NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
607654 |
2n5p   |
25724 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#UB Control sequence
# 5?-ATGGAGCTC-3?
# 3?-TACCTCGAG-5?
# MARDIGRAS NOESY Distance Restraints
# distance constraint number 1
&rst iat = 1, 1, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
r1 = 0.880, r2 = 2.880, r3 = 3.790, r4 = 5.790,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 2
&rst iat = 1, 1, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.280, r2 = 2.280, r3 = 2.600, r4 = 4.600,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 3
&rst iat = 3, 2, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
r1 = 1.120, r2 = 3.120, r3 = 4.320, r4 = 6.320,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 4
&rst iat = 3, 2, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
r1 = 0.840, r2 = 2.840, r3 = 3.180, r4 = 5.180,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 5
&rst iat = 3, 3, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 1.100, r2 = 3.100, r3 = 3.880, r4 = 5.880,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 6
&rst iat = 3, 3, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
r1 = 1.380, r2 = 3.380, r3 = 4.440, r4 = 6.440,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 7
&rst iat = 4, 4, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 1.060, r2 = 3.060, r3 = 3.920, r4 = 5.920,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 8
&rst iat = 5, 4, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
r1 = 0.980, r2 = 2.980, r3 = 3.270, r4 = 5.270,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 9
&rst iat = 5, 4, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
r1 = 1.430, r2 = 3.430, r3 = 4.680, r4 = 6.680,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 10
&rst iat = 5, 5, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
r1 = 2.010, r2 = 4.010, r3 = 5.360, r4 = 7.360,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 11
&rst iat = 5, 5, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
r1 = 1.670, r2 = 3.670, r3 = 5.210, r4 = 7.210,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 12
&rst iat = 6, 5, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
r1 = 1.620, r2 = 3.620, r3 = 4.540, r4 = 6.540,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 13
&rst iat = 6, 5, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
r1 = 0.490, r2 = 2.490, r3 = 2.630, r4 = 4.630,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 14
&rst iat = 6, 6, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
r1 = 1.220, r2 = 3.220, r3 = 3.970, r4 = 5.970,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 15
&rst iat = 6, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 1.330, r2 = 3.330, r3 = 4.350, r4 = 6.350,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 16
&rst iat = 6, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
r1 = 1.490, r2 = 3.490, r3 = 4.600, r4 = 6.600,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 17
&rst iat = 7, 6, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
r1 = 0.940, r2 = 2.940, r3 = 3.390, r4 = 5.390,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 18
&rst iat = 7, 6, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
r1 = 1.800, r2 = 3.800, r3 = 4.800, r4 = 6.800,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 19
&rst iat = 7, 6, iresid = 1, atnam(1)='H5',atnam(2)='H1''',
r1 = 1.650, r2 = 3.650, r3 = 5.210, r4 = 7.210,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 20
&rst iat = 7, 6, iresid = 1, atnam(1)='H5',atnam(2)='H8',
r1 = 1.340, r2 = 3.340, r3 = 3.940, r4 = 5.940,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 21
&rst iat = 7, 6, iresid = 1, atnam(1)='H5',atnam(2)='H3''',
r1 = 1.880, r2 = 3.880, r3 = 4.910, r4 = 6.910,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 22
&rst iat = 8, 8, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
r1 = 1.090, r2 = 3.090, r3 = 3.740, r4 = 5.740,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 23
&rst iat = -1 , 208,ir6=1,
igr1 = 241, 242, 243,
r1 = 1.390, r2 = 3.390, r3 = 3.610, r4 = 5.610,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 24
&rst iat = -1 , 210,
igr1 = 241, 242, 243,
r1 = 1.760, r2 = 3.760, r3 = 4.180, r4 = 6.180,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 25
&rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.010, r2 = 2.010, r3 = 2.290, r4 = 4.290,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 26
&rst iat = 9, 8, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
r1 = 1.490, r2 = 3.490, r3 = 4.820, r4 = 6.820,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 27
&rst iat = 9, 8, iresid = 1, atnam(1)='H5',atnam(2)='H6',
r1 = 1.270, r2 = 3.270, r3 = 4.040, r4 = 6.040,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 28
&rst iat = 272, -1 ,
