NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
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|
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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