NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
13411 | 1uqc | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# sequence: d(CACGTG)2 # distance constraint number 1 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.048, r2 = 2.448, r3 = 2.646, r4 = 4.646, rk2 =10.000, rk3 =10.000, &end # distance constraint number 2 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.009, r2 = 2.509, r3 = 2.724, r4 = 4.724, rk2 =10.000, rk3 =10.000, &end # distance constraint number 3 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.098, r2 = 2.598, r3 = 2.855, r4 = 4.855, rk2 =10.000, rk3 =10.000, &end # distance constraint number 4 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.012, r2 = 3.312, r3 = 3.661, r4 = 5.661, rk2 =10.000, rk3 =10.000, &end # distance constraint number 5 &rst iat = 4, 4, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.070, r2 = 3.070, r3 = 3.490, r4 = 5.490, rk2 =10.000, rk3 =10.000, &end # distance constraint number 6 &rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 0.014, r2 = 3.914, r3 = 4.649, r4 = 6.649, rk2 =7.000, rk3 =7.000, &end # distance constraint number 7 &rst iat = 4, 4, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.069, r2 = 2.569, r3 = 2.764, r4 = 4.764, rk2 =10.000, rk3 =10.000, &end # distance constraint number 8 &rst iat = 4, 4, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.049, r2 = 3.749, r3 = 3.901, r4 = 5.901, rk2 =10.000, rk3 =10.000, &end # distance constraint number 9 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.019, r2 = 2.719, r3 = 3.225, r4 = 5.225, rk2 =10.000, rk3 =10.000, &end # distance constraint number 10 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.048, r2 = 2.248, r3 = 2.348, r4 = 4.348, rk2 =10.000, rk3 =10.000, &end # distance constraint number 11 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.096, r2 = 2.296, r3 = 2.410, r4 = 4.410, rk2 =10.000, rk3 =10.000, &end # distance constraint number 12 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.074, r2 = 2.374, r3 = 2.506, r4 = 4.506, rk2 =10.000, rk3 =10.000, &end # distance constraint number 13 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.088, r2 = 2.788, r3 = 3.395, r4 = 5.395, rk2 =10.000, rk3 =10.000, &end # distance constraint number 14 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.027, r2 = 2.527, r3 = 2.716, r4 = 4.716, rk2 =10.000, rk3 =10.000, &end # distance constraint number 15 &rst iat = 6, 6, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.017, r2 = 2.717, r3 = 2.907, r4 = 4.907, rk2 =10.000, rk3 =10.000, &end # distance constraint number 16 &rst iat = 6, 4, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 0.026, r2 = 2.626, r3 = 2.967, r4 = 4.967, rk2 =10.000, rk3 =10.000, &end # distance constraint number 17 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.070, r2 = 2.170, r3 = 2.274, r4 = 4.274, rk2 =10.000, rk3 =10.000, &end # distance constraint number 18 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.076, r2 = 2.376, r3 = 2.524, r4 = 4.524, rk2 =10.000, rk3 =10.000, &end # distance constraint number 19 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.069, r2 = 2.369, r3 = 2.584, r4 = 4.584, rk2 =10.000, rk3 =10.000, &end # distance constraint number 20 &rst iat = 8, 8, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.025, r2 = 3.425, r3 = 3.625, r4 = 5.625, rk2 =10.000, rk3 =10.000, &end # distance constraint number 21 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.035, r2 = 2.635, r3 = 3.358, r4 = 5.358, rk2 =10.000, rk3 =10.000, &end # distance constraint number 22 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.080, r2 = 2.180, r3 = 2.380, r4 = 4.380, rk2 =10.000, rk3 =10.000, &end # distance constraint number 23 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.075, r2 = 2.675, r3 = 3.165, r4 = 5.165, rk2 =10.000, rk3 =10.000, &end # distance constraint number 24 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.036, r2 = 2.436, r3 = 2.614, r4 = 4.614, rk2 =10.000, rk3 =10.000, &end # distance constraint number 25 &rst iat = 10, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.083, r2 = 2.683, r3 = 2.912, r4 = 4.912, rk2 =10.000, rk3 =10.000, &end # distance constraint number 26 &rst iat = 10, 8, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 0.013, r2 = 2.713, r3 = 2.907, r4 = 4.907, rk2 =10.000, rk3 =10.000, &end # distance constraint number 27 # distance constraint number 28 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.062, r2 = 2.162, r3 = 2.262, r4 = 4.262, rk2 =10.000, rk3 =10.000, &end # distance constraint number 29 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.053, r2 = 2.353, r3 = 2.507, r4 = 4.507, rk2 =10.000, rk3 =10.000, &end # distance constraint number 30 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.023, r2 = 2.323, r3 = 2.514, r4 = 4.514, rk2 =10.000, rk3 =10.000, &end # distance constraint number 31 &rst iat = 12, 12, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.049, r2 = 3.049, r3 = 3.398, r4 = 5.398, rk2 =10.000, rk3 =10.000, &end # distance constraint number 32 &rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.073, r2 = 2.873, r3 = 3.107, r4 = 5.107, rk2 =10.000, rk3 =10.000, &end # distance constraint number 33 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.096, r2 = 2.996, r3 = 3.858, r4 = 5.858, rk2 =10.000, rk3 =10.000, &end # distance constraint number 34 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.062, r2 = 2.462, r3 = 2.704, r4 = 4.704, rk2 =10.000, rk3 =10.000, &end # distance constraint number 35 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.027, r2 = 2.327, r3 = 2.489, r4 = 4.489, rk2 =10.000, rk3 =10.000, &end # distance constraint number 36 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.025, r2 = 2.725, r3 = 3.198, r4 = 5.198, rk2 =10.000, rk3 =10.000, &end # distance constraint number 37 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.048, r2 = 2.448, r3 = 2.646, r4 = 4.646, rk2 =10.000, rk3 =10.000, &end # distance constraint number 38 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.009, r2 = 2.509, r3 = 2.724, r4 = 4.724, rk2 =10.000, rk3 =10.000, &end # distance constraint number 39 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.098, r2 = 2.598, r3 = 2.855, r4 = 4.855, rk2 =10.000, rk3 =10.000, &end # distance constraint number 40 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.012, r2 = 3.312, r3 = 3.661, r4 = 5.661, rk2 =10.000, rk3 =10.000, &end # distance constraint number 41 &rst iat = 17, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.070, r2 = 3.070, r3 = 3.490, r4 = 5.490, rk2 =10.000, rk3 =10.000, &end # distance constraint number 42 &rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 0.016, r2 = 3.916, r3 = 4.644, r4 = 6.644, rk2 =7.000, rk3 =7.000, &end # distance constraint number 43 &rst iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.069, r2 = 2.569, r3 = 2.764, r4 = 4.764, rk2 =10.000, rk3 =10.000, &end # distance constraint number 44 &rst iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.049, r2 = 3.749, r3 = 3.901, r4 = 5.901, rk2 =10.000, rk3 =10.000, &end # distance constraint number 45 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.019, r2 = 2.719, r3 = 3.225, r4 = 5.225, rk2 =10.000, rk3 =10.000, &end # distance constraint number 46 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.048, r2 = 2.248, r3 = 2.348, r4 = 4.348, rk2 =10.000, rk3 =10.000, &end # distance constraint number 47 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.096, r2 = 2.296, r3 = 2.410, r4 = 4.410, rk2 =10.000, rk3 =10.000, &end # distance constraint number 48 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.074, r2 = 2.374, r3 = 2.506, r4 = 4.506, rk2 =10.000, rk3 =10.000, &end # distance constraint number 49 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.088, r2 = 2.788, r3 = 3.395, r4 = 5.395, rk2 =10.000, rk3 =10.000, &end # distance constraint number 50 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.027, r2 = 2.527, r3 = 2.716, r4 = 4.716, rk2 =10.000, rk3 =10.000, &end # distance constraint number 51 &rst iat = 19, 19, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.017, r2 = 2.717, r3 = 2.907, r4 = 4.907, rk2 =10.000, rk3 =10.000, &end # distance constraint number 52 &rst iat = 19, 17, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 0.025, r2 = 2.625, r3 = 2.972, r4 = 4.972, rk2 =10.000, rk3 =10.000, &end # distance constraint number 53 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.070, r2 = 2.170, r3 = 2.274, r4 = 4.274, rk2 =10.000, rk3 =10.000, &end # distance constraint number 54 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.076, r2 = 2.376, r3 = 2.524, r4 = 4.524, rk2 =10.000, rk3 =10.000, &end # distance constraint number 55 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.069, r2 = 2.369, r3 = 2.584, r4 = 4.584, rk2 =10.000, rk3 =10.000, &end # distance constraint number 56 &rst iat = 21, 21, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.025, r2 = 3.425, r3 = 3.625, r4 = 5.625, rk2 =10.000, rk3 =10.000, &end # distance constraint number 57 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.035, r2 = 2.635, r3 = 3.358, r4 = 5.358, rk2 =10.000, rk3 =10.000, &end # distance constraint number 58 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.080, r2 = 2.180, r3 = 2.380, r4 = 4.380, rk2 =10.000, rk3 =10.000, &end # distance constraint number 59 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.075, r2 = 2.675, r3 = 3.165, r4 = 5.165, rk2 =10.000, rk3 =10.000, &end # distance constraint number 60 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.036, r2 = 2.436, r3 = 2.614, r4 = 4.614, rk2 =10.000, rk3 =10.000, &end # distance constraint number 61 &rst iat = 23, 23, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.083, r2 = 2.683, r3 = 2.912, r4 = 4.912, rk2 =10.000, rk3 =10.000, &end # distance constraint number 62 &rst iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 0.013, r2 = 2.713, r3 = 2.907, r4 = 4.907, rk2 =10.000, rk3 =10.000, &end # distance constraint number 63 # distance constraint number 64 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H6', r1 = 0.062, r2 = 2.162, r3 = 2.262, r4 = 4.262, rk2 =10.000, rk3 =10.000, &end # distance constraint number 65 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.053, r2 = 2.353, r3 = 2.507, r4 = 4.507, rk2 =10.000, rk3 =10.000, &end # distance constraint number 66 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.023, r2 = 2.323, r3 = 2.514, r4 = 4.514, rk2 =10.000, rk3 =10.000, &end # distance constraint number 67 &rst iat = 25, 25, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.049, r2 = 3.049, r3 = 3.398, r4 = 5.398, rk2 =10.000, rk3 =10.000, &end # distance constraint number 68 &rst iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.073, r2 = 2.873, r3 = 3.107, r4 = 5.107, rk2 =10.000, rk3 =10.000, &end # distance constraint number 69 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.096, r2 = 2.996, r3 = 3.858, r4 = 5.858, rk2 =10.000, rk3 =10.000, &end # distance constraint number 70 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''', r1 = 0.062, r2 = 2.462, r3 = 2.704, r4 = 4.704, rk2 =10.000, rk3 =10.000, &end # distance constraint number 71 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''', r1 = 0.027, r2 = 2.327, r3 = 2.489, r4 = 4.489, rk2 =10.000, rk3 =10.000, &end # distance constraint number 72 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.025, r2 = 2.725, r3 = 3.198, r4 = 5.198, rk2 =10.000, rk3 =10.000, &end # distance constraint number 73 &rst iat = 2, 2, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.070, r2 = 3.170, r3 = 3.315, r4 = 5.315, rk2 =10.000, rk3 =10.000, &end # distance constraint number 74 &rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.062, r2 = 3.262, r3 = 3.362, r4 = 5.362, rk2 =10.000, rk3 =10.000, &end # distance constraint number 75 &rst iat = 2, 2, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.035, r2 = 2.635, r3 = 2.835, r4 = 4.835, rk2 =10.000, rk3 =10.000, &end # distance constraint number 76 &rst iat = 2, 2, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.004, r2 = 3.604, r3 = 4.116, r4 = 6.116, rk2 =7.000, rk3 =7.000, &end # distance constraint number 77 