NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
11895 | 1s75 | cing | 1-original | 4 | AMBER | distance | NOE | simple |
# qualitative restraints from NOESY D2O (sequential; 20) # and low (< 33%) RANDMARDI D2O hits (3) # distance constraint number 1 &rst iat = 2, 3, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.000, r2 = 2.000, r3 = 4.500, r4 = 6.500, rk2 =25.000, rk3 =25.000, &end # distance constraint number 2 &rst iat = 2, 3, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.000, r2 = 2.000, r3 = 4.500, r4 = 6.500, rk2 =25.000, rk3 =25.000, &end # distance constraint number 3 &rst iat = 3, 19, iresid = 1, atnam(1)='H1''',atnam(2)='H2', r1 = 2.000, r2 = 4.000, r3 = 7.000, r4 = 9.000, rk2 =25.000, rk3 =25.000, &end # distance constraint number 4 &rst iat = 20, 19, iresid = 1, atnam(1)='H1''',atnam(2)='H2', r1 = 2.000, r2 = 4.000, r3 = 7.000, r4 = 9.000, rk2 =25.000, rk3 =25.000, &end # distance constraint number 5 &rst iat = 3, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.000, r2 = 2.000, r3 = 4.500, r4 = 6.500, rk2 =25.000, rk3 =25.000, &end # distance constraint number 6 &rst iat = 3, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.000, r2 = 2.000, r3 = 4.500, r4 = 6.500, rk2 =25.000, rk3 =25.000, &end # distance constraint number 7 &rst iat = 2, 3, iresid = 1, atnam(1)='H2''2',atnam(2)='H5', r1 = 0.000, r2 = 2.000, r3 = 4.500, r4 = 6.500, rk2 =25.000, rk3 =25.000, &end # distance constraint number 8 &rst iat = 6, 5, iresid = 1, atnam(1)='H6',atnam(2)='H3''', r1 = 2.000, r2 = 4.000, r3 = 7.000, r4 = 9.000, rk2 =25.000, rk3 =25.000, &end # distance constraint number 9 &rst iat = 6, 5, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 2.000, r2 = 4.000, r3 = 7.000, r4 = 9.000, rk2 =25.000, rk3 =25.000, &end # distance constraint number 10 &rst iat = 5, 6, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 2.000, r2 = 4.000, r3 = 7.000, r4 = 9.000, rk2 =25.000, rk3 =25.000, &end # distance constraint number 11 &rst iat = 5, 6, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 2.000, r2 = 4.000, r3 = 7.000, r4 = 9.000, rk2 =25.000, rk3 =25.000, &end # distance constraint number 12 &rst iat = 5, 6, iresid = 1, atnam(1)='H2',atnam(2)='H5', r1 = 2.000, r2 = 4.000, r3 = 7.000, r4 = 9.000, rk2 =25.000, rk3 =25.000, &end # distance constraint number 13 &rst iat = 5, 6, iresid = 1, atnam(1)='H8',atnam(2)='H5', r1 = 2.000, r2 = 4.000, r3 = 7.000, r4 = 9.000, rk2 =25.000, rk3 =25.000, &end # distance constraint number 14 &rst iat = 7, 8, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 2.000, r2 = 4.000, r3 = 7.000, r4 = 9.000, rk2 =25.000, rk3 =25.000, &end # distance constraint number 15 &rst iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H6', r1 = 2.000, r2 = 4.000, r3 = 7.000, r4 = 9.000, rk2 =25.000, rk3 =25.000, &end # distance constraint number 16 &rst iat = 14, 13, iresid = 1, atnam(1)='H6',atnam(2)='H3''', r1 = 2.000, r2 = 4.000, r3 = 7.000, r4 = 9.000, rk2 =25.000, rk3 =25.000, &end # distance constraint number 17 &rst iat = 16, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.000, r2 = 2.000, r3 = 4.500, r4 = 6.500, rk2 =25.000, rk3 =25.000, &end # distance constraint number 18 &rst iat = 17, 18, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.000, r2 = 2.000, r3 = 4.500, r4 = 6.500, rk2 =25.000, rk3 =25.000, &end # distance constraint number 19 &rst iat = 17, 18, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.000, r2 = 2.000, r3 = 4.500, r4 = 6.500, rk2 =25.000, rk3 =25.000, &end # distance constraint number 20 &rst iat = 17, 18, iresid = 1, atnam(1)='H1''',atnam(2)='H8', r1 = 0.000, r2 = 2.000, r3 = 4.500, r4 = 6.500, rk2 =25.000, rk3 =25.000, &end # distance constraint number 21 &rst iat = 406, -1 , igr2 = 393, 394, 395, r1 = 2.000, r2 = 4.000, r3 = 7.000, r4 = 9.000, rk2 =25.000, rk3 =25.000, &end # distance constraint number 22 &rst iat = 8, 7, iresid = 1, atnam(1)='H5''2',atnam(2)='H1''', r1 = 2.000, r2 = 4.000, r3 = 7.000, r4 = 9.000, rk2 =25.000, rk3 =25.000, &end # distance constraint number 23 &rst iat = 17, 16, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.000, r2 = 2.000, r3 = 4.500, r4 = 6.500, rk2 =25.000, rk3 =25.000, &end
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