NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
476165 | 1kr8 | 5282 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
################################################################################ # # NOE distances # converted by mardi2amber (atomnumbers (iat=...) are in fact residue numbers # but SANDER 6.0 seems to be happy with the atomnames) # # distance constraint number 1 &rst iat = 1, 1, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1', r1 = 1.306, r2 = 1.806, r3 = 3.161, r4 = 3.661, rk2 =32.000, rk3 =32.000, &end # distance constraint number 2 &rst iat = 1, 1, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2', r1 = 1.082, r2 = 1.582, r3 = 2.769, r4 = 3.269, rk2 =32.000, rk3 =32.000, &end # distance constraint number 3 &rst iat = 1, 1, iresid = 1, atnam(1)='H1''',atnam(2)='H3''', r1 = 2.127, r2 = 2.627, r3 = 4.598, r4 = 5.098, rk2 =32.000, rk3 =32.000, &end # distance constraint number 4 &rst iat = 1, 1, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 2.243, r2 = 2.743, r3 = 4.800, r4 = 5.300, rk2 =32.000, rk3 =32.000, &end # distance constraint number 5 &rst iat = 1, 2, iresid = 1, atnam(1)='H1''',atnam(2)='H5', r1 = 3.213, r2 = 3.713, r3 = 6.499, r4 = 6.999, rk2 =32.000, rk3 =32.000, &end # distance constraint number 6 &rst iat = 1, 1, iresid = 1, atnam(1)='H3''',atnam(2)='H2''1', r1 = 1.240, r2 = 1.740, r3 = 3.045, r4 = 3.545, rk2 =32.000, rk3 =32.000, &end # distance constraint number 7 &rst iat = 1, 1, iresid = 1, atnam(1)='H3''',atnam(2)='H2''2', r1 = 1.473, r2 = 1.973, r3 = 3.454, r4 = 3.954, rk2 =32.000, rk3 =32.000, &end # distance constraint number 8 &rst iat = 1, 1, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 2.190, r2 = 2.690, r3 = 4.708, r4 = 5.208, rk2 =32.000, rk3 =32.000, &end # distance constraint number 9 &rst iat = 1, 1, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 1.271, r2 = 1.771, r3 = 3.100, r4 = 3.600, rk2 =32.000, rk3 =32.000, &end # distance constraint number 10 &rst iat = 1, 1, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 1.962, r2 = 2.462, r3 = 4.309, r4 = 4.809, rk2 =32.000, rk3 =32.000, &end # distance constraint number 11 &rst iat = 1, 1, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 2.757, r2 = 3.257, r3 = 5.700, r4 = 6.200, rk2 =32.000, rk3 =32.000, &end # distance constraint number 12 &rst iat = 1, 1, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 4.617, r2 = 5.117, r3 = 8.954, r4 = 9.454, rk2 =32.000, rk3 =32.000, &end # distance constraint number 13 &rst iat = 1, 2, iresid = 1, atnam(1)='H8',atnam(2)='H5', r1 = 2.490, r2 = 2.990, r3 = 5.233, r4 = 5.733, rk2 =32.000, rk3 =32.000, &end # distance constraint number 14 &rst iat = 1, 2, iresid = 1, atnam(1)='H8',atnam(2)='H6', r1 = 2.973, r2 = 3.473, r3 = 6.078, r4 = 6.578, rk2 =32.000, rk3 =32.000, &end # distance constraint number 15 &rst iat = 2, 2, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1', r1 = 1.402, r2 = 1.902, r3 = 3.328, r4 = 3.828, rk2 =32.000, rk3 =32.000, &end # distance constraint number 16 &rst iat = 2, 2, iresid = 1, atnam(1)='H1''',atnam(2)='H3''', r1 = 2.491, r2 = 2.991, r3 = 5.234, r4 = 5.734, rk2 =32.000, rk3 =32.000, &end # distance constraint