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.059, r2 = 3.559, r3 = 3.896, r4 = 5.896, rk2 =10.000, rk3 =10.000, &end # distance constraint number 78 &rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.031, r2 = 3.631, r3 = 3.934, r4 = 5.934, rk2 =7.000, rk3 =7.000, &end # distance constraint number 79 &rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 0.098, r2 = 3.298, r3 = 3.407, r4 = 5.407, rk2 =10.000, rk3 =10.000, &end # distance constraint number 80 &rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.034, r2 = 3.634, r3 = 3.851, r4 = 5.851, rk2 =10.000, rk3 =10.000, &end # distance constraint number 81 &rst iat = 4, 4, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 0.045, r2 = 3.445, r3 = 3.645, r4 = 5.645, rk2 =10.000, rk3 =10.000, &end # distance constraint number 82 &rst iat = 4, 4, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.085, r2 = 3.585, r3 = 3.715, r4 = 5.715, rk2 =10.000, rk3 =10.000, &end # distance constraint number 83 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.037, r2 = 3.937, r3 = 4.153, r4 = 6.153, rk2 =7.000, rk3 =7.000, &end # distance constraint number 84 &rst iat = 4, 4, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.085, r2 = 4.185, r3 = 5.105, r4 = 7.105, rk2 =5.000, rk3 =5.000, &end # distance constraint number 85 &rst iat = 6, 4, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.041, r2 = 3.641, r3 = 4.069, r4 = 6.069, rk2 =7.000, rk3 =7.000, &end # distance constraint number 86 &rst iat = 6, 4, iresid = 1, atnam(1)='H6',atnam(2)='H2''1', r1 = 0.067, r2 = 3.367, r3 = 3.743, r4 = 5.743, rk2 =10.000, rk3 =10.000, &end # distance constraint number 87 &rst iat = 6, 6, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.034, r2 = 3.834, r3 = 5.231, r4 = 7.231, rk2 =5.000, rk3 =5.000, &end # distance constraint number 88 &rst iat = 6, 6, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.075, r2 = 3.675, r3 = 3.915, r4 = 5.915, rk2 =7.000, rk3 =7.000, &end # distance constraint number 89 # distance constraint number 90 # distance constraint number 91 &rst iat = 6, 4, iresid = 1, atnam(1)='H5',atnam(2)='H2''2', r1 = 0.049, r2 = 3.549, r3 = 3.816, r4 = 5.816, rk2 =7.000, rk3 =7.000, &end # distance constraint number 92 &rst iat = 6, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.010, r2 = 2.410, r3 = 2.610, r4 = 4.610, rk2 =10.000, rk3 =10.000, &end # distance constraint number 93 &rst iat = 6, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.050, r2 = 3.450, r3 = 3.635, r4 = 5.635, rk2 =10.000, rk3 =10.000, &end # distance constraint number 94 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.054, r2 = 3.154, r3 = 3.661, r4 = 5.661, rk2 =10.000, rk3 =10.000, &end # distance constraint number 95 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 0.006, r2 = 3.906, r3 = 6.221, r4 = 8.221, rk2 =5.000, rk3 =5.000, &end # distance constraint number 96 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.009, r2 = 3.109, r3 = 3.331, r4 = 5.331, rk2 =10.000, rk3 =10.000, &end # distance constraint number 97 &rst iat = 8, 8, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.004, r2 = 3.204, r3 = 3.316, r4 = 5.316, rk2 =10.000, rk3 =10.000, &end # distance constraint number 98 &rst iat = 8, 8, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.015, r2 = 3.415, r3 = 3.810, r4 = 5.810, rk2 =10.000, rk3 =10.000, &end # distance constraint number 99 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.051, r2 = 2.651, r3 = 4.229, r4 = 6.229, rk2 =10.000, rk3 =10.000, &end # distance constraint number 100 &rst iat = 8, 8, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.084, r2 = 2.684, r3 = 3.356, r4 = 5.356, rk2 =10.000, rk3 =10.000, &end # distance constraint number 101 &rst iat = 10, 8, iresid = 1, atnam(1)='H6',atnam(2)='H2''1', r1 = 0.054, r2 = 3.054, r3 = 3.471, r4 = 5.471, rk2 =10.000, rk3 =10.000, &end # distance constraint number 102 &rst iat = 10, 10, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.048, r2 = 4.048, r3 = 4.482, r4 = 6.482, rk2 =5.000, rk3 =5.000, &end # distance constraint number 103 &rst iat = 