NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
11896 | 1s75 | cing | 1-original | 5 | AMBER | distance | NOE | simple |
# RANDMARDI distances for exchangeables (31) upper bounds only # interresidue only!! # distance constraint number 1 &rst iat = 6, 5, iresid = 1, atnam(1)='H41',atnam(2)='H2', r1 = 0.00, r2 = 2.000, r3 = 3.390, r4 = 5.390, rk2 =20.000, rk3 =20.000, &end # distance constraint number 2 &rst iat = 6, 5, iresid = 1, atnam(1)='H42',atnam(2)='H2', r1 = 0.00, r2 = 2.000, r3 = 3.490, r4 = 5.490, rk2 =20.000, rk3 =20.000, &end # distance constraint number 3 &rst iat = 12, 8, iresid = 1, atnam(1)='H1',atnam(2)='H2', r1 = 0.00, r2 = 2.000, r3 = 3.600, r4 = 5.600, rk2 =20.000, rk3 =20.000, &end # distance constraint number 4 &rst iat = 12, 9, iresid = 1, atnam(1)='H1',atnam(2)='H41', r1 = 0.00, r2 = 2.000, r3 = 2.380, r4 = 4.380, rk2 =20.000, rk3 =20.000, &end # distance constraint number 5 &rst iat = 13, 8, iresid = 1, atnam(1)='H3',atnam(2)='H2', r1 = 0.000, r2 = 2.000, r3 = 2.550, r4 = 4.550, rk2 =20.000, rk3 =20.000, &end # distance constraint number 6 &rst iat = 13, 12, iresid = 1, atnam(1)='H3',atnam(2)='H1', r1 = 0.00, r2 = 2.000, r3 = 3.480, r4 = 5.480, rk2 =20.000, rk3 =20.000, &end # distance constraint number 7 &rst iat = 14, 6, iresid = 1, atnam(1)='H41',atnam(2)='H42', r1 = 0.00, r2 = 2.000, r3 = 3.380, r4 = 5.380, rk2 =20.000, rk3 =20.000, &end # distance constraint number 8 &rst iat = 14, 6, iresid = 1, atnam(1)='H42',atnam(2)='H42', r1 = 0.00, r2 = 2.000, r3 = 4.160, r4 = 6.160, rk2 =20.000, rk3 =20.000, &end # distance constraint number 9 &rst iat = 15, 5, iresid = 1, atnam(1)='H1',atnam(2)='H2', r1 = 0.00, r2 = 2.000, r3 = 3.690, r4 = 5.690, rk2 =20.000, rk3 =20.000, &end # distance constraint number 10 &rst iat = 15, 6, iresid = 1, atnam(1)='H1',atnam(2)='H41', r1 = 0.00, r2 = 2.000, r3 = 2.470, r4 = 4.470, rk2 =20.000, rk3 =20.000, &end # distance constraint number 11 &rst iat = 15, 6, iresid = 1, atnam(1)='H1',atnam(2)='H42', r1 = 0.00, r2 = 2.000, r3 = 3.730, r4 = 5.730, rk2 =20.000, rk3 =20.000, &end # distance constraint number 12 &rst iat = 17, 5, iresid = 1, atnam(1)='H1',atnam(2)='H2', r1 = 0.00, r2 = 2.000, r3 = 3.470, r4 = 5.470, rk2 =20.000, rk3 =20.000, &end # distance constraint number 13 &rst iat = 18, 2, iresid = 1, atnam(1)='H1',atnam(2)='H3', r1 = 0.00, r2 = 2.000, r3 = 3.760, r4 = 5.760, rk2 =20.000, rk3 =20.000, &end # distance constraint number 14 &rst iat = 18, 3, iresid = 1, atnam(1)='H1',atnam(2)='H41', r1 = 0.00, r2 = 2.000, r3 = 2.400, r4 = 4.400, rk2 =20.000, rk3 =20.000, &end # distance constraint number 15 &rst iat = 18, 3, iresid = 1, atnam(1)='H1',atnam(2)='H42', r1 = 0.00, r2 = 2.000, r3 = 3.780, r4 = 5.780, rk2 =20.000, rk3 =20.000, &end # distance constraint number 16 &rst iat = 18, 17, iresid = 1, atnam(1)='H1',atnam(2)='H1', r1 = 0.00, r2 = 2.000, r3 = 3.340, r4 = 5.340, rk2 =20.000, rk3 =20.000, &end # distance constraint number 17 &rst iat = 19, 2, iresid = 1, atnam(1)='H2',atnam(2)='H3', r1 = 0.00, r2 = 2.000, r3 = 2.540, r4 = 4.540, rk2 =20.000, rk3 =20.000, &end # distance constraint number 18 &rst iat = 19, 18, iresid = 1, atnam(1)='H2',atnam(2)='H1', r1 = 0.00, r2 = 2.000, r3 = 3.290, r4 = 5.290, rk2 =20.000, rk3 =20.000, &end # distance constraint number 19 &rst iat = -1 , 83, igr1 = 49, 50, 51, r1 = 0.00, r2 = 2.000, r3 = 5.420, r4 = 7.420, rk2 =20.000, rk3 =20.000, &end # distance constraint number 20 &rst iat = -1 , 84, igr1 = 49, 50, 51, r1 = 0.00, r2 = 2.000, r3 = 3.750, r4 = 5.750, rk2 =20.000, rk3 =20.000, &end # distance constraint number 21 &rst iat = 4, 5, iresid = 1, atnam(1)='H41',atnam(2)='H2', r1 = 0.00, r2 = 2.000, r3 = 3.400, r4 = 5.400, rk2 =20.000, rk3 =20.000, &end # distance constraint number 22 &rst iat = 4, 17, iresid = 1, atnam(1)='H41',atnam(2)='H1', r1 = 0.00, r2 = 2.000, r3 = 2.450, r4 = 4.450, rk2 =20.000, rk3 =20.000, &end # distance constraint number 23 &rst iat = 4, 5, iresid = 1, atnam(1)='H42',atnam(2)='H2', r1 = 0.00, r2 = 2.000, r3 = 3.630, r4 = 5.630, rk2 =20.000, rk3 =20.000, &end # distance constraint number 24 &rst iat = 4, 17, iresid = 1, atnam(1)='H42',atnam(2)='H1', r1 = 0.00, r2 = 2.000, r3 = 3.980, r4 = 5.980, rk2 =20.000, rk3 =20.000, &end # distance constraint number 25 &rst iat = 7, 8, iresid = 1, atnam(1)='H1',atnam(2)='H2', r1 = 0.00, r2 = 2.000, r3 = 3.510, r4 = 5.510, rk2 =20.000, rk3 =20.000, &end # distance constraint number 26 &rst iat = 7, 13, iresid = 1, atnam(1)='H1',atnam(2)='H3', r1 = 0.00, r2 = 2.000, r3 = 3.590, r4 = 5.590, rk2 =20.000, rk3 =20.000, &end # distance constraint number 27 &rst iat = 7, 14, iresid = 1, atnam(1)='H1',atnam(2)='H41', r1 = 0.00, r2 = 2.000, r3 = 2.380, r4 = 4.380, rk2 =20.000, rk3 =20.000, &end # distance constraint number 28 &rst iat = 7, 14, iresid = 1, atnam(1)='H1',atnam(2)='H42', r1 = 0.00, r2 = 2.000, r3 = 3.930, r4 = 5.930, rk2 =20.000, rk3 =20.000, &end # distance constraint number 29 &rst iat = -1 , 427, igr1 = 393, 394, 395, r1 = 0.00, r2 = 2.000, r3 = 4.760, r4 = 6.760, rk2 =20.000, rk3 =20.000, &end # distance constraint number 30 &rst iat = -1 , 428, igr1 = 393, 394, 395, r1 = 0.00, r2 = 2.000, r3 = 3.580, r4 = 5.580, rk2 =20.000, rk3 =20.000, &end # distance constraint number 31 &rst iat = 1, 20, iresid = 1, atnam(1)='H1',atnam(2)='H41', r1 = 0.00, r2 = 2.000, r3 = 3.240, r4 = 5.240, rk2 =20.000, rk3 =20.000, &end
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