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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11894 |
1s75   |
cing | 1-original | 3 | AMBER | distance | NOE | simple |
# bad RANDMARDI distance restraints and new 5' region restraints (33)
# distance constraint number 1
&rst iat = 5, 4, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
r1 = 1.810, r2 = 3.810, r3 = 6.170, r4 = 8.170,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 2
&rst iat = 61, -1 ,
igr2 = 49, 50, 51,
r1 = 2.130, r2 = 4.130, r3 = 6.150, r4 = 8.150,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 3
&rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
r1 = 1.840, r2 = 3.840, r3 = 5.760, r4 = 7.760,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 4
&rst iat = 9, 9, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
r1 = 1.660, r2 = 3.660, r3 = 5.730, r4 = 7.730,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 5
&rst iat = 11, 11, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
r1 = 1.740, r2 = 3.740, r3 = 5.530, r4 = 7.530,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 6
&rst iat = 1, 1, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
r1 = 1.650, r2 = 3.650, r3 = 6.350, r4 = 8.350,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 7
&rst iat = 2, 2, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
r1 = 0.440, r2 = 2.440, r3 = 4.830, r4 = 6.830,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 8
&rst iat = 62, -1 ,
igr2 = 49, 50, 51,
r1 = 2.770, r2 = 4.770, r3 = 6.900, r4 = 8.900,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 9
&rst iat = 6, 6, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
r1 = 1.140, r2 = 3.140, r3 = 5.140, r4 = 7.140,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 10
&rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
r1 = 1.000, r2 = 3.000, r3 = 4.970, r4 = 6.970,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 11
&rst iat = 14, 14, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
r1 = 0.720, r2 = 2.720, r3 = 4.880, r4 = 6.880,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 12
&rst iat = 16, 16, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
r1 = 0.730, r2 = 2.730, r3 = 5.640, r4 = 7.640,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 13
&rst iat = 501, -1 ,
igr2 = 488, 489, 490,
r1 = 2.550, r2 = 4.550, r3 = 6.860, r4 = 8.860,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 14
&rst iat = 20, 20, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
r1 = 0.900, r2 = 2.900, r3 = 5.380, r4 = 7.380,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 15
&rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
r1 = 1.470, r2 = 3.470, r3 = 5.380, r4 = 7.380,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 16
&rst iat = 6, 5, iresid = 1, atnam(1)='H5',atnam(2)='H1''',
r1 = 1.790, r2 = 3.790, r3 = 6.010, r4 = 8.010,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 17
&rst iat = 2, 1, iresid = 1, atnam(1)='H6',atnam(2)='H8',
r1 = 2.500, r2 = 4.500, r3 = 6.710, r4 = 8.710,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 18
&rst iat = 3, 2, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
r1 = 1.360, r2 = 3.360, r3 = 5.820, r4 = 7.820,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 19
&rst iat = 6, 5, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
r1 = 2.690, r2 = 4.690, r3 = 6.550, r4 = 8.550,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 20
&rst iat = 6, 5, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
r1 = 1.660, r2 = 3.660, r3 = 6.750, r4 = 8.750,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 21
&rst iat = 13, 12, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
r1 = 2.220, r2 = 4.220, r3 = 6.900, r4 = 8.900,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 22
&rst iat = 27, -1 ,
igr2 = 49, 50, 51,
r1 = 3.010, r2 = 5.010, r3 = 7.280, r4 = 9.280,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 23
&rst iat = 6, 5, iresid = 1, atnam(1)='H5''1',atnam(2)='H8',
r1 = 0.610, r2 = 2.610, r3 = 2.870, r4 = 4.870,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 24
&rst iat = 6, 5, iresid = 1, atnam(1)='H5''2',atnam(2)='H8',
r1 = 1.180, r2 = 3.180, r3 = 4.960, r4 = 6.960,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 25
&rst iat = 6, 5, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
r1 = 1.190, r2 = 3.190, r3 = 3.600, r4 = 5.600,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 26
&rst iat = 6, 6, iresid = 1, atnam(1)='H6',atnam(2)='H5''1',
r1 = 1.160, r2 = 3.160, r3 = 3.850, r4 = 5.850,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 27
&rst iat = 6, 6, iresid = 1, atnam(1)='H6',atnam(2)='H5''2',
r1 = 1.090, r2 = 3.090, r3 = 3.750, r4 = 5.750,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 28
&rst iat = 7, 6, iresid = 1, atnam(1)='H5''1',atnam(2)='H1''',
r1 = 1.050, r2 = 3.050, r3 = 3.630, r4 = 5.630,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 29
&rst iat = 7, 6, iresid = 1, atnam(1)='H5''1',atnam(2)='H2''2',
r1 = 0.750, r2 = 2.750, r3 = 4.070, r4 = 6.070,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 30
&rst iat = 7, 7, iresid = 1, atnam(1)='H5''1',atnam(2)='H8',
r1 = 1.850, r2 = 3.850, r3 = 5.380, r4 = 7.380,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 31
&rst iat = 8, 7, iresid = 1, atnam(1)='H5''1',atnam(2)='H1''',
r1 = 0.860, r2 = 2.860, r3 = 3.540, r4 = 5.540,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 32
&rst iat = 8, 8, iresid = 1, atnam(1)='H5''1',atnam(2)='H8',
r1 = 1.610, r2 = 3.610, r3 = 4.660, r4 = 6.660,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 33
&rst iat = 8, 8, iresid = 1, atnam(1)='H5''2',atnam(2)='H8',
r1 = 1.480, r2 = 3.480, r3 = 5.010, r4 = 7.010,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 34
&rst iat = 12, 11, iresid = 1, atnam(1)='H5''1',atnam(2)='H1''',
r1 = 1.010, r2 = 3.010, r3 = 3.690, r4 = 5.690,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 35
&rst iat = 5, 5, iresid = 1, atnam(1)='H5''1',atnam(2)='H1''',
r1 = 1.260, r2 = 3.260, r3 = 4.440, r4 = 6.440,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 36
&rst iat = 5, 5, iresid = 1, atnam(1)='H5''2',atnam(2)='H1''',
r1 = 1.250, r2 = 3.250, r3 = 4.320, r4 = 6.320,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 37
&rst iat = 19, 19, iresid = 1, atnam(1)='H5''1',atnam(2)='H8',
r1 = 1.490, r2 = 3.490, r3 = 5.040, r4 = 7.040,
rk2 =25.000, rk3 =25.000, &end
# distance constraint number 38
&rst iat = 19, 19, iresid = 1, atnam(1)='H5''2',atnam(2)='H8',
r1 = 1.500, r2 = 3.500, r3 = 4.860, r4 = 6.860,
rk2 =25.000, rk3 =25.000, &end
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