number 17 &rst iat = 2, 2, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 1.889, r2 = 2.389, r3 = 4.180, r4 = 4.680, rk2 =32.000, rk3 =32.000, &end # distance constraint number 18 &rst iat = 2, 3, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 2.492, r2 = 2.992, r3 = 5.236, r4 = 5.736, rk2 =32.000, rk3 =32.000, &end # distance constraint number 19 &rst iat = 2, 2, iresid = 1, atnam(1)='H2''2',atnam(2)='H2''1', r1 = 0.900, r2 = 1.400, r3 = 2.450, r4 = 2.950, rk2 =32.000, rk3 =32.000, &end # distance constraint number 20 &rst iat = 2, 2, iresid = 1, atnam(1)='H3''',atnam(2)='H2''1', r1 = 1.582, r2 = 2.082, r3 = 3.644, r4 = 4.144, rk2 =32.000, rk3 =32.000, &end # distance constraint number 21 &rst iat = 2, 2, iresid = 1, atnam(1)='H3''',atnam(2)='H2''2', r1 = 1.502, r2 = 2.002, r3 = 3.504, r4 = 4.004, rk2 =32.000, rk3 =32.000, &end # distance constraint number 22 &rst iat = 2, 1, iresid = 1, atnam(1)='H5',atnam(2)='H2''1', r1 = 1.952, r2 = 2.452, r3 = 4.290, r4 = 4.790, rk2 =32.000, rk3 =32.000, &end # distance constraint number 23 &rst iat = 2, 1, iresid = 1, atnam(1)='H5',atnam(2)='H2''2', r1 = 2.181, r2 = 2.681, r3 = 4.692, r4 = 5.192, rk2 =32.000, rk3 =32.000, &end # distance constraint number 24 &rst iat = 2, 1, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 2.079, r2 = 2.579, r3 = 4.513, r4 = 5.013, rk2 =32.000, rk3 =32.000, &end # distance constraint number 25 &rst iat = 2, 1, iresid = 1, atnam(1)='H6',atnam(2)='H2''1', r1 = 1.675, r2 = 2.175, r3 = 3.805, r4 = 4.305, rk2 =32.000, rk3 =32.000, &end # distance constraint number 26 &rst iat = 2, 1, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 1.270, r2 = 1.770, r3 = 3.097, r4 = 3.597, rk2 =32.000, rk3 =32.000, &end # distance constraint number 27 &rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 2.115, r2 = 2.615, r3 = 4.576, r4 = 5.076, rk2 =32.000, rk3 =32.000, &end # distance constraint number 28 &rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H2''1', r1 = 1.314, r2 = 1.814, r3 = 3.175, r4 = 3.675, rk2 =32.000, rk3 =32.000, &end # distance constraint number 29 &rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 1.594, r2 = 2.094, r3 = 3.664, r4 = 4.164, rk2 =32.000, rk3 =32.000, &end # distance constraint number 30 &rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H3''', r1 = 2.317, r2 = 2.817, r3 = 4.930, r4 = 5.430, rk2 =32.000, rk3 =32.000, &end # distance constraint number 31 &rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 3.045, r2 = 3.545, r3 = 6.204, r4 = 6.704, rk2 =32.000, rk3 =32.000, &end # distance constraint number 32 &rst iat = 2, 2, iresid = 1, atnam(1)='H6',atnam(2)='H5', r1 = 0.892, r2 = 1.392, r3 = 2.436, r4 = 2.936, rk2 =32.000, rk3 =32.000, &end # distance constraint number 33 &rst iat = 3, 3, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1', r1 = 1.560, r2 = 2.060, r3 = 3.605, r4 = 4.105, rk2 =32.000, rk3 =32.000, &end # distance constraint number 34 &rst iat = 3, 3, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2', r1 = 1.276, r2 = 1.776, r3 = 3.107, r4 = 3.607, rk2 =32.000, rk3 =32.000, &end # distance constraint number 35 &rst iat = 3, 3, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 