igr2 = 241, 242, 243,
r1 = 2.060, r2 = 4.060, r3 = 4.930, r4 = 6.930,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 29
&rst iat = 9, 9, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
r1 = 0.190, r2 = 2.190, r3 = 2.500, r4 = 4.500,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 30
&rst iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
r1 = 0.360, r2 = 2.360, r3 = 2.560, r4 = 4.560,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 31
&rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
r1 = 1.130, r2 = 3.130, r3 = 4.420, r4 = 6.420,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 32
&rst iat = 11, 10, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
r1 = 1.750, r2 = 3.750, r3 = 5.000, r4 = 7.000,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 33
&rst iat = 11, 11, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
r1 = 1.310, r2 = 3.310, r3 = 4.270, r4 = 6.270,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 34
&rst iat = 11, 11, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
r1 = 0.740, r2 = 2.740, r3 = 3.190, r4 = 5.190,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 35
&rst iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
r1 = 1.670, r2 = 3.670, r3 = 4.740, r4 = 6.740,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 36
&rst iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
r1 = 1.040, r2 = 3.040, r3 = 4.150, r4 = 6.150,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 37
&rst iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
r1 = 0.520, r2 = 2.520, r3 = 2.730, r4 = 4.730,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 38
&rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 1.100, r2 = 3.100, r3 = 3.940, r4 = 5.940,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 39
&rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
r1 = 1.570, r2 = 3.570, r3 = 4.850, r4 = 6.850,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 40
&rst iat = 13, 12, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
r1 = 0.880, r2 = 2.880, r3 = 3.140, r4 = 5.140,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 41
&rst iat = 13, 12, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
r1 = 1.820, r2 = 3.820, r3 = 5.280, r4 = 7.280,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 42
&rst iat = 13, 12, iresid = 1, atnam(1)='H5',atnam(2)='H1''',
r1 = 2.240, r2 = 4.240, r3 = 5.110, r4 = 7.110,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 43
&rst iat = 13, 12, iresid = 1, atnam(1)='H5',atnam(2)='H8',
r1 = 1.380, r2 = 3.380, r3 = 4.080, r4 = 6.080,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 44
&rst iat = -1 , 397,
igr1 = 430, 431, 432,
r1 = 1.470, r2 = 3.470, r3 = 3.750, r4 = 5.750,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 45
&rst iat = -1 , 399,
igr1 = 430, 431, 432,
r1 = 1.740, r2 = 3.740, r3 = 4.140, r4 = 6.140,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 46
&rst iat = 442, -1 ,
igr2 = 430, 431, 432,
r1 = 2.250, r2 = 4.250, r3 = 5.180, r4 = 7.180,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 47
&rst iat = 461, -1 ,
igr2 = 430, 431, 432,
r1 = 2.040, r2 = 4.040, r3 = 4.980, r4 = 6.980,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 48
&rst iat = 15, 14, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
r1 = 0.890, r2 = 2.890, r3 = 3.390, r4 = 5.390,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 49
&rst iat = 16, 16, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
r1 = 0.080, r2 = 2.080, r3 = 2.220, r4 = 4.220,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 50
&rst iat = 16, 16, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
r1 = 1.210, r2 = 3.210, r3 = 4.130, r4 = 6.130,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 51
&rst iat = 17, 16, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
r1 = 1.090, r2 = 3.090, r3 = 3.920, r4 = 5.920,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 52
&rst iat = 17, 16, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
r1 = 1.000, r2 = 3.000, r3 = 3.510, r4 = 5.510,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 53
&rst iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
r1 = 0.900, r2 = 2.900, r3 = 3.340, r4 = 5.340,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 54
&rst iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 1.330, r2 = 3.330, r3 = 4.170, r4 = 6.170,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 55
&rst iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
r1 = 1.340, r2 = 3.340, r3 = 4.400, r4 = 6.400,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 56
&rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
r1 = 0.680, r2 = 2.680, r3 = 3.320, r4 = 5.320,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 57
&rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
