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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580497 |
2ms1   |
25101 | cing | 1-original | 2 | AMBER | stereochemistry | chirality |
# chirality for residue 1 atoms: N C HA CB &rst iat=1,11,6,7, r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10., &end # # chirality for residue 2 atoms: CA CG2 OG1 HB &rst iat=15,19,23,18, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=13,25,16,17, &end # # chirality for residue 3 atoms: CA CG1 CG2 HB &rst iat=29,33,37,32, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=27,41,30,31, &end # # chirality for residue 4 atoms: CA CG1 CG2 HB &rst iat=45,49,53,48, &end # # chirality for residue 4 atoms: N C HA CB &rst iat=43,57,46,47, &end # # chirality for residue 5 atoms: CA OG HB2 HB3 &rst iat=61,66,64,65, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=59,68,62,63, &end # # chirality for residue 6 atoms: N C HA2 HA3 &rst iat=70,75,73,74, &end # # chirality for residue 7 atoms: CA CG HB2 HB3 &rst iat=79,84,82,83, &end # # chirality for residue 7 atoms: CB CD HG2 HG3 &rst iat=81,87,85,86, &end # # chirality for residue 7 atoms: N C HA CB &rst iat=77,92,80,81, &end # # chirality for residue 8 atoms: CA CG HB2 HB3 &rst iat=96,101,99,100, &end # # chirality for residue 8 atoms: CB CD HG2 HG3 &rst iat=98,104,102,103, &end # # chirality for residue 8 atoms: CD NZ HE2 HE3 &rst iat=104,110,108,109, &end # # chirality for residue 8 atoms: CG CE HD2 HD3 &rst iat=101,107,105,106, &end # # chirality for residue 8 atoms: N C HA CB &rst iat=94,114,97,98, &end # # chirality for residue 9 atoms: CA CG HB2 HB3 &rst iat=118,123,121,122, &end # # chirality for residue 9 atoms: CB CD HG2 HG3 &rst iat=120,126,124,125, &end # # chirality for residue 9 atoms: N C HA CB &rst iat=116,131,119,120, &end # # chirality for residue 10 atoms: CA CG HB2 HB3 &rst iat=135,140,138,139, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=133,143,136,137, &end # # chirality for residue 11 atoms: CA CG HB2 HB3 &rst iat=147,152,150,151, &end # # chirality for residue 11 atoms: CB CD HG2 HG3 &rst iat=149,155,153,154, &end # # chirality for residue 11 atoms: CG NE HD2 HD3 &rst iat=152,158,156,157, &end # # chirality for residue 11 atoms: N C HA CB &rst iat=145,167,148,149, &end # # chirality for residue 12 atoms: CA CG HB2 HB3 &rst iat=171,176,174,175, &end # # chirality for residue 12 atoms: CB CD HG2 HG3 &rst iat=173,179,177,178, &end # # chirality for residue 12 atoms: N C HA CB &rst iat=169,184,172,173, &end # # chirality for residue 13 atoms: N C HA2 HA3 &rst iat=186,191,189,190, &end # # chirality for residue 14 atoms: N C HA2 HA3 &rst iat=193,198,196,197, &end # # chirality for residue 15 atoms: CA CG HB2 HB3 &rst iat=202,207,205,206, &end # # chirality for residue 15 atoms: CB CD HG2 HG3 &rst iat=204,210,208,209, &end # # chirality for residue 15 atoms: N C HA CB &rst iat=200,213,203,204, &end # # chirality for residue 16 atoms: CA CG HB2 HB3 &rst iat=217,222,220,221, &end # # chirality for residue 16 atoms: CB CD HG2 HG3 &rst iat=219,225,223,224, &end # # chirality for residue 16 atoms: CG NE HD2 HD3 &rst iat=222,228,226,227, &end # # chirality for residue 16 atoms: N C HA CB &rst iat=215,237,218,219, &end # # chirality for residue 17 atoms: CA CG HB2 HB3 &rst iat=241,246,244,245, &end # # chirality for residue 17 atoms: CB CD HG2 HG3 &rst iat=243,249,247,248, &end # # chirality for residue 17 atoms: CG NE HD2 HD3 &rst iat=246,252,250,251, &end # # chirality for residue 17 atoms: N C HA CB &rst iat=239,261,242,243, &end # # chirality for residue 18 atoms: CA CG HB2 HB3 &rst iat=265,270,268,269, &end # # chirality for residue 18 atoms: CB CD HG2 HG3 &rst iat=267,273,271,272, &end # # chirality for residue 18 atoms: CG NE HD2 HD3 &rst iat=270,276,274,275, &end # # chirality for residue 18 atoms: N C HA CB &rst iat=263,285,266,267, &end # # chirality for residue 19 atoms: CA OG HB2 HB3 &rst iat=289,294,292,293, &end # # chirality for residue 19 atoms: N C HA CB &rst iat=287,296,290,291, &end # # chirality for residue 20 atoms: CA CG HB2 HB3 &rst iat=300,305,303,304, &end # # chirality for residue 20 atoms: CB CD HG2 HG3 &rst iat=302,308,306,307, &end # # chirality for residue 20 atoms: N C HA CB &rst iat=298,313,301,302, &end # # chirality for residue 21 atoms: CA CG HB2 HB3 &rst iat=317,322,320,321, &end # # chirality for residue 21 atoms: CB CD1 CD2 HG &rst iat=319,324,328,323, &end # # chirality for residue 21 atoms: N C HA CB &rst iat=315,332,318,319, &end # # chirality for residue 22 atoms: CA CG HB2 HB3 &rst iat=336,341,339,340, &end # # chirality for residue 22 atoms: N C HA CB &rst iat=334,344,337,338, &end # # chirality for residue 23 atoms: CA CG HB2 HB3 &rst iat=348,353,351,352, &end # # chirality for residue 23 atoms: CB CD HG2 HG3 &rst iat=350,356,354,355, &end # # chirality for residue 23 atoms: CG NE HD2 HD3 &rst iat=353,359,357,358, &end # # chirality for residue 23 atoms: N C HA CB &rst iat=346,368,349,350, &end # # chirality for residue 24 atoms: CA CG HB2 HB3 &rst iat=372,377,375,376, &end # # chirality for residue 24 atoms: N C HA CB &rst iat=370,380,373,374, &end # # chirality for residue 25 atoms: CA CG HB2 HB3 &rst iat=384,389,387,388, &end # # chirality for residue 25 atoms: CB CD HG2 HG3 &rst iat=386,392,390,391, &end # # chirality for residue 25 atoms: N C HA CB &rst iat=382,397,385,386, &end # # chirality for residue 26 atoms: CA SG HB2 HB3 &rst iat=401,406,405,404, &end # # chirality for residue 26 atoms: N C HA CB &rst iat=399,407,402,403, &end # # chirality for residue 27 atoms: N C HA CB &rst iat=409,417,412,413, &end # # chirality for residue 28 atoms: CA CG HB2 HB3 &rst iat=421,426,424,425, &end # # chirality for residue 28 atoms: N C HA CB &rst iat=419,438,422,423, &end # # chirality for residue 29 atoms: CA SG HB2 HB3 &rst iat=442,447,446,445, &end # # chirality for residue 29 atoms: N C HA CB &rst iat=440,448,443,444, &end # # chirality for residue 30 atoms: CA CG HB2 HB3 &rst iat=452,457,455,456, &end # # chirality for residue 30 atoms: CB CD HG2 HG3 &rst iat=454,460,458,459, &end # # chirality for residue 30 atoms: CD NZ HE2 HE3 &rst iat=460,466,464,465, &end # # chirality for residue 30 atoms: CG CE HD2 HD3 &rst iat=457,463,461,462, &end # # chirality for residue 30 atoms: N C HA CB &rst iat=450,470,453,454, &end # # chirality for residue 31 atoms: CA CG HB2 HB3 &rst iat=474,479,477,478, &end # # chirality for residue 31 atoms: CB CD HG2 HG3 &rst iat=476,482,480,481, &end # # chirality for residue 31 atoms: N C HA CB &rst iat=472,485,475,476, &end # # chirality for residue 32 atoms: CA CG HB2 HB3 &rst iat=489,494,492,493, &end # # chirality for residue 32 atoms: CB CD HG2 HG3 &rst iat=491,497,495,496, &end # # chirality for residue 32 atoms: CD NZ HE2 HE3 &rst iat=497,503,501,502, &end # # chirality for residue 32 atoms: CG CE HD2 HD3 &rst iat=494,500,498,499, &end # # chirality for residue 32 atoms: N C HA CB &rst iat=487,507,490,491, &end # # chirality for residue 33 atoms: N C HA2 HA3 &rst iat=509,514,512,513, &end # # chirality for residue 34 atoms: CA CG HB2 HB3 &rst iat=518,523,521,522, &end # # chirality for residue 34 atoms: N C HA CB &rst iat=516,531,519,520, &end # # chirality for residue 35 atoms: CA CG HB2 HB3 &rst iat=535,540,538,539, &end # # chirality for residue 35 atoms: N C HA CB &rst iat=533,555,536,537, &end # # chirality for residue 36 atoms: N C HA CB &rst iat=557,565,560,561, &end # # chirality for residue 37 atoms: CA CG HB2 HB3 &rst iat=569,574,572,573, &end # # chirality for residue 37 atoms: CB CD HG2 HG3 &rst iat=571,577,575,576, &end # # chirality for residue 37 atoms: CD NZ HE2 HE3 &rst iat=577,583,581,582, &end # # chirality for residue 37 atoms: CG CE HD2 HD3 &rst iat=574,580,578,579, &end # # chirality for residue 37 atoms: N C HA CB &rst iat=567,587,570,571, &end # # chirality for residue 38 atoms: CA CG HB2 HB3 &rst iat=591,596,594,595, &end # # chirality for residue 38 atoms: N C HA CB &rst iat=589,599,592,593, &end # # chirality for residue 39 atoms: CA SG HB2 HB3 &rst iat=603,608,607,606, &end # # chirality for residue 39 atoms: N C HA CB &rst iat=601,609,604,605, &end # # chirality for residue 40 atoms: CA CG HB2 HB3 &rst iat=621,615,619,620, &end # # chirality for residue 40 atoms: CB CD HG2 HG3 &rst iat=618,612,616,617, &end # # chirality for residue 40 atoms: CG N HD2 HD3 &rst iat=615,611,613,614, &end # # chirality for residue 40 atoms: N C HA CB &rst iat=611,623,622,618, &end # # chirality for residue 41 atoms: CA CG HB2 HB3 &rst iat=627,632,630,631, &end # # chirality for residue 41 atoms: CB CD HG2 HG3 &rst iat=629,635,633,634, &end # # chirality for residue 41 atoms: CD NZ HE2 HE3 &rst iat=635,641,639,640, &end # # chirality for residue 41 atoms: CG CE HD2 HD3 &rst iat=632,638,636,637, &end # # chirality for residue 41 atoms: N C HA CB &rst iat=625,645,628,629, &end # # chirality for residue 42 atoms: CA CG HB2 HB3 &rst iat=649,654,652,653, &end # # chirality for residue 42 atoms: CB CD HG2 HG3 &rst iat=651,657,655,656, &end # # chirality for residue 42 atoms: CD NZ HE2 HE3 &rst iat=657,663,661,662, &end # # chirality for residue 42 atoms: CG CE HD2 HD3 &rst iat=654,660,658,659, &end # # chirality for residue 42 atoms: N C HA CB &rst iat=647,667,650,651, &end # # chirality for residue 43 atoms: CA CG HB2 HB3 &rst iat=679,673,677,678, &end # # chirality for residue 