1 325 2129 GLY . 53605 1 326 2130 ALA . 53605 1 327 2131 THR . 53605 1 328 2132 TYR . 53605 1 329 2133 ASN . 53605 1 330 2134 VAL . 53605 1 331 2135 ILE . 53605 1 332 2136 VAL . 53605 1 333 2137 GLU . 53605 1 334 2138 ALA . 53605 1 335 2139 LEU . 53605 1 336 2140 LYS . 53605 1 337 2141 ASP . 53605 1 338 2142 GLN . 53605 1 339 2143 GLN . 53605 1 340 2144 ARG . 53605 1 341 2145 HIS . 53605 1 342 2146 LYS . 53605 1 343 2147 VAL . 53605 1 344 2148 ARG . 53605 1 345 2149 GLU . 53605 1 346 2150 GLU . 53605 1 347 2151 VAL . 53605 1 348 2152 VAL . 53605 1 349 2153 THR . 53605 1 350 2154 VAL . 53605 1 351 2155 GLY . 53605 1 352 2156 ASN . 53605 1 353 2157 SER . 53605 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 . ALA 1 1 53605 1 . ILE 2 2 53605 1 . PRO 3 3 53605 1 . ALA 4 4 53605 1 . PRO 5 5 53605 1 . THR 6 6 53605 1 . ASP 7 7 53605 1 . LEU 8 8 53605 1 . LYS 9 9 53605 1 . PHE 10 10 53605 1 . THR 11 11 53605 1 . GLN 12 12 53605 1 . VAL 13 13 53605 1 . THR 14 14 53605 1 . PRO 15 15 53605 1 . THR 16 16 53605 1 . SER 17 17 53605 1 . LEU 18 18 53605 1 . SER 19 19 53605 1 . ALA 20 20 53605 1 . GLN 21 21 53605 1 . TRP 22 22 53605 1 . THR 23 23 53605 1 . PRO 24 24 53605 1 . PRO 25 25 53605 1 . ASN 26 26 53605 1 . VAL 27 27 53605 1 . GLN 28 28 53605 1 . LEU 29 29 53605 1 . THR 30 30 53605 1 . GLY 31 31 53605 1 . TYR 32 32 53605 1 . ARG 33 33 53605 1 . VAL 34 34 53605 1 . ARG 35 35 53605 1 . VAL 36 36 53605 1 . THR 37 37 53605 1 . PRO 38 38 53605 1 . LYS 39 39 53605 1 . GLU 40 40 53605 1 . LYS 41 41 53605 1 . THR 42 42 53605 1 . GLY 43 43 53605 1 . PRO 44 44 53605 1 . MET 45 45 53605 1 . LYS 46 46 53605 1 . GLU 47 47 53605 1 . ILE 48 48 53605 1 . ASN 49 49 53605 1 . LEU 50 50 53605 1 . ALA 51 51 53605 1 . PRO 52 52 53605 1 . ASP 53 53 53605 1 . SER 54 54 53605 1 . SER 55 55 53605 1 . SER 56 56 53605 1 . VAL 57 57 53605 1 . VAL 58 58 53605 1 . VAL 59 59 53605 1 . SER 60 60 53605 1 . GLY 61 61 53605 1 . LEU 62 62 53605 1 . MET 63 63 53605 1 . VAL 64 64 53605 1 . ALA 65 65 53605 1 . THR 66 66 53605 1 . LYS 67 67 53605 1 . TYR 68 68 53605 1 . GLU 69 69 53605 1 . VAL 70 70 53605 1 . SER 71 71 53605 1 . VAL 72 72 53605 1 . TYR 73 73 53605 1 . ALA 74 74 53605 1 . LEU 75 75 53605 1 . LYS 76 76 53605 1 . ASP 77 77 53605 1 . THR 78 78 53605 1 . LEU 79 79 53605 1 . THR 80 80 53605 1 . SER 81 81 53605 1 . ARG 82 82 53605 1 . PRO 83 83 53605 1 . ALA 84 84 53605 1 . GLN 85 85 53605 1 . GLY 86 86 53605 1 . VAL 87 87 53605 1 . VAL 88 88 53605 1 . THR 89 89 53605 1 . THR 90 90 53605 1 . LEU 91 91 53605 1 . GLU 92 92 53605 1 . ASN 93 93 53605 1 . VAL 94 94 53605 1 . SER 95 95 53605 1 . PRO 96 96 53605 1 . PRO 97 97 53605 1 . ARG 98 98 53605 1 . ARG 99 99 53605 1 . ALA 100 100 53605 1 . ARG 101 101 53605 1 . VAL 102 102 53605 1 . THR 103 103 53605 1 . ASP 104 104 53605 1 . ALA 105 105 53605 1 . THR 106 106 53605 