NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype |
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638027 |
6o7g   |
30585 | cing | 1-original | 4 | AMBER | stereochemistry | chirality |
# chirality for residue 1 atoms: CA OG HB2 HB3 &rst iat=3,8,6,7, r1=10., r2=60., r3=80., r4=130., rk2 =150., rk3=150., &end # # chirality for residue 1 atoms: N C HA CB &rst iat=1,10,4,5, &end # # chirality for residue 2 atoms: CA CG HB2 HB3 &rst iat=14,19,17,18, &end # # chirality for residue 2 atoms: CB CD1 CD2 HG &rst iat=16,21,25,20, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=12,29,15,16, &end # # chirality for residue 3 atoms: CA CG1 CG2 HB &rst iat=33,37,41,36, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=31,45,34,35, &end # # chirality for residue 4 atoms: CA CG2 OG1 HB &rst iat=49,53,57,52, &end # # chirality for residue 4 atoms: N C HA CB &rst iat=47,59,50,51, &end # # chirality for residue 6 atoms: CA CG HB2 HB3 &rst iat=81,75,79,80, &end # # chirality for residue 6 atoms: CB CD HG2 HG3 &rst iat=78,72,76,77, &end # # chirality for residue 6 atoms: CG N HD2 HD3 &rst iat=75,71,73,74, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=71,83,82,78, &end # # chirality for residue 7 atoms: CA CG2 CG1 HB &rst iat=87,91,95,90, &end # # chirality for residue 7 atoms: CB CD1 HG12 HG13 &rst iat=89,98,96,97, &end # # chirality for residue 7 atoms: N C HA CB &rst iat=85,102,88,89, &end # # chirality for residue 9 atoms: CA CG HB2 HB3 &rst iat=116,121,119,120, &end # # chirality for residue 9 atoms: N C HA CB &rst iat=114,129,117,118, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=131,139,134,135, &end # # chirality for residue 11 atoms: CA CG HB2 HB3 &rst iat=151,145,149,150, &end # # chirality for residue 11 atoms: CB CD HG2 HG3 &rst iat=148,142,146,147, &end # # chirality for residue 11 atoms: CG N HD2 HD3 &rst iat=145,141,143,144, &end # # chirality for residue 11 atoms: N C HA CB &rst iat=141,153,152,148, &end # # chirality for residue 12 atoms: CA CG HB2 HB3 &rst iat=157,162,160,161, &end # # chirality for residue 12 atoms: N C HA CB &rst iat=155,174,158,159, &end # # chirality for residue 13 atoms: CA CG1 CG2 HB &rst iat=178,182,186,181, &end # # chirality for residue 13 atoms: N C HA CB &rst iat=176,190,179,180, &end # # chirality for residue 14 atoms: CA CG HB2 HB3 &rst iat=194,199,197,198, &end # # chirality for residue 14 atoms: CB CD HG2 HG3 &rst iat=196,202,200,201, &end # # chirality for residue 14 atoms: N C HA CB &rst iat=192,205,195,196, &end # # chirality for residue 15 atoms: CA CG HB2 HB3 &rst iat=209,214,212,213, &end # # chirality for residue 15 atoms: CB CD HG2 HG3 &rst iat=211,217,215,216, &end # # chirality for residue 15 atoms: N C HA CB &rst iat=207,220,210,211, &end # # chirality for residue 16 atoms: CA CG HB2 HB3 &rst iat=224,229,227,228, &end # # chirality for residue 16 atoms: N C HA CB &rst iat=222,232,225,226, &end # # chirality for residue 17 atoms: CA CG HB2 HB3 &rst iat=236,241,239,240, &end # # chirality for residue 17 atoms: CB CD1 CD2 HG &rst iat=238,243,247,242, &end # # chirality for residue 17 atoms: N C HA CB &rst iat=234,251,237,238, &end # # chirality for residue 18 atoms: CA CG HB2 HB3 &rst iat=255,260,258,259, &end # # chirality for residue 18 atoms: CB CD1 CD2 HG &rst iat=257,262,266,261, &end # # chirality for residue 18 atoms: N C HA CB &rst iat=253,270,256,257, &end # # chirality for residue 19 atoms: CA CG2 CG1 HB &rst iat=274,278,282,277, &end # # chirality for residue 19 atoms: CB CD1 HG12 HG13 &rst iat=276,285,283,284, &end # # chirality for residue 19 atoms: N C HA CB &rst iat=272,289,275,276, &end # # chirality for residue 20 atoms: CA CG HB2 HB3 &rst iat=293,298,296,297, &end # # chirality for residue 20 atoms: CB CD HG2 HG3 &rst iat=295,301,299,300, &end # # chirality for residue 20 atoms: N C HA CB &rst iat=291,306,294,295, &end # # chirality for residue 22 atoms: CA CG HB2 HB3 &rst