NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
13399 | 1uqa | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# sequence: d(CATATG)2 # distance constraint number 1 &rst iat = 2, 2, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.013, r2 = 2.913, r3 = 3.044, r4 = 5.044, rk2 =10.000, rk3 =10.000, &end # distance constraint number 2 # distance constraint number 3 &rst iat = 2, 2, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.094, r2 = 3.694, r3 = 3.889, r4 = 5.889, rk2 =2.000, rk3 =2.000, &end # distance constraint number 4 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.002, r2 = 2.502, r3 = 2.602, r4 = 4.602, rk2 =10.000, rk3 =10.000, &end # distance constraint number 5 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.095, r2 = 2.495, r3 = 2.608, r4 = 4.608, rk2 =10.000, rk3 =10.000, &end # distance constraint number 6 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.085, r2 = 3.385, r3 = 3.662, r4 = 5.662, rk2 =10.000, rk3 =10.000, &end # distance constraint number 7 &rst iat = 4, 4, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.017, r2 = 3.017, r3 = 3.133, r4 = 5.133, rk2 =10.000, rk3 =10.000, &end # distance constraint number 8 &rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 0.048, r2 = 4.048, r3 = 4.289, r4 = 6.289, rk2 =5.000, rk3 =5.000, &end # distance constraint number 9 &rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.050, r2 = 3.650, r3 = 3.850, r4 = 5.850, rk2 =10.000, rk3 =10.000, &end # distance constraint number 10 &rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 0.043, r2 = 3.243, r3 = 3.342, r4 = 5.342, rk2 =10.000, rk3 =10.000, &end # distance constraint number 11 &rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.075, r2 = 3.775, r3 = 3.875, r4 = 5.875, rk2 =10.000, rk3 =10.000, &end # distance constraint number 12 &rst iat = 4, 4, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.098, r2 = 4.098, r3 = 4.555, r4 = 6.555, rk2 =7.000, rk3 =7.000, &end # distance constraint number 13 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.076, r2 = 2.576, r3 = 2.684, r4 = 4.684, rk2 =10.000, rk3 =10.000, &end # distance constraint number 14 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.068, r2 = 2.268, r3 = 2.386, r4 = 4.386, rk2 =10.000, rk3 =10.000, &end # distance constraint number 15 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.065, r2 = 2.065, r3 = 2.265, r4 = 4.265, rk2 =10.000, rk3 =10.000, &end # distance constraint number 16 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.035, r2 = 2.335, r3 = 2.435, r4 = 4.435, rk2 =10.000, rk3 =10.000, &end # distance constraint number 17 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.044, r2 = 3.444, r3 = 3.759, r4 = 5.759, rk2 =10.000, rk3 =10.000, &end # distance constraint number 18 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.042, r2 = 2.642, r3 = 2.742, r4 = 4.742, rk2 =10.000, rk3 =10.000, &end # distance constraint number 19 # distance constraint number 20 &rst iat = 6, 4, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.048, r2 = 3.348, r3 = 3.668, r4 = 5.668, rk2 =10.000, rk3 =10.000, &end # distance constraint number 21 &rst iat = 6, 4, iresid = 1, atnam(1)='H6',atnam(2)='H2''1', r1 = 0.055, r2 = 2.855, r3 = 2.995, r4 = 4.995, rk2 =10.000, rk3 =10.000, &end # distance constraint number 22 &rst iat = 6, 4, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 0.046, r2 = 2.546, r3 = 2.654, r4 = 4.654, rk2 =10.000, rk3 =10.000, &end # distance constraint number 23 &rst iat = 6, 6, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.089, r2 = 3.389, r3 = 3.704, r4 = 5.704, rk2 =10.000, rk3 =10.000, &end # distance constraint number 24 # distance constraint number 25 # distance constraint number 26 # distance constraint number 