2.304, r2 = 2.804, r3 = 4.907, r4 = 5.407, rk2 =32.000, rk3 =32.000, &end # distance constraint number 36 &rst iat = 3, 3, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 1.734, r2 = 2.234, r3 = 3.909, r4 = 4.409, rk2 =32.000, rk3 =32.000, &end # distance constraint number 37 &rst iat = 3, 3, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1', r1 = 2.138, r2 = 2.638, r3 = 4.617, r4 = 5.117, rk2 =32.000, rk3 =32.000, &end # distance constraint number 38 &rst iat = 3, 3, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2', r1 = 2.475, r2 = 2.975, r3 = 5.206, r4 = 5.706, rk2 =32.000, rk3 =32.000, &end # distance constraint number 39 &rst iat = 3, 2, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 3.343, r2 = 3.843, r3 = 6.725, r4 = 7.225, rk2 =32.000, rk3 =32.000, &end # distance constraint number 40 &rst iat = 3, 2, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 1.982, r2 = 2.482, r3 = 4.344, r4 = 4.844, rk2 =32.000, rk3 =32.000, &end # distance constraint number 41 &rst iat = 3, 2, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 1.646, r2 = 2.146, r3 = 3.756, r4 = 4.256, rk2 =32.000, rk3 =32.000, &end # distance constraint number 42 &rst iat = 3, 2, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 2.892, r2 = 3.392, r3 = 5.936, r4 = 6.436, rk2 =32.000, rk3 =32.000, &end # distance constraint number 43 &rst iat = 3, 2, iresid = 1, atnam(1)='H8',atnam(2)='H6', r1 = 2.784, r2 = 3.284, r3 = 5.746, r4 = 6.246, rk2 =32.000, rk3 =32.000, &end # distance constraint number 44 &rst iat = 3, 3, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 2.317, r2 = 2.817, r3 = 4.929, r4 = 5.429, rk2 =32.000, rk3 =32.000, &end # distance constraint number 45 &rst iat = 3, 3, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 1.390, r2 = 1.890, r3 = 3.308, r4 = 3.808, rk2 =32.000, rk3 =32.000, &end # distance constraint number 46 &rst iat = 3, 3, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 1.793, r2 = 2.293, r3 = 4.012, r4 = 4.512, rk2 =32.000, rk3 =32.000, &end # distance constraint number 47 &rst iat = 3, 3, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 2.510, r2 = 3.010, r3 = 5.268, r4 = 5.768, rk2 =32.000, rk3 =32.000, &end # distance constraint number 48 &rst iat = 3, 3, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 3.976, r2 = 4.476, r3 = 7.833, r4 = 8.333, rk2 =32.000, rk3 =32.000, &end # distance constraint number 49 &rst iat = 4, 4, iresid = 1, atnam(1)='H1''',atnam(2)='H3''', r1 = 2.994, r2 = 3.494, r3 = 6.114, r4 = 6.614, rk2 =32.000, rk3 =32.000, &end # distance constraint number 50 &rst iat = 4, 4, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 1.502, r2 = 2.002, r3 = 3.503, r4 = 4.003, rk2 =32.000, rk3 =32.000, &end # distance constraint number 51 &rst iat = 4, 4, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 1.581, r2 = 2.081, r3 = 3.641, r4 = 4.141, rk2 =32.000, rk3 =32.000, &end # distance constraint number 52 &rst iat = 4, 3, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 1.714, r2 = 2.214, r3 = 3.875, r4 = 4.375, rk2 =32.000, rk3 =32.000, &end # distance constraint number 53 &rst iat = 4, 3, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 2.232, r2 = 