1 . GLU 107 107 53605 1 . THR 108 108 53605 1 . THR 109 109 53605 1 . ILE 110 110 53605 1 . THR 111 111 53605 1 . ILE 112 112 53605 1 . SER 113 113 53605 1 . TRP 114 114 53605 1 . ARG 115 115 53605 1 . THR 116 116 53605 1 . LYS 117 117 53605 1 . THR 118 118 53605 1 . GLU 119 119 53605 1 . THR 120 120 53605 1 . ILE 121 121 53605 1 . THR 122 122 53605 1 . GLY 123 123 53605 1 . PHE 124 124 53605 1 . GLN 125 125 53605 1 . VAL 126 126 53605 1 . ASP 127 127 53605 1 . ALA 128 128 53605 1 . VAL 129 129 53605 1 . PRO 130 130 53605 1 . ALA 131 131 53605 1 . ASN 132 132 53605 1 . GLY 133 133 53605 1 . GLN 134 134 53605 1 . THR 135 135 53605 1 . PRO 136 136 53605 1 . ILE 137 137 53605 1 . GLN 138 138 53605 1 . ARG 139 139 53605 1 . THR 140 140 53605 1 . ILE 141 141 53605 1 . LYS 142 142 53605 1 . PRO 143 143 53605 1 . ASP 144 144 53605 1 . VAL 145 145 53605 1 . ARG 146 146 53605 1 . SER 147 147 53605 1 . TYR 148 148 53605 1 . THR 149 149 53605 1 . ILE 150 150 53605 1 . THR 151 151 53605 1 . GLY 152 152 53605 1 . LEU 153 153 53605 1 . GLN 154 154 53605 1 . PRO 155 155 53605 1 . GLY 156 156 53605 1 . THR 157 157 53605 1 . ASP 158 158 53605 1 . TYR 159 159 53605 1 . LYS 160 160 53605 1 . ILE 161 161 53605 1 . TYR 162 162 53605 1 . LEU 163 163 53605 1 . TYR 164 164 53605 1 . THR 165 165 53605 1 . LEU 166 166 53605 1 . ASN 167 167 53605 1 . ASP 168 168 53605 1 . ASN 169 169 53605 1 . ALA 170 170 53605 1 . ARG 171 171 53605 1 . SER 172 172 53605 1 . SER 173 173 53605 1 . PRO 174 174 53605 1 . VAL 175 175 53605 1 . VAL 176 176 53605 1 . ILE 177 177 53605 1 . ASP 178 178 53605 1 . ALA 179 179 53605 1 . SER 180 180 53605 1 . THR 181 181 53605 1 . ALA 182 182 53605 1 . ILE 183 183 53605 1 . ASP 184 184 53605 1 . ALA 185 185 53605 1 . PRO 186 186 53605 1 . SER 187 187 53605 1 . ASN 188 188 53605 1 . LEU 189 189 53605 1 . ARG 190 190 53605 1 . PHE 191 191 53605 1 . LEU 192 192 53605 1 . ALA 193 193 53605 1 . THR 194 194 53605 1 . THR 195 195 53605 1 . PRO 196 196 53605 1 . ASN 197 197 53605 1 . SER 198 198 53605 1 . LEU 199 199 53605 1 . LEU 200 200 53605 1 . VAL 201 201 53605 1 . SER 202 202 53605 1 . TRP 203 203 53605 1 . GLN 204 204 53605 1 . PRO 205 205 53605 1 . PRO 206 206 53605 1 . ARG 207 207 53605 1 . ALA 208 208 53605 1 . ARG 209 209 53605 1 . ILE 210 210 53605 1 . THR 211 211 53605 1 . GLY 212 212 53605 1 . TYR 213 213 53605 1 . ILE 214 214 53605 1 . ILE 215 215 53605 1 . LYS 216 216 53605 1 . TYR 217 217 53605 1 . GLU 218 218 53605 1 . LYS 219 219 53605 1 . PRO 220 220 53605 1 . GLY 221 221 53605 1 . SER 222 222 53605 1 . PRO 223 223 53605 1 . PRO 224 224 53605 1 . ARG 225 225 53605 1 . GLU 226 226 53605 1 . VAL 227 227 53605 1 . VAL 228 228 53605 1 . PRO 229 229 53605 1 . ARG 230 230 53605 1 . PRO 231 231 53605 1 . ARG 232 232 53605 1 . PRO 233 233 53605 1 . GLY 234 234 53605 1 . VAL 235 235 