NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype
632629 6mcf 30511 cing 1-original 2 AMBER stereochemistry chirality


#  chirality for residue 58 atoms:  N C HA2 HA3
 &rst iat=1833,1840,1838,1839, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
#
#  chirality for residue 59 atoms:  CA CG2 CG1 HB
 &rst iat=1844,1848,1852,1847, &end
#
#  chirality for residue 59 atoms:  CB CD1 HG12 HG13
 &rst iat=1846,1855,1853,1854, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=1842,1859,1845,1846, &end
#
#  chirality for residue 60 atoms:  CA OG HB2 HB3
 &rst iat=1863,1868,1866,1867, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=1861,1870,1864,1865, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=1874,1879,1877,1878, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=1872,1891,1875,1876, &end
#
#  chirality for residue 62 atoms:  N C HA2 HA3
 &rst iat=1893,1898,1896,1897, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=1902,1907,1905,1906, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=1904,1910,1908,1909, &end
#
#  chirality for residue 63 atoms:  CG NE HD2 HD3
 &rst iat=1907,1913,1911,1912, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=1900,1922,1903,1904, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=1926,1931,1929,1930, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=1928,1934,1932,1933, &end
#
#  chirality for residue 64 atoms:  CD NZ HE2 HE3
 &rst iat=1934,1940,1938,1939, &end
#
#  chirality for residue 64 atoms:  CG CE HD2 HD3
 &rst iat=1931,1937,1935,1936, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1924,1944,1927,1928, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=1948,1953,1951,1952, &end
#
#  chirality for residue 65 atoms:  CB CD HG2 HG3
 &rst iat=1950,1956,1954,1955, &end
#
#  chirality for residue 65 atoms:  CD NZ HE2 HE3
 &rst iat=1956,1962,1960,1961, &end
#
#  chirality for residue 65 atoms:  CG CE HD2 HD3
 &rst iat=1953,1959,1957,1958, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1946,1966,1949,1950, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1970,1975,1973,1974, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=1972,1978,1976,1977, &end
#
#  chirality for residue 66 atoms:  CG NE HD2 HD3
 &rst iat=1975,1981,1979,1980, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1968,1990,1971,1972, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1994,1999,1997,1998, &end
#
#  chirality for residue 67 atoms:  CB CD HG2 HG3
 &rst iat=1996,2002,2000,2001, &end
#
#  chirality for residue 67 atoms:  CG NE HD2 HD3
 &rst iat=1999,2005,2003,2004, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1992,2014,1995,1996, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=2018,2023,2021,2022, &end
#
#  chirality for residue 68 atoms:  CB CD HG2 HG3
 &rst iat=2020,2026,2024,2025, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=2016,2031,2019,2020, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=2035,2040,2038,2039, &end
#
#  chirality for residue 69 atoms:  CB CD HG2 HG3
 &rst iat=2037,2043,2041,2042, &end
#
#  chirality for residue 69 atoms:  CG NE HD2 HD3
 &rst iat=2040,2046,2044,2045, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=2033,2055,2036,2037, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=2059,2064,2062,2063, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=2061,2067,2065,2066, &end
#
#  chirality for residue 70 atoms:  CG NE HD2 HD3
 &rst iat=2064,2070,2068,2069, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=2057,2079,2060,2061, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=2083,2088,2086,2087, &end
#
#  chirality for residue 71 atoms:  CB CD HG2 HG3
 &rst iat=2085,2091,2089,2090, &end
#
#  chirality for residue 71 atoms:  CG NE HD2 HD3
 &rst iat=2088,2094,2092,2093, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=2081,2103,2084,2085, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=2105,2113,2108,2109, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=2117,2122,2120,2121, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=2115,2130,2118,2119, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=2134,2139,2137,2138, &end
#
#  chirality for residue 74 atoms:  CB CD HG2 HG3
 &rst iat=2136,2142,2140,2141, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=2132,2147,2135,2136, &end
#
#  trans-omega constraint for residue 59
 &rst iat=1844,1842,1840,1837, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 60
 &rst iat=1863,1861,1859,1844, &end
#
#  trans-omega constraint for residue 61
 &rst iat=1874,1872,1870,1863, &end
#
#  trans-omega constraint for residue 62
 &rst iat=1895,1893,1891,1874, &end
#
#  trans-omega constraint for residue 63
 &rst iat=1902,1900,1898,1895, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1926,1924,1922,1902, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1948,1946,1944,1926, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1970,1968,1966,1948, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1994,1992,1990,1970, &end
#
#  trans-omega constraint for residue 68
 &rst iat=2018,2016,2014,1994, &end
#
#  trans-omega constraint for residue 69
 &rst iat=2035,2033,2031,2018, &end
#
#  trans-omega constraint for residue 70
 &rst iat=2059,2057,2055,2035, &end
#
#  trans-omega constraint for residue 71
 &rst iat=2083,2081,2079,2059, &end
#
#  trans-omega constraint for residue 72
 &rst iat=2107,2105,2103,2083, &end
#
#  trans-omega constraint for residue 73
 &rst iat=2117,2115,2113,2107, &end
#
#  trans-omega constraint for residue 74
 &rst iat=2134,2132,2130,2117, &end


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