iat=320,325,323,324, &end # # chirality for residue 22 atoms: CB CD HG2 HG3 &rst iat=322,328,326,327, &end # # chirality for residue 22 atoms: CG NE HD2 HD3 &rst iat=325,331,329,330, &end # # chirality for residue 22 atoms: N C HA CB &rst iat=318,340,321,322, &end # # chirality for residue 23 atoms: CA CG HB2 HB3 &rst iat=344,349,347,348, &end # # chirality for residue 23 atoms: N C HA CB &rst iat=342,357,345,346, &end # # chirality for residue 25 atoms: CA CG HB2 HB3 &rst iat=371,376,374,375, &end # # chirality for residue 25 atoms: CB CD HG2 HG3 &rst iat=373,379,377,378, &end # # chirality for residue 25 atoms: N C HA CB &rst iat=369,382,372,373, &end # # chirality for residue 26 atoms: CA CG HB2 HB3 &rst iat=386,391,389,390, &end # # chirality for residue 26 atoms: CB CD HG2 HG3 &rst iat=388,394,392,393, &end # # chirality for residue 26 atoms: CG NE HD2 HD3 &rst iat=391,397,395,396, &end # # chirality for residue 26 atoms: N C HA CB &rst iat=384,406,387,388, &end # # chirality for residue 27 atoms: CA CG HB2 HB3 &rst iat=410,415,413,414, &end # # chirality for residue 27 atoms: N C HA CB &rst iat=408,430,411,412, &end # # chirality for residue 28 atoms: CA CG HB2 HB3 &rst iat=434,439,437,438, &end # # chirality for residue 28 atoms: CB SD HG2 HG3 &rst iat=436,442,440,441, &end # # chirality for residue 28 atoms: N C HA CB &rst iat=432,447,435,436, &end # # chirality for residue 30 atoms: N C HA CB &rst iat=466,474,469,470, &end # # chirality for residue 31 atoms: N C HA2 HA3 &rst iat=476,481,479,480, &end # # chirality for residue 33 atoms: CA CG HB2 HB3 &rst iat=495,500,498,499, &end # # chirality for residue 33 atoms: CB CD HG2 HG3 &rst iat=497,503,501,502, &end # # chirality for residue 33 atoms: N C HA CB &rst iat=493,506,496,497, &end # # chirality for residue 34 atoms: CA OG HB2 HB3 &rst iat=510,515,513,514, &end # # chirality for residue 34 atoms: N C HA CB &rst iat=508,517,511,512, &end # # chirality for residue 35 atoms: CA CG HB2 HB3 &rst iat=521,526,524,525, &end # # chirality for residue 35 atoms: CB CD1 CD2 HG &rst iat=523,528,532,527, &end # # chirality for residue 35 atoms: N C HA CB &rst iat=519,536,522,523, &end # # chirality for residue 36 atoms: CA CG HB2 HB3 &rst iat=540,545,543,544, &end # # chirality for residue 36 atoms: N C HA CB &rst iat=538,556,541,542, &end # # chirality for residue 37 atoms: CA CG2 OG1 HB &rst iat=560,564,568,563, &end # # chirality for residue 37 atoms: N C HA CB &rst iat=558,570,561,562, &end # # chirality for residue 38 atoms: CA CG HB2 HB3 &rst iat=574,579,577,578, &end # # chirality for residue 38 atoms: CB CD HG2 HG3 &rst iat=576,582,580,581, &end # # chirality for residue 38 atoms: N C HA CB &rst iat=572,585,575,576, &end # # chirality for residue 39 atoms: CA CG HB2 HB3 &rst iat=589,594,592,593, &end # # chirality for residue 39 atoms: N C HA CB &rst iat=587,597,590,591, &end # # chirality for residue 40 atoms: CA CG HB2 HB3 &rst iat=601,606,604,605, &end # # chirality for residue 40 atoms: N C HA CB &rst iat=599,609,602,603, &end # # chirality for residue 41 atoms: CA CG1 CG2 HB &rst iat=613,617,621,616, &end # # chirality for residue 41 atoms: N C HA CB &rst iat=611,625,614,615, &end # # chirality for residue 42 atoms: CA CG HB2 HB3 &rst iat=629,634,632,633, &end # # chirality for residue 42 atoms: CB CD HG2 HG3 &rst iat=631,637,635,636, &end # # chirality for residue 42 atoms: N C HA CB &rst iat=627,640,630,631, &end # # chirality for residue 43 atoms: CA CG HB2 HB3 &rst iat=644,649,647,648, &end # # chirality for residue 43 atoms: CB CD HG2 HG3 &rst iat=646,652,650,651, &end # # chirality for residue 43 atoms: N C HA CB &rst iat=642,657,645,646, &end # # chirality for residue 44 atoms: N C HA CB &rst iat=659,667,662,663, &end # # chirality for residue 45 atoms: N C HA CB &rst iat=669,677,672,673, &end # # chirality for residue 46 atoms: CA CG HB2 HB3 &rst iat=681,686,684,685, &end # # chirality for residue 46 atoms: N