53605 1 . THR 236 236 53605 1 . GLU 237 237 53605 1 . ALA 238 238 53605 1 . THR 239 239 53605 1 . ILE 240 240 53605 1 . THR 241 241 53605 1 . GLY 242 242 53605 1 . LEU 243 243 53605 1 . GLU 244 244 53605 1 . PRO 245 245 53605 1 . GLY 246 246 53605 1 . THR 247 247 53605 1 . GLU 248 248 53605 1 . TYR 249 249 53605 1 . THR 250 250 53605 1 . ILE 251 251 53605 1 . TYR 252 252 53605 1 . VAL 253 253 53605 1 . ILE 254 254 53605 1 . ALA 255 255 53605 1 . LEU 256 256 53605 1 . LYS 257 257 53605 1 . ASN 258 258 53605 1 . ASN 259 259 53605 1 . GLN 260 260 53605 1 . LYS 261 261 53605 1 . SER 262 262 53605 1 . GLU 263 263 53605 1 . PRO 264 264 53605 1 . LEU 265 265 53605 1 . ILE 266 266 53605 1 . GLY 267 267 53605 1 . ARG 268 268 53605 1 . LYS 269 269 53605 1 . LYS 270 270 53605 1 . THR 271 271 53605 1 . GLY 272 272 53605 1 . GLN 273 273 53605 1 . GLU 274 274 53605 1 . ALA 275 275 53605 1 . LEU 276 276 53605 1 . SER 277 277 53605 1 . GLN 278 278 53605 1 . THR 279 279 53605 1 . THR 280 280 53605 1 . ILE 281 281 53605 1 . SER 282 282 53605 1 . TRP 283 283 53605 1 . ALA 284 284 53605 1 . PRO 285 285 53605 1 . PHE 286 286 53605 1 . GLN 287 287 53605 1 . ASP 288 288 53605 1 . THR 289 289 53605 1 . SER 290 290 53605 1 . GLU 291 291 53605 1 . TYR 292 292 53605 1 . ILE 293 293 53605 1 . ILE 294 294 53605 1 . SER 295 295 53605 1 . CYS 296 296 53605 1 . HIS 297 297 53605 1 . PRO 298 298 53605 1 . VAL 299 299 53605 1 . GLY 300 300 53605 1 . THR 301 301 53605 1 . ASP 302 302 53605 1 . GLU 303 303 53605 1 . GLU 304 304 53605 1 . PRO 305 305 53605 1 . LEU 306 306 53605 1 . GLN 307 307 53605 1 . PHE 308 308 53605 1 . ARG 309 309 53605 1 . VAL 310 310 53605 1 . PRO 311 311 53605 1 . GLY 312 312 53605 1 . THR 313 313 53605 1 . SER 314 314 53605 1 . THR 315 315 53605 1 . SER 316 316 53605 1 . ALA 317 317 53605 1 . THR 318 318 53605 1 . LEU 319 319 53605 1 . THR 320 320 53605 1 . GLY 321 321 53605 1 . LEU 322 322 53605 1 . THR 323 323 53605 1 . ARG 324 324 53605 1 . GLY 325 325 53605 1 . ALA 326 326 53605 1 . THR 327 327 53605 1 . TYR 328 328 53605 1 . ASN 329 329 53605 1 . VAL 330 330 53605 1 . ILE 331 331 53605 1 . VAL 332 332 53605 1 . GLU 333 333 53605 1 . ALA 334 334 53605 1 . LEU 335 335 53605 1 . LYS 336 336 53605 1 . ASP 337 337 53605 1 . GLN 338 338 53605 1 . GLN 339 339 53605 1 . ARG 340 340 53605 1 . HIS 341 341 53605 1 . LYS 342 342 53605 1 . VAL 343 343 53605 1 . ARG 344 344 53605 1 . GLU 345 345 53605 1 . GLU 346 346 53605 1 . VAL 347 347 53605 1 . VAL 348 348 53605 1 . THR 349 349 53605 1 . VAL 350 350 53605 1 . GLY 351 351 53605 1 . ASN 352 352 53605 1 . SER 353 353 53605 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53605 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53605 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53605 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Bl21 (DE3)' . . plasmid . . pFLAG-CTC . . . 