27 &rst iat = 6, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.065, r2 = 2.665, r3 = 2.865, r4 = 4.865, rk2 =10.000, rk3 =10.000, &end # distance constraint number 28 &rst iat = 6, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.066, r2 = 3.366, r3 = 3.534, r4 = 5.534, rk2 =10.000, rk3 =10.000, &end # distance constraint number 29 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.088, r2 = 2.088, r3 = 2.188, r4 = 4.188, rk2 =10.000, rk3 =10.000, &end # distance constraint number 30 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.090, r2 = 2.290, r3 = 2.390, r4 = 4.390, rk2 =10.000, rk3 =10.000, &end # distance constraint number 31 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.013, r2 = 3.513, r3 = 3.730, r4 = 5.730, rk2 =10.000, rk3 =10.000, &end # distance constraint number 32 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.068, r2 = 2.868, r3 = 2.969, r4 = 4.969, rk2 =10.000, rk3 =10.000, &end # distance constraint number 33 &rst iat = 8, 8, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.095, r2 = 2.895, r3 = 3.095, r4 = 5.095, rk2 =10.000, rk3 =10.000, &end # distance constraint number 34 &rst iat = 8, 6, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.011, r2 = 3.611, r3 = 3.836, r4 = 5.836, rk2 =10.000, rk3 =10.000, &end # distance constraint number 35 &rst iat = 8, 6, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 0.081, r2 = 3.981, r3 = 4.139, r4 = 6.139, rk2 =5.000, rk3 =5.000, &end # distance constraint number 36 &rst iat = 8, 6, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.099, r2 = 3.499, r3 = 3.976, r4 = 5.976, rk2 =10.000, rk3 =10.000, &end # distance constraint number 37 &rst iat = 8, 6, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 0.015, r2 = 2.615, r3 = 3.491, r4 = 5.491, rk2 =10.000, rk3 =10.000, &end # distance constraint number 38 &rst iat = 8, 8, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.003, r2 = 3.503, r3 = 3.920, r4 = 5.920, rk2 =10.000, rk3 =10.000, &end # distance constraint number 39 &rst iat = 8, 8, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.023, r2 = 3.523, r3 = 4.843, r4 = 6.843, rk2 =7.000, rk3 =7.000, &end # distance constraint number 40 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.080, r2 = 2.580, r3 = 2.745, r4 = 4.745, rk2 =10.000, rk3 =10.000, &end # distance constraint number 41 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.036, r2 = 2.236, r3 = 2.344, r4 = 4.344, rk2 =10.000, rk3 =10.000, &end # distance constraint number 42 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.060, r2 = 2.260, r3 = 2.360, r4 = 4.360, rk2 =10.000, rk3 =10.000, &end # distance constraint number 43 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.057, r2 = 2.257, r3 = 2.357, r4 = 4.357, rk2 =10.000, rk3 =10.000, &end # distance constraint number 44 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.036, r2 = 3.536, r3 = 3.774, r4 = 5.774, rk2 =10.000, rk3 =10.000, &end # distance constraint number 45 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.096, r2 = 2.496, r3 = 2.841, r4 = 4.841, rk2 =10.000, rk3 =10.000, &end # distance constraint number 46 # distance constraint number 47 # distance constraint number 48 &rst iat = 10, 8, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.057, r2 = 3.757, r3 = 3.949, r4 = 5.949, rk2 =7.000, rk3 =7.000, &end # distance constraint number 49 &rst iat = 10, 8, iresid = 1, atnam(1)='H6',atnam(2)='H2''1', r1 = 0.050, r2 = 2.850, r3 = 2.977, r4 = 4.977, rk2 =10.000, rk3 =10.000, &end # distance constraint number 50 &rst iat = 10, 8, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 0.020, r2 = 2.520, r3 = 2.620, r4 = 4.620, rk2 =10.000, rk3 =10.000, &end # distance constraint number 51 &rst iat = 10, 10, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.018, r2 = 3.518, r3 = 3.692, r4 = 5.692, rk2 =10.000, rk3 =10.000, &end # distance constraint number 52 &rst iat = 10, 10, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.078, r2 = 3.678, r3 = 3.948, r4 = 5.948, rk2 =7.000, rk3 =7.000, &end # distance constraint number 53 &rst iat = 141 , 107, r1 = 0.009, r2 = 3.709, r3 = 4.321, r4 = 6.321, rk2 =10.000, rk3 =10.000, &end # distance constraint number 54 &rst iat = 141 , 122, r1 = 0.023, r2 = 3.623, r3 = 4.250, r4 = 6.250, rk2 =10.000, rk3 =10.000, &end # distance constraint number 55 &rst iat = 141 , 123, r1 = 0.040, r2 = 3.940, r3 = 4.627, r4 = 6.627, rk2 =10.000, rk3 =10.000, &end # distance constraint number 56 &rst iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.095, r2 = 2.195, r3 = 2.395, r4 = 4.395, rk2 =10.000, rk3 =10.000, &end # distance constraint number 57 &rst iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.077, r2 = 3.277, r3 = 3.493, r4 = 5.493, rk2 =10.000, rk3 =10.000, &end # distance constraint number 58 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.016, r2 = 2.916, r3 = 3.067, r4 = 5.067, rk2 =10.000, rk3 =10.000, &end # distance constraint number 59 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.033, r2 = 2.033, r3 = 2.133, r4 = 4.133, rk2 =10.000, rk3 =10.000, &end # distance constraint number 60 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.092, r2 = 2.192, r3 = 2.292, r4 = 4.292, rk2 =10.000, rk3 =10.000, &end # distance constraint number 61 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.085, r2 = 2.285, r3 = 2.385, r4 = 4.385, rk2 =10.000, rk3 =10.000, &end # distance constraint number 62 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.073, r2 = 3.073, r3 = 7.317, r4 = 9.317, rk2 =10.000, rk3 =10.000, &end # distance constraint number 63 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.045, r2 = 2.645, r3 = 2.775, r4 = 4.775, rk2 =10.000, rk3 =10.000, &end # distance constraint number 64 &rst iat = 12, 12, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.032, r2 = 2.932, r3 = 3.032, r4 = 5.032, rk2 =10.000, rk3 =10.000, &end # distance constraint number 65 &rst iat = 12, 10, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.080, r2 = 3.780, r3 = 4.180, r4 = 6.180, rk2 =5.000, rk3 =5.000, &end # distance constraint number 66 &rst iat = 12, 12, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.073, r2 = 3.473, r3 = 4.252, r4 = 6.252, rk2 =7.000, rk3 =7.000, &end # distance constraint number 67 &rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.021, r2 = 4.021, r3 = 4.356, r4 = 6.356, rk2 =5.000, rk3 =5.000, &end # distance constraint number 68 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.034, r2 = 3.234, r3 = 3.480, r4 = 5.480, rk2 =10.000, rk3 =10.000, &end # distance constraint number 69 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.099, r2 = 2.699, r3 = 2.831, r4 = 4.831, rk2 =10.000, rk3 =10.000, &end # distance constraint number 70 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.098, r2 = 2.398, r3 = 2.505, r4 = 4.505, rk2 =10.000, rk3 =10.000, &end # distance constraint number 71 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.075, r2 = 2.875, r3 = 3.075, r4 = 5.075, rk2 =10.000, rk3 =10.000, &end # distance constraint number 72 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.082, r2 = 2.182, r3 = 2.282, r4 = 4.282, rk2 =10.000, rk3 =10.000, &end # distance constraint number 73 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.020, r2 = 2.620, r3 = 2.750, r4 = 4.750, rk2 =10.000, rk3 =10.000, &end # distance constraint number 74 &rst iat = 15, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.013, r2 = 2.913, r3 = 3.044, r4 = 5.044, rk2 =10.000, rk3 =10.000, &end # distance constraint number 