43 atoms: CB CD HG2 HG3 &rst iat=676,670,674,675, &end # # chirality for residue 43 atoms: CG N HD2 HD3 &rst iat=673,669,671,672, &end # # chirality for residue 43 atoms: N C HA CB &rst iat=669,681,680,676, &end # # chirality for residue 44 atoms: CA CG HB2 HB3 &rst iat=685,690,688,689, &end # # chirality for residue 44 atoms: CB CD HG2 HG3 &rst iat=687,693,691,692, &end # # chirality for residue 44 atoms: CG NE HD2 HD3 &rst iat=690,696,694,695, &end # # chirality for residue 44 atoms: N C HA CB &rst iat=683,705,686,687, &end # # chirality for residue 45 atoms: N C HA2 HA3 &rst iat=707,712,710,711, &end # # chirality for residue 46 atoms: CA CG HB2 HB3 &rst iat=724,718,722,723, &end # # chirality for residue 46 atoms: CB CD HG2 HG3 &rst iat=721,715,719,720, &end # # chirality for residue 46 atoms: CG N HD2 HD3 &rst iat=718,714,716,717, &end # # chirality for residue 46 atoms: N C HA CB &rst iat=714,726,725,721, &end # # chirality for residue 47 atoms: CA CG HB2 HB3 &rst iat=730,735,733,734, &end # # chirality for residue 47 atoms: CB CD HG2 HG3 &rst iat=732,738,736,737, &end # # chirality for residue 47 atoms: CG NE HD2 HD3 &rst iat=735,741,739,740, &end # # chirality for residue 47 atoms: N C HA CB &rst iat=728,750,731,732, &end # # chirality for residue 48 atoms: N C HA2 HA3 &rst iat=752,757,755,756, &end # # chirality for residue 49 atoms: CA CG HB2 HB3 &rst iat=769,763,767,768, &end # # chirality for residue 49 atoms: CB CD HG2 HG3 &rst iat=766,760,764,765, &end # # chirality for residue 49 atoms: CG N HD2 HD3 &rst iat=763,759,761,762, &end # # chirality for residue 49 atoms: N C HA CB &rst iat=759,771,770,766, &end # # chirality for residue 50 atoms: CA CG HB2 HB3 &rst iat=775,780,778,779, &end # # chirality for residue 50 atoms: CB CD HG2 HG3 &rst iat=777,783,781,782, &end # # chirality for residue 50 atoms: CG NE HD2 HD3 &rst iat=780,786,784,785, &end # # chirality for residue 50 atoms: N C HA CB &rst iat=773,795,776,777, &end # # chirality for residue 51 atoms: CA CG HB2 HB3 &rst iat=807,801,805,806, &end # # chirality for residue 51 atoms: CB CD HG2 HG3 &rst iat=804,798,802,803, &end # # chirality for residue 51 atoms: CG N HD2 HD3 &rst iat=801,797,799,800, &end # # chirality for residue 51 atoms: N C HA CB &rst iat=797,809,808,804, &end # # chirality for residue 52 atoms: CA CG HB2 HB3 &rst iat=813,818,816,817, &end # # chirality for residue 52 atoms: CB CD HG2 HG3 &rst iat=815,821,819,820, &end # # chirality for residue 52 atoms: N C HA CB &rst iat=811,826,814,815, &end # # chirality for residue 53 atoms: CA CG2 OG1 HB &rst iat=830,834,838,833, &end # # chirality for residue 53 atoms: N C HA CB &rst iat=828,840,831,832, &end # # chirality for residue 54 atoms: CA OG HB2 HB3 &rst iat=844,849,847,848, &end # # chirality for residue 54 atoms: N C HA CB &rst iat=842,851,845,846, &end # # chirality for residue 55 atoms: CA CG HB2 HB3 &rst iat=855,860,858,859, &end # # chirality for residue 55 atoms: CB CD1 CD2 HG &rst iat=857,862,866,861, &end # # chirality for residue 55 atoms: N C HA CB &rst iat=853,870,856,857, &end #
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