53605 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53605 _Sample.ID 1 _Sample.Name '12-15FnIII fragment of fibronectin' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 '12-15FnIII fragment of fibronectin' [U-15N] . . 1 $entity_1 . . 0.3 . . mM . . . . 53605 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 53605 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 53605 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 53605 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% (w/v)' . . . . 53605 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 53605 _Sample_condition_list.ID 1 _Sample_condition_list.Name '12-15FnIII fragment of fibronectin' _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' 0.15 . M 53605 1 pH 6.5 . pH 53605 1 pressure 1 . atm 53605 1 temperature 298 . K 53605 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53605 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53605 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53605 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53605 2 processing . 53605 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53605 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz Bruker Avance III spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53605 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53605 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53605 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '1H, 15N chemical shifts of the 12-15FnIII fragment of fibronectin' _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 53605 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53605 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53605 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '1H, 15N chemical shifts for the 12-15FnIII framgent of fibronectin' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53605 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53605 1 2 $software_2 . . 53605 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 232 232 ARG H H 1 8.152674597 . . 1 . . . . . 2036 ARG H . 53605 1 2 . 1 . 1 232 232 ARG N N 15 117.3029494 . . 1 . . . . . 2036 ARG N . 53605 1 3 . 1 . 1 272 272 GLY H H 1 8.515848222 . . 1 . . . . . 2076 GLY H . 53605 1 4 . 1 . 1 272 272 GLY N N 15 112.3365482 . . 1 . . . . . 2076 GLY N . 53605 1 5 . 1 . 1 273 273 GLN H H 1 8.317943917 . . 1 . . . . . 2077 GLN H . 53605 1 6 . 1 . 1 273 273 GLN N N 15 120.1134863 . . 1 . . . . . 2077 GLN N . 53605 1 7 . 1 . 1 275 275 ALA H H 1 8.215796506 . . 1 . . . . . 2079 ALA H . 53605 1 8 . 1 . 1 275 275 ALA N N 15 125.5478391 . . 1 . . . . . 2079 ALA N . 53605 1 9 . 1 . 1 277 277 SER H H 1 8.747932949 . . 1 . . . . . 2081 SER H . 53605 1 10 . 1 . 1 277 277 SER N N 15 117.6699555 . . 1 . . . . . 2081 SER N . 53605 1 11 . 1 . 