2.732, r3 = 4.781, r4 = 5.281, rk2 =32.000, rk3 =32.000, &end # distance constraint number 54 &rst iat = 4, 3, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 1.781, r2 = 2.281, r3 = 3.992, r4 = 4.492, rk2 =32.000, rk3 =32.000, &end # distance constraint number 55 &rst iat = 4, 3, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 2.951, r2 = 3.451, r3 = 6.039, r4 = 6.539, rk2 =32.000, rk3 =32.000, &end # distance constraint number 56 &rst iat = 4, 3, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 4.867, r2 = 5.367, r3 = 9.393, r4 = 9.893, rk2 =32.000, rk3 =32.000, &end # distance constraint number 57 &rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 2.047, r2 = 2.547, r3 = 4.458, r4 = 4.958, rk2 =32.000, rk3 =32.000, &end # distance constraint number 58 &rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H2''1', r1 = 1.268, r2 = 1.768, r3 = 3.094, r4 = 3.594, rk2 =32.000, rk3 =32.000, &end # distance constraint number 59 &rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H2''2', r1 = 1.662, r2 = 2.162, r3 = 3.784, r4 = 4.284, rk2 =32.000, rk3 =32.000, &end # distance constraint number 60 &rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 2.674, r2 = 3.174, r3 = 5.554, r4 = 6.054, rk2 =32.000, rk3 =32.000, &end # distance constraint number 61 &rst iat = 4, 4, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 3.599, r2 = 4.099, r3 = 7.173, r4 = 7.673, rk2 =32.000, rk3 =32.000, &end # distance constraint number 62 &rst iat = 5, 5, iresid = 1, atnam(1)='H1''',atnam(2)='H3''', r1 = 2.737, r2 = 3.237, r3 = 5.665, r4 = 6.165, rk2 =32.000, rk3 =32.000, &end # distance constraint number 63 &rst iat = 5, 5, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 1.580, r2 = 2.080, r3 = 3.640, r4 = 4.140, rk2 =32.000, rk3 =32.000, &end # distance constraint number 64 &rst iat = 5, 6, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.395, r2 = 2.895, r3 = 5.067, r4 = 5.567, rk2 =32.000, rk3 =32.000, &end # distance constraint number 65 &rst iat = 5, 5, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 1.508, r2 = 2.008, r3 = 3.514, r4 = 4.014, rk2 =32.000, rk3 =32.000, &end # distance constraint number 66 &rst iat = 5, 4, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 2.874, r2 = 3.374, r3 = 5.904, r4 = 6.404, rk2 =32.000, rk3 =32.000, &end # distance constraint number 67 &rst iat = 5, 4, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 2.981, r2 = 3.481, r3 = 6.092, r4 = 6.592, rk2 =32.000, rk3 =32.000, &end # distance constraint number 68 &rst iat = 6, 6, iresid = 1, atnam(1)='H1''',atnam(2)='H3''', r1 = 2.634, r2 = 3.134, r3 = 5.485, r4 = 5.985, rk2 =32.000, rk3 =32.000, &end # distance constraint number 69 &rst iat = 6, 6, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 2.017, r2 = 2.517, r3 = 4.405, r4 = 4.905, rk2 =32.000, rk3 =32.000, &end # distance constraint number 70 &rst iat = 6, 6, iresid = 1, atnam(1)='H3''',atnam(2)='H4''', r1 = 1.831, r2 = 2.331, r3 = 4.080, r4 = 4.580, rk2 =32.000, rk3 =32.000, &end # distance constraint number 71 &rst iat = 6, 6, iresid = 1, atnam(1)='H8',atnam(2)='H1''', r1 = 2.338, r2 = 2.838, r3 = 4.966, r4 = 5.466, rk2 =32.000, rk3 =32.000, &end # distance