C HA CB &rst iat=679,689,682,683, &end # # chirality for residue 47 atoms: CA CG HB2 HB3 &rst iat=693,698,696,697, &end # # chirality for residue 47 atoms: CB CD HG2 HG3 &rst iat=695,701,699,700, &end # # chirality for residue 47 atoms: N C HA CB &rst iat=691,704,694,695, &end # # chirality for residue 48 atoms: N C HA2 HA3 &rst iat=706,711,709,710, &end # # chirality for residue 49 atoms: CA CG HB2 HB3 &rst iat=715,720,718,719, &end # # chirality for residue 49 atoms: N C HA CB &rst iat=713,731,716,717, &end # # chirality for residue 50 atoms: CA CG HB2 HB3 &rst iat=735,740,738,739, &end # # chirality for residue 50 atoms: N C HA CB &rst iat=733,743,736,737, &end # # chirality for residue 52 atoms: CA CG1 CG2 HB &rst iat=757,761,765,760, &end # # chirality for residue 52 atoms: N C HA CB &rst iat=755,769,758,759, &end # # chirality for residue 53 atoms: CA OG HB2 HB3 &rst iat=773,778,776,777, &end # # chirality for residue 53 atoms: N C HA CB &rst iat=771,780,774,775, &end # # chirality for residue 55 atoms: CA CG HB2 HB3 &rst iat=794,799,797,798, &end # # chirality for residue 55 atoms: CB CD HG2 HG3 &rst iat=796,802,800,801, &end # # chirality for residue 55 atoms: N C HA CB &rst iat=792,807,795,796, &end # # chirality for residue 56 atoms: CA CG HB2 HB3 &rst iat=819,813,817,818, &end # # chirality for residue 56 atoms: CB CD HG2 HG3 &rst iat=816,810,814,815, &end # # chirality for residue 56 atoms: CG N HD2 HD3 &rst iat=813,809,811,812, &end # # chirality for residue 56 atoms: N C HA CB &rst iat=809,821,820,816, &end # # chirality for residue 57 atoms: CA CG HB2 HB3 &rst iat=825,830,828,829, &end # # chirality for residue 57 atoms: N C HA CB &rst iat=823,842,826,827, &end # # chirality for residue 58 atoms: CA CG1 CG2 HB &rst iat=846,850,854,849, &end # # chirality for residue 58 atoms: N C HA CB &rst iat=844,858,847,848, &end # # chirality for residue 59 atoms: CA CG1 CG2 HB &rst iat=862,866,870,865, &end # # chirality for residue 59 atoms: N C HA CB &rst iat=860,874,863,864, &end # # chirality for residue 60 atoms: CA CG HB2 HB3 &rst iat=878,883,881,882, &end # # chirality for residue 60 atoms: CB CD HG2 HG3 &rst iat=880,886,884,885, &end # # chirality for residue 60 atoms: CD NZ HE2 HE3 &rst iat=886,892,890,891, &end # # chirality for residue 60 atoms: CG CE HD2 HD3 &rst iat=883,889,887,888, &end # # chirality for residue 60 atoms: N C HA CB &rst iat=876,896,879,880, &end # # chirality for residue 62 atoms: N C HA2 HA3 &rst iat=904,909,907,908, &end # # chirality for residue 63 atoms: N C HA2 HA3 &rst iat=911,916,914,915, &end # # chirality for residue 64 atoms: N C HA CB &rst iat=918,926,921,922, &end # # chirality for residue 66 atoms: CA CG HB2 HB3 &rst iat=956,961,959,960, &end # # chirality for residue 66 atoms: CB CD HG2 HG3 &rst iat=958,964,962,963, &end # # chirality for residue 66 atoms: CG NE HD2 HD3 &rst iat=961,967,965,966, &end # # chirality for residue 66 atoms: N C HA CB &rst iat=954,976,957,958, &end # # chirality for residue 67 atoms: CA CG HB2 HB3 &rst iat=980,985,983,984, &end # # chirality for residue 67 atoms: N C HA CB &rst iat=978,993,981,982, &end # # trans-omega constraint for residue 2 &rst iat=14,12,10,3, r1=150., r2=170., r3=190., r4=210., rk2 =150., rk3=150., &end # # trans-omega constraint for residue 3 &rst iat=33,31,29,14, &end # # trans-omega constraint for residue 4 &rst iat=49,47,45,33, &end # # trans-omega constraint for residue 5 &rst iat=63,61,59,49, &end # # trans-omega constraint for residue 6 &rst iat=81,71,69,63, &end # # trans-omega constraint for residue 7 &rst iat=87,85,83,81, &end # # trans-omega constraint for residue 8 &rst iat=106,104,102,87, &end # # trans-omega constraint for residue 9 &rst iat=116,114,112,106, &end # # trans-omega constraint for residue 10 &rst iat=133,131,129,116, &end # # trans-omega constraint for residue 11 &rst iat=151,141,139,133, &end # # trans-omega constraint for residue 12 &rst