NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
476129 | 1buf | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# d(CAATTG)2 # distance constraint number 1 &rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.011, r2 = 4.211, r3 = 4.386, r4 = 6.386, rk2 =2.000, rk3 =2.000, &end # distance constraint number 2 &rst iat = 2, 2, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.020, r2 = 3.020, r3 = 3.220, r4 = 5.220, rk2 =10.000, rk3 =10.000, &end # distance constraint number 3 &rst iat = 2, 2, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.003, r2 = 3.503, r3 = 3.690, r4 = 5.690, rk2 =7.000, rk3 =7.000, &end # distance constraint number 4 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.092, r2 = 2.492, r3 = 2.592, r4 = 4.592, 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 = 0.085, r2 = 2.585, r3 = 2.685, r4 = 4.685, rk2 =10.000, rk3 =10.000, &end # distance constraint number 6 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.067, r2 = 2.567, r3 = 2.667, r4 = 4.667, rk2 =10.000, rk3 =10.000, &end # distance constraint number 7 &rst iat = 4, 4, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.029, r2 = 2.829, r3 = 3.217, r4 = 5.217, rk2 =10.000, rk3 =10.000, &end # distance constraint number 8 &rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 0.093, r2 = 3.393, r3 = 3.597, r4 = 5.597, rk2 =7.000, rk3 =7.000, &end # distance constraint number 9 &rst iat = 4, 4, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.005, r2 = 2.705, r3 = 2.805, r4 = 4.805, rk2 =10.000, rk3 =10.000, &end # distance constraint number 10 &rst iat = 4, 4, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.051, r2 = 3.851, r3 = 3.959, r4 = 5.959, rk2 =7.000, rk3 =7.000, &end # distance constraint number 11 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.037, r2 = 2.637, r3 = 3.057, r4 = 5.057, rk2 =10.000, rk3 =10.000, &end # distance constraint number 12 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.035, r2 = 2.235, r3 = 2.335, r4 = 4.335, rk2 =10.000, rk3 =10.000, &end # distance constraint number 13 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.070, r2 = 2.370, r3 = 2.507, r4 = 4.507, rk2 =10.000, rk3 =10.000, &end # distance constraint number 14 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.092, r2 = 3.092, r3 = 3.192, r4 = 5.192, rk2 =10.000, rk3 =10.000, &end # distance constraint number 15 &rst iat = 6, 6, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.003, r2 = 2.903, r3 = 3.003, r4 = 5.003, rk2 =10.000, rk3 =10.000, &end # distance constraint number 16 &rst iat = 6, 4, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.027, r2 = 2.927, r3 = 3.213, r4 = 5.213, rk2 =10.000, rk3 =10.000, &end # distance constraint number 17 &rst iat = 6, 4, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.042, r2 = 2.742, r3 = 3.468, r4 = 5.468, rk2 =10.000, rk3 =10.000, &end # distance constraint number 18 &rst iat = 6, 6, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.007, r2 = 3.507, r3 = 3.653, r4 = 5.653, rk2 =7.000, rk3 =7.000, &end # distance constraint number 19 &rst iat = 6, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.046, r2 = 2.746, r3 = 2.857, r4 = 4.857, rk2 =10.000, rk3 =10.000, &end # distance constraint number 20 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.049, r2 = 2.649, r3 = 2.857, r4 = 4.857, rk2 =10.000, rk3 =10.000, &end # distance constraint number 21 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.085, r2 = 2.085, r3 = 2.185, r4 = 4.185, rk2 =10.000, rk3 =10.000, &end # distance constraint number 22 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.073, r2 = 2.173, r3 = 2.273, r4 = 4.273, rk2 =10.000, rk3 =10.000, &end # distance constraint number 23 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.030, r2 = 2.330, r3 = 2.430, r4 = 4.430, rk2 =10.000, rk3 =10.000, &end # distance constraint number 24 &rst iat = 8, 8, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.070, r2 = 2.770, r3 = 2.970, r4 = 4.970, rk2 =10.000, rk3 =10.000, &end # distance constraint number 25 &rst iat = 8, 6, iresid = 1, atnam(1)='H6',atnam(2)='H2''1', r1 = 0.017, r2 = 2.817, r3 = 2.953, r4 = 4.953, rk2 =10.000, rk3 =10.000, &end # distance constraint number 26 &rst iat = 8, 6, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 0.073, r2 = 2.373, r3 = 2.473, r4 = 4.473, rk2 =10.000, rk3 =10.000, &end # distance constraint number 27 &rst iat = 109 , 90, r1 = 0.022, r2 = 3.422, r3 = 4.044, r4 = 6.044, rk2 =10.000, rk3 =10.000, &end # distance constraint number 28 &rst iat = 8, 8, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.065, r2 = 2.465, r3 = 2.665, r4 = 4.665, rk2 =10.000, rk3 =10.000, &end # distance constraint number 29 &rst iat = 8, 8, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.067, r2 = 3.267, r3 = 3.699, r4 = 5.699, rk2 =10.000, rk3 =10.000, &end # distance constraint number 30 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.045, r2 = 2.045, r3 = 2.145, r4 = 4.145, rk2 =10.000, rk3 =10.000, &end # distance constraint number 31 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.072, r2 = 2.072, r3 = 2.172, r4 = 4.172, rk2 =10.000, rk3 =10.000, &end # distance constraint number 32 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.054, r2 = 3.054, r3 = 3.436, r4 = 5.436, rk2 =10.000, rk3 =10.000, &end # distance constraint number 33 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.064, r2 = 2.664, r3 = 2.873, r4 = 4.873, rk2 =10.000, rk3 =10.000, &end # distance constraint number 34 &rst iat = 10, 8, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 0.007, r2 = 2.407, r3 = 2.507, r4 = 4.507, rk2 =10.000, rk3 =10.000, &end # distance constraint number 35 # distance constraint number 36 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.015, r2 = 2.215, r3 = 2.315, r4 = 4.315, rk2 =10.000, rk3 =10.000, &end # distance constraint number 37 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.019, r2 = 2.619, r3 = 2.994, r4 = 4.994, rk2 =10.000, rk3 =10.000, &end # distance constraint number 38 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.076, r2 = 3.076, r3 = 3.200, r4 = 5.200, rk2 =10.000, rk3 =10.000, &end # distance constraint number 39 &rst iat = 12, 12, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.068, r2 = 2.868, r3 = 2.968, r4 = 4.968, rk2 =10.000, rk3 =10.000, &end # distance constraint number 40 &rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.000, r2 = 2.800, r3 = 2.900, r4 = 4.900, rk2 =10.000, rk3 =10.000, &end # distance constraint number 41 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.052, r2 = 3.152, r3 = 3.395, r4 = 5.395, rk2 =10.000, rk3 =10.000, &end # distance constraint number 42 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.058, r2 = 2.358, r3 = 2.458, r4 = 4.458, rk2 =10.000, rk3 =10.000, &end # distance constraint number 43 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.008, r2 = 2.408, r3 = 2.508, r4 = 4.508, rk2 =10.000, rk3 =10.000, &end # distance constraint number 44 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.078, r2 = 2.178, r3 = 2.278, r4 = 4.278, rk2 =10.000, rk3 =10.000, &end # distance constraint number 45 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.097, r2 = 2.497, r3 = 2.663, r4 = 4.663, rk2 =10.000, rk3 =10.000, &end # distance constraint number 46 &rst iat = 15, 15, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.011, r2 = 4.211, r3 = 4.386, r4 = 6.386, rk2 =2.000, rk3 =2.000, &end # distance constraint number 47 &rst iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.020, r2 = 3.020, r3 = 3.220, r4 = 5.220, rk2 =10.000, rk3 =10.000, &end # distance constraint number 48 &rst iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.003, r2 = 3.503, r3 = 3.690, r4 = 5.690, rk2 =7.000, rk3 =7.000, &end # distance constraint number 49 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.092, r2 = 2.492, r3 = 2.592, r4 = 4.592, rk2 =10.000, rk3 =10.000, &end # distance constraint number 50 