1 278 278 GLN H H 1 8.285202784 . . 1 . . . . . 2082 GLN H . 53605 1 12 . 1 . 1 278 278 GLN N N 15 119.5358222 . . 1 . . . . . 2082 GLN N . 53605 1 13 . 1 . 1 279 279 THR H H 1 8.284547953 . . 1 . . . . . 2083 THR H . 53605 1 14 . 1 . 1 279 279 THR N N 15 118.9934417 . . 1 . . . . . 2083 THR N . 53605 1 15 . 1 . 1 280 280 THR H H 1 8.685659823 . . 1 . . . . . 2084 THR H . 53605 1 16 . 1 . 1 280 280 THR N N 15 124.1317035 . . 1 . . . . . 2084 THR N . 53605 1 17 . 1 . 1 281 281 ILE H H 1 8.645342991 . . 1 . . . . . 2085 ILE H . 53605 1 18 . 1 . 1 281 281 ILE N N 15 124.9289982 . . 1 . . . . . 2085 ILE N . 53605 1 19 . 1 . 1 282 282 SER H H 1 8.210950773 . . 1 . . . . . 2086 SER H . 53605 1 20 . 1 . 1 282 282 SER N N 15 118.5165589 . . 1 . . . . . 2086 SER N . 53605 1 21 . 1 . 1 283 283 TRP H H 1 7.673914079 . . 1 . . . . . 2087 TRP H . 53605 1 22 . 1 . 1 283 283 TRP N N 15 118.3975767 . . 1 . . . . . 2087 TRP N . 53605 1 23 . 1 . 1 284 284 ALA H H 1 8.368324167 . . 1 . . . . . 2088 ALA H . 53605 1 24 . 1 . 1 284 284 ALA N N 15 124.1055561 . . 1 . . . . . 2088 ALA N . 53605 1 25 . 1 . 1 286 286 PHE H H 1 8.489378997 . . 1 . . . . . 2090 PHE H . 53605 1 26 . 1 . 1 286 286 PHE N N 15 126.083966 . . 1 . . . . . 2090 PHE N . 53605 1 27 . 1 . 1 287 287 GLN H H 1 8.396001452 . . 1 . . . . . 2091 GLN H . 53605 1 28 . 1 . 1 287 287 GLN N N 15 131.1474227 . . 1 . . . . . 2091 GLN N . 53605 1 29 . 1 . 1 288 288 ASP H H 1 8.729080819 . . 1 . . . . . 2092 ASP H . 53605 1 30 . 1 . 1 288 288 ASP N N 15 119.018784 . . 1 . . . . . 2092 ASP N . 53605 1 31 . 1 . 1 289 289 THR H H 1 7.568907323 . . 1 . . . . . 2093 THR H . 53605 1 32 . 1 . 1 289 289 THR N N 15 116.6749692 . . 1 . . . . . 2093 THR N . 53605 1 33 . 1 . 1 290 290 SER H H 1 8.997947349 . . 1 . . . . . 2094 SER H . 53605 1 34 . 1 . 1 290 290 SER N N 15 122.9502213 . . 1 . . . . . 2094 SER N . 53605 1 35 . 1 . 1 291 291 GLU H H 1 7.329903529 . . 1 . . . . . 2095 GLU H . 53605 1 36 . 1 . 1 291 291 GLU N N 15 120.7173243 . . 1 . . . . . 2095 GLU N . 53605 1 37 . 1 . 1 292 292 TYR H H 1 8.9968897 . . 1 . . . . . 2096 TYR H . 53605 1 38 . 1 . 1 292 292 TYR N N 15 118.8118213 . . 1 . . . . . 2096 TYR N . 53605 1 39 . 1 . 1 293 293 ILE H H 1 9.15991332 . . 1 . . . . . 2097 ILE H . 53605 1 40 . 1 . 1 293 293 ILE N N 15 121.2240091 . . 1 . . . . . 2097 ILE N . 53605 1 41 . 1 . 1 294 294 ILE H H 1 9.479286064 . . 1 . . . . . 2098 ILE H . 53605 1 42 . 1 . 1 294 294 ILE N N 15 131.7971035 . . 1 . . . . . 2098 ILE N . 53605 1 43 . 1 . 1 295 295 SER H H 1 9.322368858 . . 1 . . . . . 2099 SER H . 53605 1 44 . 1 . 1 295 295 SER N N 15 123.0776889 . . 1 . . . . . 2099 SER N . 53605 1 45 . 1 . 1 296 296 CYS H H 1 9.101753736 . . 1 . . . . . 2100 CYS H . 53605 1 46 . 1 . 1 296 296 CYS N N 15 123.3687111 . . 1 . . . . . 2100 CYS N . 53605 1 47 . 1 . 1 297 297 HIS H H 1 9.384865915 . . 