75 # distance constraint number 76 &rst iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.094, r2 = 3.694, r3 = 3.889, r4 = 5.889, rk2 =2.000, rk3 =2.000, &end # distance constraint number 77 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.002, r2 = 2.502, r3 = 2.602, r4 = 4.602, rk2 =10.000, rk3 =10.000, &end # distance constraint number 78 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.095, r2 = 2.495, r3 = 2.608, r4 = 4.608, rk2 =10.000, rk3 =10.000, &end # distance constraint number 79 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.085, r2 = 3.385, r3 = 3.662, r4 = 5.662, rk2 =10.000, rk3 =10.000, &end # distance constraint number 80 &rst iat = 17, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.017, r2 = 3.017, r3 = 3.133, r4 = 5.133, rk2 =10.000, rk3 =10.000, &end # distance constraint number 81 &rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 0.048, r2 = 4.048, r3 = 4.289, r4 = 6.289, rk2 =5.000, rk3 =5.000, &end # distance constraint number 82 &rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.050, r2 = 3.650, r3 = 3.850, r4 = 5.850, rk2 =10.000, rk3 =10.000, &end # distance constraint number 83 &rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 0.043, r2 = 3.243, r3 = 3.342, r4 = 5.342, rk2 =10.000, rk3 =10.000, &end # distance constraint number 84 &rst iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.075, r2 = 3.775, r3 = 3.875, r4 = 5.875, rk2 =10.000, rk3 =10.000, &end # distance constraint number 85 &rst iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.098, r2 = 4.098, r3 = 4.555, r4 = 6.555, rk2 =7.000, rk3 =7.000, &end # distance constraint number 86 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.076, r2 = 2.576, r3 = 2.684, r4 = 4.684, rk2 =10.000, rk3 =10.000, &end # distance constraint number 87 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.068, r2 = 2.268, r3 = 2.386, r4 = 4.386, rk2 =10.000, rk3 =10.000, &end # distance constraint number 88 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.065, r2 = 2.065, r3 = 2.265, r4 = 4.265, rk2 =10.000, rk3 =10.000, &end # distance constraint number 89 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.035, r2 = 2.335, r3 = 2.435, r4 = 4.435, rk2 =10.000, rk3 =10.000, &end # distance constraint number 90 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.044, r2 = 3.444, r3 = 3.759, r4 = 5.759, rk2 =10.000, rk3 =10.000, &end # distance constraint number 91 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.042, r2 = 2.642, r3 = 2.742, r4 = 4.742, rk2 =10.000, rk3 =10.000, &end # distance constraint number 92 # distance constraint number 93 &rst iat = 19, 17, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.048, r2 = 3.348, r3 = 3.668, r4 = 5.668, rk2 =10.000, rk3 =10.000, &end # distance constraint number 94 &rst iat = 19, 17, iresid = 1, atnam(1)='H6',atnam(2)='H2''1', r1 = 0.055, r2 = 2.855, r3 = 2.995, r4 = 4.995, rk2 =10.000, rk3 =10.000, &end # distance constraint number 95 &rst iat = 19, 17, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 0.046, r2 = 2.546, r3 = 2.654, r4 = 4.654, rk2 =10.000, rk3 =10.000, &end # distance constraint number 96 &rst iat = 19, 19, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.089, r2 = 3.389, r3 = 3.704, r4 = 5.704, rk2 =10.000, rk3 =10.000, &end # distance constraint number 97 # distance constraint number 98 # distance constraint number 99 # distance constraint number 100 &rst iat = 19, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.065, r2 = 2.665, r3 = 2.865, r4 = 4.865, rk2 =10.000, rk3 =10.000, &end # distance constraint number 101 &rst iat = 19, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.066, r2 = 3.366, r3 = 3.534, r4 = 5.534, rk2 =10.000, rk3 =10.000, &end # distance constraint number 102 