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.085, r2 = 2.585, r3 = 2.685, r4 = 4.685, rk2 =10.000, rk3 =10.000, &end # distance constraint number 51 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.067, r2 = 2.567, r3 = 2.667, r4 = 4.667, rk2 =10.000, rk3 =10.000, &end # distance constraint number 52 &rst iat = 17, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.029, r2 = 2.829, r3 = 3.217, r4 = 5.217, rk2 =10.000, rk3 =10.000, &end # distance constraint number 53 &rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 0.093, r2 = 3.393, r3 = 3.597, r4 = 5.597, rk2 =7.000, rk3 =7.000, &end # distance constraint number 54 &rst iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.005, r2 = 2.705, r3 = 2.805, r4 = 4.805, rk2 =10.000, rk3 =10.000, &end # distance constraint number 55 &rst iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.051, r2 = 3.851, r3 = 3.959, r4 = 5.959, rk2 =7.000, rk3 =7.000, &end # distance constraint number 56 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.037, r2 = 2.637, r3 = 3.057, r4 = 5.057, rk2 =10.000, rk3 =10.000, &end # distance constraint number 57 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.035, r2 = 2.235, r3 = 2.335, r4 = 4.335, rk2 =10.000, rk3 =10.000, &end # distance constraint number 58 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.070, r2 = 2.370, r3 = 2.507, r4 = 4.507, rk2 =10.000, rk3 =10.000, &end # distance constraint number 59 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.092, r2 = 3.092, r3 = 3.192, r4 = 5.192, rk2 =10.000, rk3 =10.000, &end # distance constraint number 60 &rst iat = 19, 19, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.003, r2 = 2.903, r3 = 3.003, r4 = 5.003, rk2 =10.000, rk3 =10.000, &end # distance constraint number 61 &rst iat = 19, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.027, r2 = 2.927, r3 = 3.213, r4 = 5.213, rk2 =10.000, rk3 =10.000, &end # distance constraint number 62 &rst iat = 19, 17, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.042, r2 = 2.742, r3 = 3.468, r4 = 5.468, rk2 =10.000, rk3 =10.000, &end # distance constraint number 63 &rst iat = 19, 19, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.007, r2 = 3.507, r3 = 3.653, r4 = 5.653, rk2 =7.000, rk3 =7.000, &end # distance constraint number 64 &rst iat = 19, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.046, r2 = 2.746, r3 = 2.857, r4 = 4.857, rk2 =10.000, rk3 =10.000, &end # distance constraint number 65 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.049, r2 = 2.649, r3 = 2.857, r4 = 4.857, rk2 =10.000, rk3 =10.000, &end # distance constraint number 66 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.085, r2 = 2.085, r3 = 2.185, r4 = 4.185, rk2 =10.000, rk3 =10.000, &end # distance constraint number 67 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.073, r2 = 2.173, r3 = 2.273, r4 = 4.273, rk2 =10.000, rk3 =10.000, &end # distance constraint number 68 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.030, r2 = 2.330, r3 = 2.430, r4 = 4.430, rk2 =10.000, rk3 =10.000, &end # distance constraint number 69 &rst iat = 21, 21, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.070, r2 = 2.770, r3 = 2.970, r4 = 4.970, rk2 =10.000, rk3 =10.000, &end # distance constraint number 70 &rst iat = 21, 19, iresid = 1, atnam(1)='H6',atnam(2)='H2''1', r1 = 0.017, r2 = 2.817, r3 = 2.953, r4 = 4.953, rk2 =10.000, rk3 =10.000, &end # distance constraint number 71 &rst iat = 21, 19, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 0.073, r2 = 2.373, r3 = 2.473, r4 = 4.473, rk2 =10.000, rk3 =10.000, &end # distance constraint number 72 &rst iat = 299 , 280, r1 = 0.025, r2 = 3.425, r3 = 4.045, r4 = 6.045, rk2 =10.000, rk3 =10.000, &end # distance constraint number 73 &rst iat = 21, 21, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.065, r2 = 2.465, r3 = 2.665, r4 = 4.665, rk2 =10.000, rk3 =10.000, &end # distance constraint number 74 &rst iat = 21, 21, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.067, r2 = 3.267, r3 = 3.699, r4 = 5.699, rk2 =10.000, rk3 =10.000, &end # distance constraint number 75 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.045, r2 = 2.045, r3 = 2.145, r4 = 4.145, rk2 =10.000, rk3 =10.000, &end # distance constraint number 76 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.072, r2 = 2.072, r3 = 2.172, r4 = 4.172, rk2 =10.000, rk3 =10.000, &end # distance constraint number 77 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.054, r2 = 3.054, r3 = 3.436, r4 = 5.436, rk2 =10.000, rk3 =10.000, &end # distance constraint number 78 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.064, r2 = 2.664, r3 = 2.873, r4 = 4.873, rk2 =10.000, rk3 =10.000, &end # distance constraint number 79 &rst iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 0.007, r2 = 2.407, r3 = 2.507, r4 = 4.507, rk2 =10.000, rk3 =10.000, &end # distance constraint number 80 # distance constraint number 81 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.015, r2 = 2.215, r3 = 2.315, r4 = 4.315, rk2 =10.000, rk3 =10.000, &end # distance constraint number 82 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.019, r2 = 2.619, r3 = 2.994, r4 = 4.994, rk2 =10.000, rk3 =10.000, &end # distance constraint number 83 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.076, r2 = 3.076, r3 = 3.200, r4 = 5.200, rk2 =10.000, rk3 =10.000, &end # distance constraint number 84 &rst iat = 25, 25, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.068, r2 = 2.868, r3 = 2.968, r4 = 4.968, rk2 =10.000, rk3 =10.000, &end # distance constraint number 85 &rst iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.000, r2 = 2.800, r3 = 2.900, r4 = 4.900, rk2 =10.000, rk3 =10.000, &end # distance constraint number 86 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.052, r2 = 3.152, r3 = 3.395, r4 = 5.395, rk2 =10.000, rk3 =10.000, &end # distance constraint number 87 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.058, r2 = 2.358, r3 = 2.458, r4 = 4.458, rk2 =10.000, rk3 =10.000, &end # distance constraint number 88 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.008, r2 = 2.408, r3 = 2.508, r4 = 4.508, rk2 =10.000, rk3 =10.000, &end # distance constraint number 89 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.078, r2 = 2.178, r3 = 2.278, r4 = 4.278, rk2 =10.000, rk3 =10.000, &end # distance constraint number 90 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.097, r2 = 2.497, r3 = 2.663, r4 = 4.663, rk2 =10.000, rk3 =10.000, &end # distance constraint number 91 &rst iat = 2, 2, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.009, r2 = 3.109, r3 = 3.216, r4 = 5.216, rk2 =10.000, rk3 =10.000, &end # distance constraint number 92 &rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.069, r2 = 3.369, r3 = 3.526, r4 = 5.526, rk2 =10.000, rk3 =10.000, &end # distance constraint number 93 &rst iat = 2, 2, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.045, r2 = 4.045, r3 = 4.245, r4 = 6.245, rk2 =2.000, rk3 =2.000, &end # distance constraint number 94 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.032, r2 = 3.432, r3 = 3.653, r4 = 5.653, rk2 =7.000, rk3 =7.000, &end # distance constraint number 95 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.034, r2 = 3.234, r3 = 3.596, r4 = 5.596, rk2 =10.000, rk3 =10.000, &end # distance constraint number 96 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.023, r2 = 3.823, r3 = 5.237, r4 = 7.237, rk2 =2.000, rk3 =2.000, &end # distance constraint number 97 &rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 0.049, r2 = 3.849, r3 = 4.041, r4 = 6.041, rk2 =5.000, rk3 =5.000, &end # distance constraint number 98 &rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.005, r2 = 3.505, r3 = 3.605, r4 = 5.605, rk2 =7.000, rk3 =7.000, &end # distance constraint number 99 &rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.078, r2 = 3.678, r3 = 3.778, r4 = 5.778, rk2 =7.000, rk3 =7.000, &end # distance constraint number 100 &rst iat = 6, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.015, r2 = 3.915, r3 = 4.015, r4 = 6.015, rk2 =7.000, rk3 =7.000, &end # distance constraint number 101 &rst iat = 8, 6, iresid = 1, atnam(1)='H4''',atnam(2)='H1''', r1 = 0.062, r2 = 3.662, r3 = 3.943, r4 = 5.943, rk2 =7.000, rk3 =7.000, &end # distance constraint number 102 &rst iat = 8, 6, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.083, r2 = 3.383, r3 = 3.483, r4 = 5.483, rk2 =10.000, rk3 =10.000, &end # distance constraint number 103 &rst iat = 8, 6, iresid = 1, atnam(1)='H6',atnam(2)='H3''', r1 = 0.008, r2 = 4.108, r3 = 4.237, r4 = 6.237, rk2 =5.000, rk3 =5.000, &end # distance constraint number 104 &rst iat = 8, 8, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.027, r2 = 3.727, r3 = 3.838, r4 = 5.838, rk2 =5.000, rk3 =5.000, &end # distance constraint number 105 &rst iat = 8, 8, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.058, r2 = 3.358, r3 = 3.767, r4 = 5.767, rk2 =7.000, rk3 =7.000, &end # distance constraint number 106 &rst iat = 109 , 72, r1 = 0.098, r2 = 4.798, r3 = 5.367, r4 = 7.367, rk2 =5.000, rk3 =5.000, &end # distance constraint number 107 &rst iat = 109 , 88, r1 = 0.068, r2 = 4.268, r3 = 4.867, r4 = 6.867, rk2 =7.000, rk3 =7.000, &end # distance constraint number 108 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.019, r2 = 3.319, r3 = 3.561, r4 = 5.561, rk2 =7.000, rk3 =7.000, &end # distance constraint number 109 # distance constraint number 110 # distance constraint number 111 &rst iat = 141 , 120, r1 = 0.038, r2 = 4.138, r3 = 4.642, r4 = 6.642, rk2 =7.000, rk3 =7.000, &end # distance constraint number 112 &rst iat = 141 , 123, r1 = 0.041, r2 = 3.541, r3 = 4.439, r4 = 6.439, rk2 =10.000, rk3 =10.000, &end # distance constraint number 113 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.082, r2 = 3.382, r3 = 3.753, r4 = 5.753, rk2 =7.000, rk3 =7.000, &end # distance constraint number 114 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.005, r2 = 2.205, r3 = 2.405, r4 = 4.405, rk2 =10.000, rk3 =10.000, &end # distance constraint number 115 &rst iat = 12, 10, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.005, r2 = 3.805, r3 = 3.905, r4 = 5.905, rk2 =5.000, rk3 =5.000, &end # distance constraint number 116 &rst iat = 12, 10, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.029, r2 = 3.729, r3 = 4.216, r4 = 6.216, rk2 =7.000, rk3 =7.000, &end # distance constraint number 117 &rst iat = 12, 10, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 0.015, r2 = 3.215, r3 = 3.315, r4 = 5.315, rk2 =10.000, rk3 =10.000, &end # distance constraint number 118 &rst iat = 12, 12, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.085, r2 = 3.685, r3 = 3.785, r4 = 5.785, rk2 =7.000, rk3 =7.000, &end # distance constraint number 119 &rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.028, r2 = 3.728, r3 = 3.987, r4 = 5.987, rk2 =7.000, rk3 =7.000, &end # distance constraint number 120 &rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.069, r2 = 3.369, r3 = 3.521, r4 = 5.521, rk2 =10.000, rk3 =10.000, &end # distance constraint number 121 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.061, r2 = 3.661, r3 = 5.094, r4 = 7.094, rk2 =5.000, rk3 =5.000, &end # distance constraint number 122 &rst iat = 15, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.009, r2 = 3.109, r3 = 3.216, r4 = 5.216, rk2 =10.000, rk3 =10.000, &end # distance constraint number 123 &rst iat = 15, 15, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.069, r2 = 3.369, r3 = 3.526, r4 = 5.526, rk2 =7.000, rk3 =7.000, &end # distance constraint number 124 &rst iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.045, r2 = 4.045, r3 = 4.245, r4 = 6.245, rk2 =2.000, rk3 =2.000, &end # distance constraint number 125 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.032, r2 = 3.432, r3 = 3.653, r4 = 5.653, rk2 =7.000, rk3 =7.000, &end # distance constraint number 126 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.034, r2 = 3.234, r3 = 3.596, r4 = 5.596, rk2 =10.000, rk3 =10.000, &end # distance constraint number 127 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.023, r2 = 3.823, r3 = 5.237, r4 = 7.237, rk2 =2.000, rk3 =2.000, &end # distance constraint number 128 &rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 0.049, r2 = 3.849, r3 = 4.041, r4 = 6.041, rk2 =5.000, rk3 =5.000, &end # distance constraint number 129 &rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.005, r2 = 3.505, r3 = 3.605, r4 = 5.605, rk2 =7.000, rk3 =7.000, &end # distance constraint number 130 &rst iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.078, r2 = 3.678, r3 = 3.778, r4 = 5.778, rk2 =7.000, rk3 =7.000, &end # distance constraint number 131 &rst iat = 19, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.015, r2 = 3.915, r3 = 4.015, r4 = 6.015, rk2 =7.000, rk3 =7.000, &end # distance constraint number 132 &rst iat = 21, 19, iresid = 1, atnam(1)='H4''',atnam(2)='H1''', r1 = 0.062, r2 = 3.662, r3 = 3.943, r4 = 5.943, rk2 =7.000, rk3 =7.000, &end # distance constraint number 133 &rst iat = 21, 19, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.083, r2 = 3.383, r3 = 3.483, r4 = 5.483, rk2 =10.000, rk3 =10.000, &end # distance constraint number 134 &rst iat = 21, 19, iresid = 1, atnam(1)='H6',atnam(2)='H3''', r1 = 0.008, r2 = 4.108, r3 = 4.237, r4 = 6.237, rk2 =5.000, rk3 =5.000, &end # distance constraint number 135 &rst iat = 21, 21, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.027, r2 = 3.727, r3 = 3.838, r4 = 5.838, rk2 =5.000, rk3 =5.000, &end # distance constraint number 136 &rst iat = 21, 21, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.058, r2 = 3.358, r3 = 3.767, r4 = 5.767, rk2 =7.000, rk3 =7.000, &end # distance constraint number 137 &rst iat = 299 , 262, r1 = 0.098, r2 = 4.798, r3 = 5.367, r4 = 7.367, rk2 =5.000, rk3 =5.000, &end # distance constraint number 138 &rst iat = 299 , 278, r1 = 0.068, r2 = 4.268, r3 = 4.867, r4 = 6.867, rk2 =7.000, rk3 =7.000, &end # distance constraint number 139 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.019, r2 = 3.319, r3 = 3.561, r4 = 5.561, rk2 =7.000, rk3 =7.000, &end # distance constraint number 140 # distance constraint number 141 # distance constraint number 142 &rst iat = 331 , 310, r1 = 0.036, r2 = 4.136, r3 = 4.639, r4 = 6.639, rk2 =7.000, rk3 =7.000, &end # distance constraint number 143 &rst iat = 331 , 313, r1 = 0.041, r2 = 3.541, r3 = 4.439, r4 = 6.439, rk2 =10.000, rk3 =10.000, &end # distance constraint number 144 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.082, r2 = 3.382, r3 = 3.753, r4 = 5.753, rk2 =7.000, rk3 =7.000, &end # distance constraint number 145 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.005, r2 = 2.205, r3 = 2.405, r4 = 4.405, rk2 =10.000, rk3 =10.000, &end # distance constraint number 146 &rst iat = 25, 23, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.005, r2 = 3.805, r3 = 3.905, r4 = 5.905, rk2 =5.000, rk3 =5.000, &end # distance constraint number 147 &rst iat = 25, 23, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.029, r2 = 3.729, r3 = 4.216, r4 = 6.216, rk2 =7.000, rk3 =7.000, &end # distance constraint number 148 &rst iat = 25, 23, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 0.015, r2 = 3.215, r3 = 3.315, r4 = 5.315, rk2 =10.000, rk3 =10.000, &end # distance constraint number 149 &rst iat = 25, 25, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.085, r2 = 3.685, r3 = 3.785, r4 = 5.785, rk2 =7.000, rk3 =7.000, &end # distance constraint number 150 &rst iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.028, r2 = 3.728, r3 = 3.987, r4 = 5.987, rk2 =7.000, rk3 =7.000, &end # distance constraint number 151 &rst iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.069, r2 = 3.369, r3 = 3.521, r4 = 5.521, rk2 =10.000, rk3 =10.000, &end # distance constraint number 152 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.061, r2 = 3.661, r3 = 5.094, r4 = 7.094, rk2 =5.000, rk3 =5.000, &end # distance constraint number 153 &rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.040, r2 = 4.640, r3 = 4.840, r4 = 6.840, rk2 =2.000, rk3 =2.000, &end # distance constraint number 154 &rst iat = 6, 6, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.000, r2 = 4.300, r3 = 4.500, r4 = 6.500, rk2 =2.000, rk3 =2.000, &end # distance constraint number 155 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.052, r2 = 3.752, r3 = 4.422, r4 = 6.422, rk2 =7.000, rk3 =7.000, &end # distance constraint number 156 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.015, r2 = 3.715, r3 = 3.915, r4 = 5.915, rk2 =10.000, rk3 =10.000, &end # distance constraint number 157 &rst iat = 8, 8, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.035, r2 = 3.335, r3 = 3.535, r4 = 5.535, rk2 =10.000, rk3 =10.000, &end # distance constraint number 158 &rst iat = 10, 8, iresid = 1, atnam(1)='H6',atnam(2)='H3''', r1 = 0.050, r2 = 2.750, r3 = 2.950, r4 = 4.950, rk2 =10.000, rk3 =10.000, &end # distance constraint number 159 &rst iat = 141 , 104, r1 = 0.090, r2 = 4.390, r3 = 4.990, r4 = 6.990, rk2 =10.000, rk3 =10.000, &end # distance constraint number 160 &rst iat = 12, 10, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 0.015, r2 = 4.215, r3 = 4.415, r4 = 6.415, rk2 =2.000, rk3 =2.000, &end # distance constraint number 161 &rst iat = 12, 12, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.055, r2 = 4.955, r3 = 5.155, r4 = 7.155, rk2 =2.000, rk3 =2.000, &end # distance constraint number 162 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.055, r2 = 3.855, r3 = 4.055, r4 = 6.055, rk2 =10.000, rk3 =10.000, &end # distance constraint number 163 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.085, r2 = 3.785, r3 = 3.985, r4 = 5.985, rk2 =10.000, rk3 =10.000, &end # distance constraint number 164 &rst iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.040, r2 = 4.640, r3 = 4.840, r4 = 6.840, rk2 =2.000, rk3 =2.000, &end # distance constraint number 165 &rst iat = 19, 19, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.000, r2 = 4.300, r3 = 4.500, r4 = 6.500, rk2 =2.000, rk3 =2.000, &end # distance constraint number 166 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.052, r2 = 3.752, r3 = 4.422, r4 = 6.422, rk2 =7.000, rk3 =7.000, &end # distance constraint number 167 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.015, r2 = 3.715, r3 = 3.915, r4 = 5.915, rk2 =10.000, rk3 =10.000, &end # distance constraint number 168 &rst iat = 21, 21, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.035, r2 = 3.335, r3 = 3.535, r4 = 5.535, rk2 =10.000, rk3 =10.000, &end # distance constraint number 169 &rst iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H3''', r1 = 0.050, r2 = 2.750, r3 = 2.950, r4 = 4.950, rk2 =10.000, rk3 =10.000, &end # distance constraint number 170 &rst iat = 331 , 294, r1 = 0.090, r2 = 4.390, r3 = 4.990, r4 = 6.990, rk2 =10.000, rk3 =10.000, &end # distance constraint number 171 &rst iat = 25, 23, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 0.015, r2 = 4.215, r3 = 4.415, r4 = 6.415, rk2 =2.000, rk3 =2.000, &end # distance constraint number 172 &rst iat = 25, 25, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.055, r2 = 4.955, r3 = 5.155, r4 = 7.155, rk2 =2.000, rk3 =2.000, &end # distance constraint number 173 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.055, r2 = 3.855, r3 = 4.055, r4 = 6.055, rk2 =10.000, rk3 =10.000, &end # distance constraint number 174 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.085, r2 = 3.785, r3 = 3.985, r4 = 5.985, rk2 =10.000, rk3 =10.000, &end # distance constraint number 175 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.090, r2 = 4.090, r3 = 4.490, r4 = 6.490, rk2 =10.000, rk3 =10.000, &end # distance constraint number 176 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.090, r2 = 4.090, r3 = 4.490, r4 = 6.490, rk2 =10.000, rk3 =10.000, &end
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