10, 10, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.069, r2 = 3.569, r3 = 3.866, r4 = 5.866, rk2 =10.000, rk3 =10.000, &end # distance constraint number 104 # distance constraint number 105 &rst iat = 140 , 121, r1 = 0.044, r2 = 3.644, r3 = 4.351, r4 = 6.351, rk2 =10.000, rk3 =10.000, &end # distance constraint number 106 &rst iat = 140 , 122, r1 = 0.066, r2 = 3.466, r3 = 4.234, r4 = 6.234, rk2 =10.000, rk3 =10.000, &end # distance constraint number 107 &rst iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.093, r2 = 3.593, r3 = 3.767, r4 = 5.767, rk2 =10.000, rk3 =10.000, &end # distance constraint number 108 &rst iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.010, r2 = 3.210, r3 = 3.310, r4 = 5.310, rk2 =10.000, rk3 =10.000, &end # distance constraint number 109 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.099, r2 = 2.999, r3 = 3.241, r4 = 5.241, rk2 =10.000, rk3 =10.000, &end # distance constraint number 110 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.060, r2 = 2.660, r3 = 2.860, r4 = 4.860, rk2 =10.000, rk3 =10.000, &end # distance constraint number 111 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.075, r2 = 3.375, r3 = 3.580, r4 = 5.580, rk2 =10.000, rk3 =10.000, &end # distance constraint number 112 &rst iat = 12, 12, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.018, r2 = 3.918, r3 = 4.017, r4 = 6.017, rk2 =7.000, rk3 =7.000, &end # distance constraint number 113 &rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.070, r2 = 3.770, r3 = 4.220, r4 = 6.220, rk2 =7.000, rk3 =7.000, &end # distance constraint number 114 &rst iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.071, r2 = 3.871, r3 = 4.279, r4 = 6.279, rk2 =10.000, rk3 =10.000, &end # distance constraint number 115 &rst iat = 15, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.070, r2 = 3.170, r3 = 3.315, r4 = 5.315, rk2 =10.000, rk3 =10.000, &end # distance constraint number 116 &rst iat = 15, 15, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.062, r2 = 3.262, r3 = 3.362, r4 = 5.362, rk2 =10.000, rk3 =10.000, &end # distance constraint number 117 &rst iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.035, r2 = 2.635, r3 = 2.835, r4 = 4.835, rk2 =10.000, rk3 =10.000, &end # distance constraint number 118 &rst iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.004, r2 = 3.604, r3 = 4.116, r4 = 6.116, rk2 =7.000, rk3 =7.000, &end # distance constraint number 119 &rst iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.059, r2 = 3.559, r3 = 3.896, r4 = 5.896, rk2 =10.000, rk3 =10.000, &end # distance constraint number 120 &rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 0.031, r2 = 3.631, r3 = 3.934, r4 = 5.934, rk2 =7.000, rk3 =7.000, &end # distance constraint number 121 &rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 0.098, r2 = 3.298, r3 = 3.407, r4 = 5.407, rk2 =10.000, rk3 =10.000, &end # distance constraint number 122 &rst iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.034, r2 = 3.634, r3 = 3.851, r4 = 5.851, rk2 =10.000, rk3 =10.000, &end # distance constraint number 123 &rst iat = 17, 17, iresid = 1, atnam(1)='H2',atnam(2)='H1''', r1 = 0.045, r2 = 3.445, r3 = 3.645, r4 = 5.645, rk2 =10.000, rk3 =10.000, &end # distance constraint number 124 &rst iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.085, r2 = 3.585, r3 = 3.715, r4 = 5.715, rk2 =10.000, rk3 =10.000, &end # distance constraint number 125 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.037, r2 = 3.937, r3 = 4.153, r4 = 6.153, rk2 =7.000, rk3 =7.000, &end # distance constraint number 126 &rst iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.085, r2 = 4.185, r3 = 5.105, r4 = 7.105, rk2 =5.000, rk3 =5.000, &end # distance constraint number 127 &rst iat = 19, 17, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.041, r2 = 3.641, r3 = 4.069, r4 = 6.069, rk2 =7.000, rk3 =7.000, &end # distance constraint number 128 &rst iat = 19, 17, iresid = 1, atnam(1)='H6',atnam(2)='H2''1', r1 = 0.067, r2 = 3.367, r3 = 3.743, r4 = 5.743, rk2 =10.000, rk3 =10.000, &end # distance constraint