r1 = 0.100, r2 = 2.100, r3 = 2.270, r4 = 4.270,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 58
&rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.040, r2 = 2.040, r3 = 2.380, r4 = 4.380,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 59
&rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
r1 = 1.070, r2 = 3.070, r3 = 4.630, r4 = 6.630,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 60
&rst iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
r1 = 1.200, r2 = 3.200, r3 = 4.180, r4 = 6.180,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 61
&rst iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
r1 = 1.610, r2 = 3.610, r3 = 5.000, r4 = 7.000,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 62
&rst iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
r1 = 1.100, r2 = 3.100, r3 = 3.940, r4 = 5.940,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 63
&rst iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
r1 = 0.460, r2 = 2.460, r3 = 2.660, r4 = 4.660,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 64
&rst iat = -1 , 516,
igr1 = 554, 555, 556,
r1 = 2.520, r2 = 4.520, r3 = 5.850, r4 = 7.850,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 65
&rst iat = -1 , 519,
igr1 = 554, 555, 556,
r1 = 1.580, r2 = 3.580, r3 = 3.830, r4 = 5.830,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 66
&rst iat = -1 , 532,
igr1 = 554, 555, 556,
r1 = 2.350, r2 = 4.350, r3 = 5.460, r4 = 7.460,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 67
&rst iat = -1 , 534,
igr1 = 554, 555, 556,
r1 = 1.580, r2 = 3.580, r3 = 4.760, r4 = 6.760,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 68
&rst iat = -1 , 535,
igr1 = 554, 555, 556,
r1 = 1.580, r2 = 3.580, r3 = 4.550, r4 = 6.550,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 69
&rst iat = 1, 1, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
r1 = 1.120, r2 = 3.120, r3 = 3.550, r4 = 5.550,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 70
&rst iat = 2, 2, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
r1 = 0.780, r2 = 2.780, r3 = 4.170, r4 = 6.170,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 71
&rst iat = 2, 2, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
r1 = 0.080, r2 = 2.080, r3 = 2.410, r4 = 4.410,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 72
&rst iat = 3, 3, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
r1 = 0.770, r2 = 2.770, r3 = 3.080, r4 = 5.080,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 73
&rst iat = 3, 3, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
r1 = 1.610, r2 = 3.610, r3 = 5.110, r4 = 7.110,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 74
&rst iat = 4, 4, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
r1 = 0.700, r2 = 2.700, r3 = 2.990, r4 = 4.990,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 75
&rst iat = 4, 5, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
r1 = 1.960, r2 = 3.960, r3 = 4.720, r4 = 6.720,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 76
&rst iat = 4, 3, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
r1 = 1.910, r2 = 3.910, r3 = 5.260, r4 = 7.260,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 77
&rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
r1 = 1.450, r2 = 3.450, r3 = 4.480, r4 = 6.480,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 78
&rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
r1 = 1.690, r2 = 3.690, r3 = 4.690, r4 = 6.690,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 79
&rst iat = 4, 5, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
r1 = 0.530, r2 = 2.530, r3 = 2.730, r4 = 4.730,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 80
&rst iat = 5, 5, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
r1 = 1.180, r2 = 3.180, r3 = 3.940, r4 = 5.940,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 81
&rst iat = 5, 6, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
r1 = 1.280, r2 = 3.280, r3 = 3.950, r4 = 5.950,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 82
&rst iat = 6, 6, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
r1 = 0.610, r2 = 2.610, r3 = 2.900, r4 = 4.900,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 83
&rst iat = 6, 6, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
r1 = 1.770, r2 = 3.770, r3 = 5.120, r4 = 7.120,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 84
&rst iat = 6, 7, iresid = 1, atnam(1)='H4''',atnam(2)='H6',
r1 = 1.890, r2 = 3.890, r3 = 5.290, r4 = 7.290,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 85
&rst iat = 8, 8, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
r1 = 0.590, r2 = 2.590, r3 = 2.890, r4 = 4.890,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 86
&rst iat = 7, 8, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