1 . . . . . 2101 HIS H . 53605 1 48 . 1 . 1 297 297 HIS N N 15 126.3541772 . . 1 . . . . . 2101 HIS N . 53605 1 49 . 1 . 1 299 299 VAL H H 1 8.157715327 . . 1 . . . . . 2103 VAL H . 53605 1 50 . 1 . 1 299 299 VAL N N 15 124.7769473 . . 1 . . . . . 2103 VAL N . 53605 1 51 . 1 . 1 300 300 GLY H H 1 8.863178732 . . 1 . . . . . 2104 GLY H . 53605 1 52 . 1 . 1 300 300 GLY N N 15 114.621313 . . 1 . . . . . 2104 GLY N . 53605 1 53 . 1 . 1 301 301 THR H H 1 7.271664983 . . 1 . . . . . 2105 THR H . 53605 1 54 . 1 . 1 301 301 THR N N 15 109.9830932 . . 1 . . . . . 2105 THR N . 53605 1 55 . 1 . 1 302 302 ASP H H 1 8.455281302 . . 1 . . . . . 2106 ASP H . 53605 1 56 . 1 . 1 302 302 ASP N N 15 120.9563691 . . 1 . . . . . 2106 ASP N . 53605 1 57 . 1 . 1 303 303 GLU H H 1 7.465033976 . . 1 . . . . . 2107 GLU H . 53605 1 58 . 1 . 1 303 303 GLU N N 15 120.4038412 . . 1 . . . . . 2107 GLU N . 53605 1 59 . 1 . 1 304 304 GLU H H 1 8.480618361 . . 1 . . . . . 2108 GLU H . 53605 1 60 . 1 . 1 304 304 GLU N N 15 123.1206963 . . 1 . . . . . 2108 GLU N . 53605 1 61 . 1 . 1 306 306 LEU H H 1 7.992149432 . . 1 . . . . . 2110 LEU H . 53605 1 62 . 1 . 1 306 306 LEU N N 15 122.2668373 . . 1 . . . . . 2110 LEU N . 53605 1 63 . 1 . 1 307 307 GLN H H 1 8.255587651 . . 1 . . . . . 2111 GLN H . 53605 1 64 . 1 . 1 307 307 GLN N N 15 122.465285 . . 1 . . . . . 2111 GLN N . 53605 1 65 . 1 . 1 308 308 PHE H H 1 9.208908669 . . 1 . . . . . 2112 PHE H . 53605 1 66 . 1 . 1 308 308 PHE N N 15 123.3383042 . . 1 . . . . . 2112 PHE N . 53605 1 67 . 1 . 1 309 309 ARG H H 1 8.702846632 . . 1 . . . . . 2113 ARG H . 53605 1 68 . 1 . 1 309 309 ARG N N 15 121.8741361 . . 1 . . . . . 2113 ARG N . 53605 1 69 . 1 . 1 310 310 VAL H H 1 9.006587344 . . 1 . . . . . 2114 VAL H . 53605 1 70 . 1 . 1 310 310 VAL N N 15 118.4907143 . . 1 . . . . . 2114 VAL N . 53605 1 71 . 1 . 1 312 312 GLY H H 1 8.01739172 . . 1 . . . . . 2116 GLY H . 53605 1 72 . 1 . 1 312 312 GLY N N 15 108.0683699 . . 1 . . . . . 2116 GLY N . 53605 1 73 . 1 . 1 313 313 THR H H 1 7.194595146 . . 1 . . . . . 2117 THR H . 53605 1 74 . 1 . 1 313 313 THR N N 15 106.8244829 . . 1 . . . . . 2117 THR N . 53605 1 75 . 1 . 1 314 314 SER H H 1 8.302935041 . . 1 . . . . . 2118 SER H . 53605 1 76 . 1 . 1 314 314 SER N N 15 120.8339834 . . 1 . . . . . 2118 SER N . 53605 1 77 . 1 . 1 315 315 THR H H 1 8.130072552 . . 1 . . . . . 2119 THR H . 53605 1 78 . 1 . 1 315 315 THR N N 15 109.877323 . . 1 . . . . . 2119 THR N . 53605 1 79 . 1 . 1 316 316 SER H H 1 6.675864214 . . 1 . . . . . 2120 SER H . 53605 1 80 . 1 . 1 316 316 SER N N 15 112.4618657 . . 1 . . . . . 2120 SER N . 53605 1 81 . 1 . 1 317 317 ALA H H 1 8.669940157 . . 1 . . . . . 2121 ALA H . 53605 1 82 . 1 . 1 317 317 ALA N N 15 121.6365289 . . 1 . . . . . 2121 ALA N . 53605 1 83 . 1 . 1 318 318 THR H H 1 8.589059356 . . 