iat=157,155,153,151, &end # # trans-omega constraint for residue 13 &rst iat=178,176,174,157, &end # # trans-omega constraint for residue 14 &rst iat=194,192,190,178, &end # # trans-omega constraint for residue 15 &rst iat=209,207,205,194, &end # # trans-omega constraint for residue 16 &rst iat=224,222,220,209, &end # # trans-omega constraint for residue 17 &rst iat=236,234,232,224, &end # # trans-omega constraint for residue 18 &rst iat=255,253,251,236, &end # # trans-omega constraint for residue 19 &rst iat=274,272,270,255, &end # # trans-omega constraint for residue 20 &rst iat=293,291,289,274, &end # # trans-omega constraint for residue 21 &rst iat=310,308,306,293, &end # # trans-omega constraint for residue 22 &rst iat=320,318,316,310, &end # # trans-omega constraint for residue 23 &rst iat=344,342,340,320, &end # # trans-omega constraint for residue 24 &rst iat=361,359,357,344, &end # # trans-omega constraint for residue 25 &rst iat=371,369,367,361, &end # # trans-omega constraint for residue 26 &rst iat=386,384,382,371, &end # # trans-omega constraint for residue 27 &rst iat=410,408,406,386, &end # # trans-omega constraint for residue 28 &rst iat=434,432,430,410, &end # # trans-omega constraint for residue 29 &rst iat=451,449,447,434, &end # # trans-omega constraint for residue 30 &rst iat=468,466,464,451, &end # # trans-omega constraint for residue 31 &rst iat=478,476,474,468, &end # # trans-omega constraint for residue 32 &rst iat=485,483,481,478, &end # # trans-omega constraint for residue 33 &rst iat=495,493,491,485, &end # # trans-omega constraint for residue 34 &rst iat=510,508,506,495, &end # # trans-omega constraint for residue 35 &rst iat=521,519,517,510, &end # # trans-omega constraint for residue 36 &rst iat=540,538,536,521, &end # # trans-omega constraint for residue 37 &rst iat=560,558,556,540, &end # # trans-omega constraint for residue 38 &rst iat=574,572,570,560, &end # # trans-omega constraint for residue 39 &rst iat=589,587,585,574, &end # # trans-omega constraint for residue 40 &rst iat=601,599,597,589, &end # # trans-omega constraint for residue 41 &rst iat=613,611,609,601, &end # # trans-omega constraint for residue 42 &rst iat=629,627,625,613, &end # # trans-omega constraint for residue 43 &rst iat=644,642,640,629, &end # # trans-omega constraint for residue 44 &rst iat=661,659,657,644, &end # # trans-omega constraint for residue 45 &rst iat=671,669,667,661, &end # # trans-omega constraint for residue 46 &rst iat=681,679,677,671, &end # # trans-omega constraint for residue 47 &rst iat=693,691,689,681, &end # # trans-omega constraint for residue 48 &rst iat=708,706,704,693, &end # # trans-omega constraint for residue 49 &rst iat=715,713,711,708, &end # # trans-omega constraint for residue 50 &rst iat=735,733,731,715, &end # # trans-omega constraint for residue 51 &rst iat=747,745,743,735, &end # # trans-omega constraint for residue 52 &rst iat=757,755,753,747, &end # # trans-omega constraint for residue 53 &rst iat=773,771,769,757, &end # # trans-omega constraint for residue 54 &rst iat=784,782,780,773, &end # # trans-omega constraint for residue 55 &rst iat=794,792,790,784, &end # # trans-omega constraint for residue 56 &rst iat=819,809,807,794, &end # # trans-omega constraint for residue 57 &rst iat=825,823,821,819, &end # # trans-omega constraint for residue 58 &rst iat=846,844,842,825, &end # # trans-omega constraint for residue 59 &rst iat=862,860,858,846, &end # # trans-omega constraint for residue 60 &rst iat=878,876,874,862, &end # # trans-omega constraint for residue 63 &rst iat=913,911,909,906, &end # # trans-omega constraint for residue 64 &rst iat=920,918,916,913, &end # # trans-omega constraint for residue 65 &rst iat=936,937,926,920, &end # # trans-omega constraint for residue 66 &rst iat=956,954,938,936, &end # # trans-omega constraint for residue 67 &rst iat=980,978,976,956, &end #
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