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.088, r2 = 2.088, r3 = 2.188, r4 = 4.188, rk2 =10.000, rk3 =10.000, &end # distance constraint number 103 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.090, r2 = 2.290, r3 = 2.390, r4 = 4.390, rk2 =10.000, rk3 =10.000, &end # distance constraint number 104 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.013, r2 = 3.513, r3 = 3.730, r4 = 5.730, rk2 =10.000, rk3 =10.000, &end # distance constraint number 105 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.068, r2 = 2.868, r3 = 2.969, r4 = 4.969, rk2 =10.000, rk3 =10.000, &end # distance constraint number 106 &rst iat = 21, 21, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.095, r2 = 2.895, r3 = 3.095, r4 = 5.095, rk2 =10.000, rk3 =10.000, &end # distance constraint number 107 &rst iat = 21, 19, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.011, r2 = 3.611, r3 = 3.836, r4 = 5.836, rk2 =10.000, rk3 =10.000, &end # distance constraint number 108 &rst iat = 21, 19, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 0.081, r2 = 3.981, r3 = 4.139, r4 = 6.139, rk2 =5.000, rk3 =5.000, &end # distance constraint number 109 &rst iat = 21, 19, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.099, r2 = 3.499, r3 = 3.976, r4 = 5.976, rk2 =10.000, rk3 =10.000, &end # distance constraint number 110 &rst iat = 21, 19, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 0.017, r2 = 2.617, r3 = 3.486, r4 = 5.486, rk2 =10.000, rk3 =10.000, &end # distance constraint number 111 &rst iat = 21, 21, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.003, r2 = 3.503, r3 = 3.920, r4 = 5.920, rk2 =10.000, rk3 =10.000, &end # distance constraint number 112 &rst iat = 21, 21, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.023, r2 = 3.523, r3 = 4.843, r4 = 6.843, rk2 =7.000, rk3 =7.000, &end # distance constraint number 113 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.080, r2 = 2.580, r3 = 2.745, r4 = 4.745, rk2 =10.000, rk3 =10.000, &end # distance constraint number 114 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.036, r2 = 2.236, r3 = 2.344, r4 = 4.344, rk2 =10.000, rk3 =10.000, &end # distance constraint number 115 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.060, r2 = 2.260, r3 = 2.360, r4 = 4.360, rk2 =10.000, rk3 =10.000, &end # distance constraint number 116 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.057, r2 = 2.257, r3 = 2.357, r4 = 4.357, rk2 =10.000, rk3 =10.000, &end # distance constraint number 117 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.032, r2 = 3.532, r3 = 3.775, r4 = 5.775, rk2 =10.000, rk3 =10.000, &end # distance constraint number 118 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.096, r2 = 2.496, r3 = 2.841, r4 = 4.841, rk2 =10.000, rk3 =10.000, &end # distance constraint number 119 # distance constraint number 120 # distance constraint number 121 &rst iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.057, r2 = 3.757, r3 = 3.949, r4 = 5.949, rk2 =7.000, rk3 =7.000, &end # distance constraint number 122 &rst iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H2''1', r1 = 0.050, r2 = 2.850, r3 = 2.977, r4 = 4.977, rk2 =10.000, rk3 =10.000, &end # distance constraint number 123 &rst iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 0.022, r2 = 2.522, r3 = 2.622, r4 = 4.622, rk2 =10.000, rk3 =10.000, &end # distance constraint number 124 &rst iat = 23, 23, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.018, r2 = 3.518, r3 = 3.692, r4 = 5.692, rk2 =10.000, rk3 =10.000, &end # distance constraint number 125 &rst iat = 23, 23, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.078, r2 = 3.678, r3 = 3.948, r4 = 5.948, rk2 =7.000, rk3 =7.000, &end # distance constraint number 126 &rst iat = 331 , 