1 . . . . . 2122 THR H . 53605 1 84 . 1 . 1 318 318 THR N N 15 118.7622635 . . 1 . . . . . 2122 THR N . 53605 1 85 . 1 . 1 319 319 LEU H H 1 9.124203289 . . 1 . . . . . 2123 LEU H . 53605 1 86 . 1 . 1 319 319 LEU N N 15 129.1869648 . . 1 . . . . . 2123 LEU N . 53605 1 87 . 1 . 1 320 320 THR H H 1 7.585345448 . . 1 . . . . . 2124 THR H . 53605 1 88 . 1 . 1 320 320 THR N N 15 117.2948153 . . 1 . . . . . 2124 THR N . 53605 1 89 . 1 . 1 321 321 GLY H H 1 8.526707018 . . 1 . . . . . 2125 GLY H . 53605 1 90 . 1 . 1 321 321 GLY N N 15 108.5960748 . . 1 . . . . . 2125 GLY N . 53605 1 91 . 1 . 1 322 322 LEU H H 1 7.31914929 . . 1 . . . . . 2126 LEU H . 53605 1 92 . 1 . 1 322 322 LEU N N 15 119.9264523 . . 1 . . . . . 2126 LEU N . 53605 1 93 . 1 . 1 323 323 THR H H 1 8.701706825 . . 1 . . . . . 2127 THR H . 53605 1 94 . 1 . 1 323 323 THR N N 15 122.0996721 . . 1 . . . . . 2127 THR N . 53605 1 95 . 1 . 1 324 324 ARG H H 1 8.687908637 . . 1 . . . . . 2128 ARG H . 53605 1 96 . 1 . 1 324 324 ARG N N 15 128.445978 . . 1 . . . . . 2128 ARG N . 53605 1 97 . 1 . 1 325 325 GLY H H 1 8.558991634 . . 1 . . . . . 2129 GLY H . 53605 1 98 . 1 . 1 325 325 GLY N N 15 114.5718364 . . 1 . . . . . 2129 GLY N . 53605 1 99 . 1 . 1 326 326 ALA H H 1 7.752558505 . . 1 . . . . . 2130 ALA H . 53605 1 100 . 1 . 1 326 326 ALA N N 15 124.2283725 . . 1 . . . . . 2130 ALA N . 53605 1 101 . 1 . 1 327 327 THR H H 1 8.251825038 . . 1 . . . . . 2131 THR H . 53605 1 102 . 1 . 1 327 327 THR N N 15 117.3221672 . . 1 . . . . . 2131 THR N . 53605 1 103 . 1 . 1 328 328 TYR H H 1 9.391829654 . . 1 . . . . . 2132 TYR H . 53605 1 104 . 1 . 1 328 328 TYR N N 15 124.6419317 . . 1 . . . . . 2132 TYR N . 53605 1 105 . 1 . 1 329 329 ASN H H 1 9.233711147 . . 1 . . . . . 2133 ASN H . 53605 1 106 . 1 . 1 329 329 ASN N N 15 121.8995911 . . 1 . . . . . 2133 ASN N . 53605 1 107 . 1 . 1 330 330 VAL H H 1 9.410316088 . . 1 . . . . . 2134 VAL H . 53605 1 108 . 1 . 1 330 330 VAL N N 15 129.1072756 . . 1 . . . . . 2134 VAL N . 53605 1 109 . 1 . 1 331 331 ILE H H 1 8.926375324 . . 1 . . . . . 2135 ILE H . 53605 1 110 . 1 . 1 331 331 ILE N N 15 127.2266072 . . 1 . . . . . 2135 ILE N . 53605 1 111 . 1 . 1 332 332 VAL H H 1 8.806189282 . . 1 . . . . . 2136 VAL H . 53605 1 112 . 1 . 1 332 332 VAL N N 15 126.3133389 . . 1 . . . . . 2136 VAL N . 53605 1 113 . 1 . 1 333 333 GLU H H 1 9.175898959 . . 1 . . . . . 2137 GLU H . 53605 1 114 . 1 . 1 333 333 GLU N N 15 126.9126261 . . 1 . . . . . 2137 GLU N . 53605 1 115 . 1 . 1 334 334 ALA H H 1 9.272599029 . . 1 . . . . . 2138 ALA H . 53605 1 116 . 1 . 1 334 334 ALA N N 15 126.0203425 . . 1 . . . . . 2138 ALA N . 53605 1 117 . 1 . 1 335 335 LEU H H 1 8.47010538 . . 1 . . . . . 2139 LEU H . 53605 1 118 . 1 . 1 335 335 LEU N N 15 125.2549049 . . 1 . . . . . 2139 LEU N . 53605 1 119 . 1 . 1 336 336 LYS H H 1 8.56389532 . . 