r1 = 1.650, r2 = 3.650, r3 = 5.120, r4 = 7.120,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 87
&rst iat = 205, -1 ,
igr2 = 241, 242, 243,
r1 = 2.500, r2 = 4.500, r3 = 6.210, r4 = 8.210,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 88
&rst iat = 7, 8, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
r1 = 1.500, r2 = 3.500, r3 = 5.030, r4 = 7.030,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 89
&rst iat = 219, -1 ,
igr2 = 241, 242, 243,
r1 = 1.410, r2 = 3.410, r3 = 3.660, r4 = 5.660,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 90
&rst iat = 221, -1 ,
igr2 = 241, 242, 243,
r1 = 1.240, r2 = 3.240, r3 = 3.650, r4 = 5.650,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 91
&rst iat = 222, -1 ,
igr2 = 241, 242, 243,
r1 = 1.940, r2 = 3.940, r3 = 5.230, r4 = 7.230,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 92
&rst iat = 253, -1 ,
igr2 = 241, 242, 243,
r1 = 1.740, r2 = 3.740, r3 = 4.640, r4 = 6.640,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 93
&rst iat = 8, 9, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
r1 = 0.830, r2 = 2.830, r3 = 3.260, r4 = 5.260,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 94
&rst iat = 8, 9, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
r1 = 1.160, r2 = 3.160, r3 = 3.710, r4 = 5.710,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 95
&rst iat = 9, 9, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
r1 = 1.330, r2 = 3.330, r3 = 4.080, r4 = 6.080,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 96
&rst iat = 10, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
r1 = 1.240, r2 = 3.240, r3 = 3.970, r4 = 5.970,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 97
&rst iat = 10, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
r1 = 1.170, r2 = 3.170, r3 = 3.610, r4 = 5.610,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 98
&rst iat = 11, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
r1 = 1.170, r2 = 3.170, r3 = 3.990, r4 = 5.990,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 99
&rst iat = 11, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
r1 = 0.560, r2 = 2.560, r3 = 3.300, r4 = 5.300,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 100
&rst iat = 12, 12, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
r1 = 0.590, r2 = 2.590, r3 = 2.840, r4 = 4.840,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 101
&rst iat = 12, 12, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
r1 = 1.650, r2 = 3.650, r3 = 5.040, r4 = 7.040,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 102
&rst iat = 12, 13, iresid = 1, atnam(1)='H4''',atnam(2)='H6',
r1 = 2.340, r2 = 4.340, r3 = 5.670, r4 = 7.670,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 103
&rst iat = 13, 14, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
r1 = 1.300, r2 = 3.300, r3 = 4.300, r4 = 6.300,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 104
&rst iat = 408, -1 ,
igr2 = 430, 431, 432,
r1 = 1.330, r2 = 3.330, r3 = 3.620, r4 = 5.620,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 105
&rst iat = 14, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
r1 = 1.140, r2 = 3.140, r3 = 3.670, r4 = 5.670,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 106
&rst iat = 14, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
r1 = 0.870, r2 = 2.870, r3 = 3.530, r4 = 5.530,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 107
&rst iat = 14, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
r1 = 1.130, r2 = 3.130, r3 = 3.540, r4 = 5.540,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 108
&rst iat = 410, -1 ,
igr2 = 430, 431, 432,
r1 = 1.100, r2 = 3.100, r3 = 3.510, r4 = 5.510,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 109
&rst iat = 411, -1 ,
igr2 = 430, 431, 432,
r1 = 1.810, r2 = 3.810, r3 = 4.890, r4 = 6.890,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 110
&rst iat = 15, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
r1 = 1.200, r2 = 3.200, r3 = 3.840, r4 = 5.840,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 111
&rst iat = 15, 16, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
r1 = 0.650, r2 = 2.650, r3 = 2.840, r4 = 4.840,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 112
&rst iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.160, r2 = 2.160, r3 = 2.480, r4 = 4.480,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 113
&rst iat = 16, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
r1 = 1.340, r2 = 3.340, r3 = 4.030, r4 = 6.030,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 114
&rst iat = 16, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
r1 = 0.960, r2 = 2.960, r3 = 4.510, r4 = 6.510,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 115
&rst iat = 16, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
r1 = 0.280, r2 = 2.280, r3 = 2.560, r4 = 4.560,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 116