297, r1 = 0.009, r2 = 3.709, r3 = 4.321, r4 = 6.321, rk2 =10.000, rk3 =10.000, &end # distance constraint number 127 &rst iat = 331 , 312, r1 = 0.024, r2 = 3.624, r3 = 4.253, r4 = 6.253, rk2 =10.000, rk3 =10.000, &end # distance constraint number 128 &rst iat = 331 , 313, r1 = 0.040, r2 = 3.940, r3 = 4.627, r4 = 6.627, rk2 =10.000, rk3 =10.000, &end # distance constraint number 129 &rst iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.095, r2 = 2.195, r3 = 2.395, r4 = 4.395, rk2 =10.000, rk3 =10.000, &end # distance constraint number 130 &rst iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.077, r2 = 3.277, r3 = 3.493, r4 = 5.493, rk2 =10.000, rk3 =10.000, &end # distance constraint number 131 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.016, r2 = 2.916, r3 = 3.067, r4 = 5.067, rk2 =10.000, rk3 =10.000, &end # distance constraint number 132 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.033, r2 = 2.033, r3 = 2.133, r4 = 4.133, rk2 =10.000, rk3 =10.000, &end # distance constraint number 133 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.092, r2 = 2.192, r3 = 2.292, r4 = 4.292, rk2 =10.000, rk3 =10.000, &end # distance constraint number 134 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.083, r2 = 2.283, r3 = 2.383, r4 = 4.383, rk2 =10.000, rk3 =10.000, &end # distance constraint number 135 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.095, r2 = 3.095, r3 = 7.321, r4 = 9.321, rk2 =10.000, rk3 =10.000, &end # distance constraint number 136 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.045, r2 = 2.645, r3 = 2.775, r4 = 4.775, rk2 =10.000, rk3 =10.000, &end # distance constraint number 137 &rst iat = 25, 25, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.032, r2 = 2.932, r3 = 3.032, r4 = 5.032, rk2 =10.000, rk3 =10.000, &end # distance constraint number 138 &rst iat = 25, 23, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.080, r2 = 3.780, r3 = 4.180, r4 = 6.180, rk2 =5.000, rk3 =5.000, &end # distance constraint number 139 &rst iat = 25, 25, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.073, r2 = 3.473, r3 = 4.252, r4 = 6.252, rk2 =7.000, rk3 =7.000, &end # distance constraint number 140 &rst iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.021, r2 = 4.021, r3 = 4.356, r4 = 6.356, rk2 =5.000, rk3 =5.000, &end # distance constraint number 141 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.034, r2 = 3.234, r3 = 3.480, r4 = 5.480, rk2 =10.000, rk3 =10.000, &end # distance constraint number 142 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.099, r2 = 2.699, r3 = 2.831, r4 = 4.831, rk2 =10.000, rk3 =10.000, &end # distance constraint number 143 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.098, r2 = 2.398, r3 = 2.505, r4 = 4.505, rk2 =10.000, rk3 =10.000, &end # distance constraint number 144 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.075, r2 = 2.875, r3 = 3.075, r4 = 5.075, rk2 =10.000, rk3 =10.000, &end # distance constraint number 145 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.082, r2 = 2.182, r3 = 2.282, r4 = 4.282, rk2 =10.000, rk3 =10.000, &end # distance constraint number 146 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.020, r2 = 2.620, r3 = 2.750, r4 = 4.750, rk2 =10.000, rk3 =10.000, &end # distance constraint number 147 &rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.069, r2 = 4.069, r3 = 4.341, r4 = 6.341, rk2 =7.000, rk3 =7.000, &end # distance constraint number 148 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.063, r2 = 3.063, r3 = 3.497, r4 = 5.497, rk2 =10.000, rk3 =10.000, &end # distance constraint number 149 &rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.083, r2 = 4.383, r3 = 4.530, r4 = 6.530, rk2 =7.000, rk3 =7.000, &end # distance constraint