1 . . . . . 2140 LYS H . 53605 1 120 . 1 . 1 336 336 LYS N N 15 126.4155994 . . 1 . . . . . 2140 LYS N . 53605 1 121 . 1 . 1 337 337 ASP H H 1 9.511533716 . . 1 . . . . . 2141 ASP H . 53605 1 122 . 1 . 1 337 337 ASP N N 15 129.8036481 . . 1 . . . . . 2141 ASP N . 53605 1 123 . 1 . 1 338 338 GLN H H 1 8.618075177 . . 1 . . . . . 2142 GLN H . 53605 1 124 . 1 . 1 338 338 GLN N N 15 111.5507702 . . 1 . . . . . 2142 GLN N . 53605 1 125 . 1 . 1 339 339 GLN H H 1 8.044851986 . . 1 . . . . . 2143 GLN H . 53605 1 126 . 1 . 1 339 339 GLN N N 15 120.5355711 . . 1 . . . . . 2143 GLN N . 53605 1 127 . 1 . 1 340 340 ARG H H 1 8.391063198 . . 1 . . . . . 2144 ARG H . 53605 1 128 . 1 . 1 340 340 ARG N N 15 122.0418654 . . 1 . . . . . 2144 ARG N . 53605 1 129 . 1 . 1 341 341 HIS H H 1 8.872263489 . . 1 . . . . . 2145 HIS H . 53605 1 130 . 1 . 1 341 341 HIS N N 15 122.5628838 . . 1 . . . . . 2145 HIS N . 53605 1 131 . 1 . 1 342 342 LYS H H 1 9.091885424 . . 1 . . . . . 2146 LYS H . 53605 1 132 . 1 . 1 342 342 LYS N N 15 127.9307307 . . 1 . . . . . 2146 LYS N . 53605 1 133 . 1 . 1 343 343 VAL H H 1 8.929101944 . . 1 . . . . . 2147 VAL H . 53605 1 134 . 1 . 1 343 343 VAL N N 15 124.3418503 . . 1 . . . . . 2147 VAL N . 53605 1 135 . 1 . 1 344 344 ARG H H 1 7.625049635 . . 1 . . . . . 2148 ARG H . 53605 1 136 . 1 . 1 344 344 ARG N N 15 119.2874096 . . 1 . . . . . 2148 ARG N . 53605 1 137 . 1 . 1 345 345 GLU H H 1 8.461390082 . . 1 . . . . . 2149 GLU H . 53605 1 138 . 1 . 1 345 345 GLU N N 15 124.9100059 . . 1 . . . . . 2149 GLU N . 53605 1 139 . 1 . 1 346 346 GLU H H 1 9.16425761 . . 1 . . . . . 2150 GLU H . 53605 1 140 . 1 . 1 346 346 GLU N N 15 125.1288279 . . 1 . . . . . 2150 GLU N . 53605 1 141 . 1 . 1 347 347 VAL H H 1 8.584396859 . . 1 . . . . . 2151 VAL H . 53605 1 142 . 1 . 1 347 347 VAL N N 15 125.6722529 . . 1 . . . . . 2151 VAL N . 53605 1 143 . 1 . 1 348 348 VAL H H 1 9.196993826 . . 1 . . . . . 2152 VAL H . 53605 1 144 . 1 . 1 348 348 VAL N N 15 127.4111927 . . 1 . . . . . 2152 VAL N . 53605 1 145 . 1 . 1 349 349 THR H H 1 8.802565263 . . 1 . . . . . 2153 THR H . 53605 1 146 . 1 . 1 349 349 THR N N 15 124.3479696 . . 1 . . . . . 2153 THR N . 53605 1 147 . 1 . 1 350 350 VAL H H 1 8.664751529 . . 1 . . . . . 2154 VAL H . 53605 1 148 . 1 . 1 350 350 VAL N N 15 130.1187829 . . 1 . . . . . 2154 VAL N . 53605 1 149 . 1 . 1 351 351 GLY H H 1 8.778985004 . . 1 . . . . . 2155 GLY H . 53605 1 150 . 1 . 1 351 351 GLY N N 15 117.2387601 . . 1 . . . . . 2155 GLY N . 53605 1 151 . 1 . 1 352 352 ASN H H 1 8.283610036 . . 1 . . . . . 2156 ASN H . 53605 1 152 . 1 . 1 352 352 ASN N N 15 119.6948657 . . 1 . . . . . 2156 ASN N . 53605 1 153 . 1 . 1 353 353 SER H H 1 8.380750491 . . 1 . . . . . 2157 SER H . 53605 1 154 . 1 . 1 353 353 SER N N 15 116.7232578 . . 1 . . . . . 2157 SER N . 53605 1 stop_ save_