constraint number 72 &rst iat = 6, 6, iresid = 1, atnam(1)='H8',atnam(2)='H3''', r1 = 2.466, r2 = 2.966, r3 = 5.191, r4 = 5.691, rk2 =32.000, rk3 =32.000, &end # distance constraint number 73 &rst iat = 6, 6, iresid = 1, atnam(1)='H8',atnam(2)='H4''', r1 = 3.755, r2 = 4.255, r3 = 7.447, r4 = 7.947, rk2 =32.000, rk3 =32.000, &end # distance constraint number 74 &rst iat = 6, 7, iresid = 1, atnam(1)='H8',atnam(2)='H5', r1 = 2.654, r2 = 3.154, r3 = 5.519, r4 = 6.019, rk2 =32.000, rk3 =32.000, &end # distance constraint number 75 &rst iat = 6, 7, iresid = 1, atnam(1)='H8',atnam(2)='H6', r1 = 3.058, r2 = 3.558, r3 = 6.227, r4 = 6.727, rk2 =32.000, rk3 =32.000, &end # distance constraint number 76 &rst iat = 7, 6, iresid = 1, atnam(1)='H1''',atnam(2)='H1''', r1 = 2.276, r2 = 2.776, r3 = 4.858, r4 = 5.358, rk2 =32.000, rk3 =32.000, &end # distance constraint number 77 &rst iat = 7, 7, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1', r1 = 1.300, r2 = 1.800, r3 = 3.150, r4 = 3.650, rk2 =32.000, rk3 =32.000, &end # distance constraint number 78 &rst iat = 7, 7, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2', r1 = 1.104, r2 = 1.604, r3 = 2.807, r4 = 3.307, rk2 =32.000, rk3 =32.000, &end # distance constraint number 79 &rst iat = 7, 7, iresid = 1, atnam(1)='H1''',atnam(2)='H3''', r1 = 1.716, r2 = 2.216, r3 = 3.878, r4 = 4.378, rk2 =32.000, rk3 =32.000, &end # distance constraint number 80 &rst iat = 7, 7, iresid = 1, atnam(1)='H1''',atnam(2)='H4''', r1 = 2.101, r2 = 2.601, r3 = 4.552, r4 = 5.052, rk2 =32.000, rk3 =32.000, &end # distance constraint number 81 &rst iat = 7, 7, iresid = 1, atnam(1)='H3''',atnam(2)='H2''1', r1 = 1.023, r2 = 1.523, r3 = 2.666, r4 = 3.166, rk2 =32.000, rk3 =32.000, &end # distance constraint number 82 &rst iat = 7, 7, iresid = 1, atnam(1)='H3''',atnam(2)='H2''2', r1 = 1.133, r2 = 1.633, r3 = 2.858, r4 = 3.358, rk2 =32.000, rk3 =32.000, &end # distance constraint number 83 &rst iat = 7, 6, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 1.756, r2 = 2.256, r3 = 3.948, r4 = 4.448, rk2 =32.000, rk3 =32.000, &end # distance constraint number 84 &rst iat = 7, 7, iresid = 1, atnam(1)='H6',atnam(2)='H1''', r1 = 2.039, r2 = 2.539, r3 = 4.443, r4 = 4.943, rk2 =32.000, rk3 =32.000, &end # distance constraint number 85 &rst iat = 7, 7, iresid = 1, atnam(1)='H6',atnam(2)='H2''1', r1 = 1.620, r2 = 2.120, r3 = 3.711, r4 = 4.211, rk2 =32.000, rk3 =32.000, &end # distance constraint number 86 &rst iat = 7, 7, iresid = 1, atnam(1)='H6',atnam(2)='H2''2', r1 = 2.263, r2 = 2.763, r3 = 4.836, r4 = 5.336, rk2 =32.000, rk3 =32.000, &end # distance constraint number 87 &rst iat = 7, 7, iresid = 1, atnam(1)='H6',atnam(2)='H3''', r1 = 2.079, r2 = 2.579, r3 = 4.514, r4 = 5.014, rk2 =32.000, rk3 =32.000, &end # distance constraint number 88 &rst iat = 7, 7, iresid = 1, atnam(1)='H6',atnam(2)='H4''', r1 = 3.329, r2 = 3.829, r3 = 6.700, r4 = 7.200, rk2 =32.000, rk3 =32.000, &end # distance constraint number 89 &rst iat = 7, 7, iresid = 1, atnam(1)='H6',atnam(2)='H5', r1 = 0.903, r2 = 1.403, r3 = 2.455, r4 = 2.955, rk2 =32.000, rk3 =32.000, &end # end of mardi2amber output
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