number 150 &rst iat = 4, 4, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.077, r2 = 3.577, r3 = 3.733, r4 = 5.733, rk2 =10.000, rk3 =10.000, &end # distance constraint number 151 &rst iat = 6, 4, iresid = 1, atnam(1)='H6',atnam(2)='H3''', r1 = 0.058, r2 = 3.858, r3 = 4.177, r4 = 6.177, rk2 =7.000, rk3 =7.000, &end # distance constraint number 152 &rst iat = 6, 6, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.013, r2 = 3.813, r3 = 3.947, r4 = 5.947, rk2 =7.000, rk3 =7.000, &end # distance constraint number 153 # distance constraint number 154 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.023, r2 = 3.423, r3 = 3.887, r4 = 5.887, rk2 =10.000, rk3 =10.000, &end # distance constraint number 155 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.014, r2 = 3.114, r3 = 3.266, r4 = 5.266, rk2 =10.000, rk3 =10.000, &end # distance constraint number 156 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.008, r2 = 3.708, r3 = 3.937, r4 = 5.937, rk2 =10.000, rk3 =10.000, &end # distance constraint number 157 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.075, r2 = 2.275, r3 = 2.375, r4 = 4.375, rk2 =10.000, rk3 =10.000, &end # distance constraint number 158 &rst iat = 8, 8, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.080, r2 = 3.480, r3 = 3.710, r4 = 5.710, rk2 =10.000, rk3 =10.000, &end # distance constraint number 159 &rst iat = 10, 8, iresid = 1, atnam(1)='H6',atnam(2)='H3''', r1 = 0.073, r2 = 4.073, r3 = 4.173, r4 = 6.173, rk2 =7.000, rk3 =7.000, &end # distance constraint number 160 &rst iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.079, r2 = 3.579, r3 = 3.711, r4 = 5.711, rk2 =10.000, rk3 =10.000, &end # distance constraint number 161 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.024, r2 = 3.324, r3 = 3.866, r4 = 5.866, rk2 =10.000, rk3 =10.000, &end # distance constraint number 162 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.020, r2 = 2.820, r3 = 3.020, r4 = 5.020, rk2 =10.000, rk3 =10.000, &end # distance constraint number 163 &rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.070, r2 = 3.670, r3 = 3.770, r4 = 5.770, rk2 =10.000, rk3 =10.000, &end # distance constraint number 164 &rst iat = 15, 15, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.069, r2 = 4.069, r3 = 4.341, r4 = 6.341, rk2 =7.000, rk3 =7.000, &end # distance constraint number 165 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.063, r2 = 3.063, r3 = 3.497, r4 = 5.497, rk2 =10.000, rk3 =10.000, &end # distance constraint number 166 &rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.083, r2 = 4.383, r3 = 4.530, r4 = 6.530, rk2 =7.000, rk3 =7.000, &end # distance constraint number 167 &rst iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.077, r2 = 3.577, r3 = 3.733, r4 = 5.733, rk2 =10.000, rk3 =10.000, &end # distance constraint number 168 &rst iat = 19, 17, iresid = 1, atnam(1)='H6',atnam(2)='H3''', r1 = 0.058, r2 = 3.858, r3 = 4.177, r4 = 6.177, rk2 =7.000, rk3 =7.000, &end # distance constraint number 169 &rst iat = 19, 19, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.013, r2 = 3.813, r3 = 3.947, r4 = 5.947, rk2 =7.000, rk3 =7.000, &end # distance constraint number 170 # distance constraint number 171 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.023, r2 = 3.423, r3 = 3.887, r4 = 5.887, rk2 =10.000, rk3 =10.000, &end # distance constraint number 172 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.014, r2 = 3.114, r3 = 3.266, r4 = 5.266, rk2 =10.000, rk3 =10.000, &end # distance constraint number 173 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.008, r2 = 3.708, r3 = 3.937, r4 = 5.937, rk2 =10.000, rk3 =10.000, &end # distance constraint number 174 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.075, r2 = 2.275, r3 = 