&rst iat = 16, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
r1 = 1.240, r2 = 3.240, r3 = 4.180, r4 = 6.180,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 117
&rst iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
r1 = 0.830, r2 = 2.830, r3 = 3.220, r4 = 5.220,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 118
&rst iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
r1 = 1.890, r2 = 3.890, r3 = 4.860, r4 = 6.860,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 119
&rst iat = 17, 18, iresid = 1, atnam(1)='H4''',atnam(2)='H6',
r1 = 1.840, r2 = 3.840, r3 = 5.140, r4 = 7.140,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 120
&rst iat = 18, 18, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
r1 = 1.190, r2 = 3.190, r3 = 3.720, r4 = 5.720,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 121
&rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
r1 = 0.000, r2 = 1.930, r3 = 2.320, r4 = 4.320,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 122
&rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
r1 = 0.660, r2 = 2.660, r3 = 3.580, r4 = 5.580,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 123
&rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
r1 = 0.990, r2 = 2.990, r3 = 3.460, r4 = 5.460,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 124
&rst iat = 3, 3, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
r1 = 0.150, r2 = 2.150, r3 = 2.280, r4 = 4.280,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 125
&rst iat = 3, 3, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
r1 = 0.800, r2 = 2.800, r3 = 4.050, r4 = 6.050,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 126
&rst iat = 5, 5, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
r1 = 0.620, r2 = 2.620, r3 = 3.420, r4 = 5.420,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 127
&rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
r1 = 0.380, r2 = 2.380, r3 = 3.410, r4 = 5.410,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 128
&rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
r1 = 0.170, r2 = 2.170, r3 = 2.320, r4 = 4.320,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 129
&rst iat = 6, 6, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.140, r2 = 2.140, r3 = 2.530, r4 = 4.530,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 130
&rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
r1 = 0.230, r2 = 2.230, r3 = 3.590, r4 = 5.590,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 131
&rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.140, r2 = 2.140, r3 = 2.400, r4 = 4.400,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 132
&rst iat = 14, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H5',
r1 = 0.820, r2 = 2.820, r3 = 3.250, r4 = 5.250,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 133
&rst iat = 14, 14, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
r1 = 0.050, r2 = 2.050, r3 = 2.330, r4 = 4.330,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 134
&rst iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
r1 = 0.690, r2 = 2.690, r3 = 4.060, r4 = 6.060,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 135
&rst iat = 5, 5, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
r1 = 1.560, r2 = 3.560, r3 = 5.120, r4 = 7.120,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 136
&rst iat = 11, 11, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
r1 = 1.710, r2 = 3.710, r3 = 4.780, r4 = 6.780,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 137
&rst iat = 9, 9, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 1.700, r2 = 3.700, r3 = 4.890, r4 = 6.890,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 138
&rst iat = 16, 16, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
r1 = 1.420, r2 = 3.420, r3 = 4.470, r4 = 6.470,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 139
&rst iat = 16, 15, iresid = 1, atnam(1)='H5',atnam(2)='H2''2',
r1 = 0.690, r2 = 2.690, r3 = 4.520, r4 = 6.520,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 140
&rst iat = 16, 15, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
r1 = 0.580, r2 = 2.580, r3 = 3.040, r4 = 5.040,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 141
&rst iat = 18, 18, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
r1 = 1.770, r2 = 3.770, r3 = 4.910, r4 = 6.910,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 142
&rst iat = 1, 1, iresid = 1, atnam(1)='H3''',atnam(2)='H2''2',
r1 = 0.750, r2 = 2.750, r3 = 3.190, r4 = 5.190,
rk2 =30.000, rk3 =30.000, &end
# distance constraint number 143
&rst iat = 394, -1 ,
igr2 = 430, 431, 432,
r1 = 2.830, r2 = 4.830, r3 = 6.080, r4 = 8.080,
rk2 =30.000, rk3 =30.000, &end
Contact the webmaster for help, if required. Monday, May 13, 2024 1:44:00 AM GMT (wattos1)