number 129 &rst iat = 19, 19, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.034, r2 = 3.834, r3 = 5.231, r4 = 7.231, rk2 =5.000, rk3 =5.000, &end # distance constraint number 130 &rst iat = 19, 19, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.075, r2 = 3.675, r3 = 3.915, r4 = 5.915, rk2 =7.000, rk3 =7.000, &end # distance constraint number 131 # distance constraint number 132 # distance constraint number 133 &rst iat = 19, 17, iresid = 1, atnam(1)='H5',atnam(2)='H2''2', r1 = 0.049, r2 = 3.549, r3 = 3.816, r4 = 5.816, rk2 =7.000, rk3 =7.000, &end # distance constraint number 134 &rst iat = 19, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 0.010, r2 = 2.410, r3 = 2.610, r4 = 4.610, rk2 =10.000, rk3 =10.000, &end # distance constraint number 135 &rst iat = 19, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.050, r2 = 3.450, r3 = 3.635, r4 = 5.635, rk2 =10.000, rk3 =10.000, &end # distance constraint number 136 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.054, r2 = 3.154, r3 = 3.661, r4 = 5.661, rk2 =10.000, rk3 =10.000, &end # distance constraint number 137 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H5', r1 = 0.006, r2 = 3.906, r3 = 6.221, r4 = 8.221, rk2 =5.000, rk3 =5.000, &end # distance constraint number 138 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.009, r2 = 3.109, r3 = 3.331, r4 = 5.331, rk2 =10.000, rk3 =10.000, &end # distance constraint number 139 &rst iat = 21, 21, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 0.004, r2 = 3.204, r3 = 3.316, r4 = 5.316, rk2 =10.000, rk3 =10.000, &end # distance constraint number 140 &rst iat = 21, 21, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.015, r2 = 3.415, r3 = 3.810, r4 = 5.810, rk2 =10.000, rk3 =10.000, &end # distance constraint number 141 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.054, r2 = 2.654, r3 = 4.216, r4 = 6.216, rk2 =10.000, rk3 =10.000, &end # distance constraint number 142 &rst iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''', r1 = 0.084, r2 = 2.684, r3 = 3.356, r4 = 5.356, rk2 =10.000, rk3 =10.000, &end # distance constraint number 143 &rst iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H2''1', r1 = 0.054, r2 = 3.054, r3 = 3.471, r4 = 5.471, rk2 =10.000, rk3 =10.000, &end # distance constraint number 144 &rst iat = 23, 23, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 0.048, r2 = 4.048, r3 = 4.482, r4 = 6.482, rk2 =5.000, rk3 =5.000, &end # distance constraint number 145 &rst iat = 23, 23, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.069, r2 = 3.569, r3 = 3.866, r4 = 5.866, rk2 =10.000, rk3 =10.000, &end # distance constraint number 146 # distance constraint number 147 &rst iat = 329 , 310, r1 = 0.044, r2 = 3.644, r3 = 4.351, r4 = 6.351, rk2 =10.000, rk3 =10.000, &end # distance constraint number 148 &rst iat = 329 , 311, r1 = 0.066, r2 = 3.466, r3 = 4.234, r4 = 6.234, rk2 =10.000, rk3 =10.000, &end # distance constraint number 149 &rst iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.093, r2 = 3.593, r3 = 3.767, r4 = 5.767, rk2 =10.000, rk3 =10.000, &end # distance constraint number 150 &rst iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H6', r1 = 0.010, r2 = 3.210, r3 = 3.310, r4 = 5.310, rk2 =10.000, rk3 =10.000, &end # distance constraint number 151 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''', r1 = 0.099, r2 = 2.999, r3 = 3.241, r4 = 5.241, rk2 =10.000, rk3 =10.000, &end # distance constraint number 152 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''', r1 = 0.060, r2 = 2.660, r3 = 2.860, r4 = 4.860, rk2 =10.000, rk3 =10.000, &end # distance constraint number 153 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H6', r1 = 0.075, r2 = 3.375, r3 = 3.580, r4 = 5.580, rk2 =10.000, rk3 =10.000, &end # distance constraint number 154 &rst iat = 25, 25, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.018, r2 = 3.918, r3 = 4.017, r4 = 6.017, rk2 =7.000, rk3 =7.000, &end # distance constraint number 155 &rst iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.070, r2 = 3.770, r3 = 4.220, r4 = 6.220, rk2 =7.000, rk3 =7.000, &end # distance constraint number 156 &rst iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H8', r1 = 0.071, r2 = 3.871, r3 = 4.279, r4 = 6.279, rk2 =10.000, rk3 =10.000, &end # distance constraint number 157 &rst iat = 4, 2, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.055, r2 = 4.155, r3 = 4.355, r4 = 6.355, rk2 =10.000, rk3 =10.000, &end # distance constraint number 158 &rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.005, r2 = 4.605, r3 = 4.805, r4 = 6.805, rk2 =7.000, rk3 =7.000, &end # distance constraint number 159 # distance constraint number 160 &rst iat = 6, 4, iresid = 1, atnam(1)='H6',atnam(2)='H3''', r1 = 0.015, r2 = 4.315, r3 = 4.515, r4 = 6.515, rk2 =10.000, rk3 =10.000, &end # distance constraint number 161 &rst iat = 6, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.080, r2 = 3.680, r3 = 3.880, r4 = 5.880, rk2 =10.000, rk3 =10.000, &end # distance constraint number 162 &rst iat = 6, 6, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.030, r2 = 4.030, r3 = 5.120, r4 = 7.120, rk2 =10.000, rk3 =10.000, &end # distance constraint number 163 &rst iat = 10, 8, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.085, r2 = 3.585, r3 = 3.785, r4 = 5.785, rk2 =10.000, rk3 =10.000, &end # distance constraint number 164 # distance constraint number 165 &rst iat = 140 , 119, r1 = 0.025, r2 = 4.025, r3 = 4.625, r4 = 6.625, rk2 =10.000, rk3 =10.000, &end # distance constraint number 166 &rst iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.070, r2 = 3.770, r3 = 4.040, r4 = 6.040, rk2 =10.000, rk3 =10.000, &end # distance constraint number 167 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.000, r2 = 3.900, r3 = 4.180, r4 = 6.180, rk2 =10.000, rk3 =10.000, &end # distance constraint number 168 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.000, r2 = 1.995, r3 = 2.195, r4 = 4.195, rk2 =10.000, rk3 =10.000, &end # distance constraint number 169 &rst iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.065, r2 = 2.565, r3 = 2.765, r4 = 4.765, rk2 =10.000, rk3 =10.000, &end # distance constraint number 170 &rst iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 0.055, r2 = 4.155, r3 = 4.355, r4 = 6.355, rk2 =10.000, rk3 =10.000, &end # distance constraint number 171 &rst iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 0.005, r2 = 4.605, r3 = 4.805, r4 = 6.805, rk2 =7.000, rk3 =7.000, &end # distance constraint number 172 # distance constraint number 173 &rst iat = 19, 17, iresid = 1, atnam(1)='H6',atnam(2)='H3''', r1 = 0.015, r2 = 4.315, r3 = 4.515, r4 = 6.515, rk2 =7.000, rk3 =7.000, &end # distance constraint number 174 &rst iat = 19, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H1''', r1 = 0.080, r2 = 3.680, r3 = 3.880, r4 = 5.880, rk2 =10.000, rk3 =10.000, &end # distance constraint number 175 &rst iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.030, r2 = 4.030, r3 = 5.130, r4 = 7.130, rk2 =10.000, rk3 =10.000, &end # distance constraint number 176 &rst iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 0.085, r2 = 3.585, r3 = 3.785, r4 = 5.785, rk2 =10.000, rk3 =10.000, &end # distance constraint number 177 # distance constraint number 178 &rst iat = 329 , 308, r1 = 0.025, r2 = 4.025, r3 = 4.625, r4 = 6.625, rk2 =10.000, rk3 =10.000, &end # distance constraint number 179 &rst iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.070, r2 = 3.770, r3 = 4.040, r4 = 6.040, rk2 =10.000, rk3 =10.000, &end # distance constraint number 180 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''', r1 = 0.000, r2 = 3.900, r3 = 4.180, r4 = 6.180, rk2 =10.000, rk3 =10.000, &end # distance constraint number 181 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H8', r1 = 0.000, r2 = 1.995, r3 = 2.195, r4 = 4.195, rk2 =10.000, rk3 =10.000, &end # distance constraint number 182 &rst iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H8', r1 = 0.065, r2 = 2.565, r3 = 2.765, r4 = 4.765, rk2 =10.000, rk3 =10.000, &end # distance constraint number 183 # distance constraint number 184
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