2.375, r4 = 4.375, rk2 =10.000, rk3 =10.000, &end # distance constraint number 175 &rst iat = 21, 21, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.080, r2 = 3.480, r3 = 3.710, r4 = 5.710, rk2 =10.000, rk3 =10.000, &end # distance constraint number 176 &rst iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H3''', r1 = 0.073, r2 = 4.073, r3 = 4.173, r4 = 6.173, rk2 =7.000, rk3 =7.000, &end # distance constraint number 177 &rst iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.079, r2 = 3.579, r3 = 3.711, r4 = 5.711, rk2 =10.000, rk3 =10.000, &end # distance constraint number 178 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.024, r2 = 3.324, r3 = 3.866, r4 = 5.866, rk2 =10.000, rk3 =10.000, &end # distance constraint number 179 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.020, r2 = 2.820, r3 = 3.020, r4 = 5.020, rk2 =10.000, rk3 =10.000, &end # distance constraint number 180 &rst iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.070, r2 = 3.670, r3 = 3.770, r4 = 5.770, rk2 =10.000, rk3 =10.000, &end # distance constraint number 181 &rst iat = 2, 2, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.055, r2 = 3.955, r3 = 4.155, r4 = 6.155, rk2 =10.000, rk3 =10.000, &end # distance constraint number 182 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.030, r2 = 2.330, r3 = 2.530, r4 = 4.530, rk2 =10.000, rk3 =10.000, &end # distance constraint number 183 # distance constraint number 184 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.095, r2 = 3.495, r3 = 3.695, r4 = 5.695, rk2 =10.000, rk3 =10.000, &end # distance constraint number 185 # distance constraint number 186 &rst iat = 6, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.065, r2 = 3.065, r3 = 3.265, r4 = 5.265, rk2 =10.000, rk3 =10.000, &end # distance constraint number 187 &rst iat = 8, 8, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.030, r2 = 4.730, r3 = 4.930, r4 = 6.930, rk2 =5.000, rk3 =5.000, &end # distance constraint number 188 # distance constraint number 189 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.085, r2 = 4.085, r3 = 4.285, r4 = 6.285, rk2 =10.000, rk3 =10.000, &end # distance constraint number 190 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.040, r2 = 4.440, r3 = 4.710, r4 = 6.710, rk2 =10.000, rk3 =10.000, &end # distance constraint number 191 # distance constraint number 192 # distance constraint number 193 &rst iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.055, r2 = 3.955, r3 = 4.155, r4 = 6.155, rk2 =10.000, rk3 =10.000, &end # distance constraint number 194 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.030, r2 = 2.330, r3 = 2.530, r4 = 4.530, rk2 =10.000, rk3 =10.000, &end # distance constraint number 195 # distance constraint number 196 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.095, r2 = 3.495, r3 = 3.695, r4 = 5.695, rk2 =10.000, rk3 =10.000, &end # distance constraint number 197 # distance constraint number 198 &rst iat = 19, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.065, r2 = 3.065, r3 = 3.265, r4 = 5.265, rk2 =10.000, rk3 =10.000, &end # distance constraint number 199 &rst iat = 21, 21, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.030, r2 = 4.730, r3 = 4.930, r4 = 6.930, rk2 =5.000, rk3 =5.000, &end # distance constraint number 200 # distance constraint number 201 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.085, r2 = 4.085, r3 = 4.285, r4 = 6.285, rk2 =10.000, rk3 =10.000, &end # distance constraint number 202 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.040, r2 = 4.440, r3 = 4.710, r4 = 6.710, rk2 =10.000, rk3 =10.000, &end # distance constraint number 203 # distance constraint number 204
Contact the webmaster for help, if required. Saturday, May 4, 2024 2:24:58 PM GMT (wattos1)