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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479648 |
2rr4   |
11115 | cing | 1-original | 1 | AMBER | stereochemistry | chirality |
# # chirality for residue 1 atoms: N C HA2 HA3 &rst iat=1,8,6,7, r1=10., r2=60., r3=80., r4=130., rk2 = 250., rk3 = 250., &end # # chirality for residue 2 atoms: CA OG HB2 HB3 &rst iat=12,17,15,16, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=10,19,13,14, &end # # chirality for residue 3 atoms: CA OG HB2 HB3 &rst iat=23,28,26,27, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=21,30,24,25, &end # # chirality for residue 4 atoms: N C HA2 HA3 &rst iat=32,37,35,36, &end # # chirality for residue 5 atoms: CA OG HB2 HB3 &rst iat=41,46,44,45, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=39,48,42,43, &end # # chirality for residue 6 atoms: CA OG HB2 HB3 &rst iat=52,57,55,56, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=50,59,53,54, &end # # chirality for residue 7 atoms: N C HA2 HA3 &rst iat=61,66,64,65, &end # # chirality for residue 8 atoms: CA CG HB2 HB3 &rst iat=70,75,73,74, &end # # chirality for residue 8 atoms: CB CD HG2 HG3 &rst iat=72,78,76,77, &end # # chirality for residue 8 atoms: N C HA CB &rst iat=68,81,71,72, &end # # chirality for residue 9 atoms: CA CG2 CG1 HB &rst iat=85,89,93,88, &end # # chirality for residue 9 atoms: CB CD1 HG12 HG13 &rst iat=87,96,94,95, &end # # chirality for residue 9 atoms: N C HA CB &rst iat=83,100,86,87, &end # # chirality for residue 10 atoms: CA OG HB2 HB3 &rst iat=104,109,107,108, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=102,111,105,106, &end # # chirality for residue 11 atoms: N C HA2 HA3 &rst iat=113,118,116,117, &end # # chirality for residue 12 atoms: CA CG HB2 HB3 &rst iat=122,127,125,126, &end # # chirality for residue 12 atoms: N C HA CB &rst iat=120,138,123,124, &end # # chirality for residue 13 atoms: N C HA2 HA3 &rst iat=140,145,143,144, &end # # chirality for residue 14 atoms: CA CG HB2 HB3 &rst iat=149,154,152,153, &end # # chirality for residue 14 atoms: CB CD HG2 HG3 &rst iat=151,157,155,156, &end # # chirality for residue 14 atoms: N C HA CB &rst iat=147,162,150,151, &end # # chirality for residue 15 atoms: CA SG HB2 HB3 &rst iat=166,171,169,170, &end # # chirality for residue 15 atoms: N C HA CB &rst iat=164,173,167,168, &end # # chirality for residue 16 atoms: CA CG HB2 HB3 &rst iat=177,182,180,181, &end # # chirality for residue 16 atoms: CB CD1 CD2 HG &rst iat=179,184,188,183, &end # # chirality for residue 16 atoms: N C HA CB &rst iat=175,192,178,179, &end # # chirality for residue 17 atoms: CA CG1 CG2 HB &rst iat=196,200,204,199, &end # # chirality for residue 17 atoms: N C HA CB &rst iat=194,208,197,198, &end # # chirality for residue 18 atoms: CA CG HB2 HB3 &rst iat=212,217,215,216, &end # # chirality for residue 18 atoms: N C HA CB &rst iat=210,232,213,214, &end # # chirality for residue 19 atoms: CA CG1 CG2 HB &rst iat=236,240,244,239, &end # # chirality for residue 19 atoms: N C HA CB &rst iat=234,248,237,238, &end # # chirality for residue 20 atoms: CA CG HB2 HB3 &rst iat=252,257,255,256, &end # # chirality for residue 20 atoms: CB CD HG2 HG3 &rst iat=254,260,258,259, &end # # chirality for residue 20 atoms: N C HA CB &rst iat=250,265,253,254, &end # # chirality for residue 22 atoms: CA OG HB2 HB3 &rst iat=279,284,282,283, &end # # chirality for residue 22 atoms: N C HA CB &rst iat=277,286,280,281, &end # # chirality for residue 23 atoms: CA CG HB2 HB3 &rst iat=290,295,293,294, &end # # chirality for residue 23 atoms: N C HA CB &rst iat=288,306,291,292, &end # # chirality for residue 24 atoms: CA CG HB2 HB3 &rst iat=318,312,316,317, &end # # chirality for residue 24 atoms: CB CD HG2 HG3 &rst iat=315,309,313,314, &end # # chirality for residue 24 atoms: CG N HD2 HD3 &rst iat=312,308,310,311, &end # # chirality for residue 24 atoms: N C HA CB &rst iat=308,320,319,315, &end # # chirality for residue 25 atoms: CA CG HB2 HB3 &rst iat=324,329,327,328, &end # # chirality for residue 25 atoms: N C HA CB &rst iat=322,334,325,326, &end # # chirality for residue 27 atoms: N C HA2 HA3 &rst iat=346,351,349,350, &end # # chirality for residue 28 atoms: CA CG HB2 HB3 &rst iat=355,360,358,359, &end # # chirality for residue 28 atoms: CB CD HG2 HG3 &rst iat=357,363,361,362, &end # # chirality for residue 28 atoms: CD NZ HE2 HE3 &rst iat=363,369,367,368, &end # # chirality for residue 28 atoms: CG CE HD2 HD3 &rst iat=360,366,364,365, &end # # chirality for residue 28 atoms: N C HA CB &rst iat=353,373,356,357, &end # # chirality for residue 29 atoms: CA CG HB2 HB3 &rst iat=377,382,380,381, &end # # chirality for residue 29 atoms: N C HA CB &rst iat=375,397,378,379, &end # # chirality for residue 30 atoms: CA CG HB2 HB3 &rst iat=401,406,404,405, &end # # chirality for residue 30 atoms: CB CD HG2 HG3 &rst iat=403,409,407,408, &end # # chirality for residue 30 atoms: CG NE HD2 HD3 &rst iat=406,412,410,411, &end # # chirality for residue 30 atoms: N C HA CB &rst iat=399,421,402,403, &end # # chirality for residue 31 atoms: CA CG HB2 HB3 &rst iat=425,430,428,429, &end # # chirality for residue 31 atoms: CB CD HG2 HG3 &rst iat=427,433,431,432, &end # # chirality for residue 31 atoms: CG NE HD2 HD3 &rst iat=430,436,434,435, &end # # chirality for residue 31 atoms: N C HA CB &rst iat=423,445,426,427, &end # # chirality for residue 32 atoms: CA CG HB2 HB3 &rst iat=449,454,452,453, &end # # chirality for residue 32 atoms: CB CD1 CD2 HG &rst iat=451,456,460,455, &end # # chirality for residue 32 atoms: N C HA CB &rst iat=447,464,450,451, &end # # chirality for residue 33 atoms: CA SG HB2 HB3 &rst iat=468,473,471,472, &end # # chirality for residue 33 atoms: N C HA CB &rst iat=466,475,469,470, &end # # chirality for residue 34 atoms: N C HA2 HA3 &rst iat=477,482,480,481, &end # # chirality for residue 35 atoms: CA CG HB2 HB3 &rst iat=486,491,489,490, &end # # chirality for residue 35 atoms: N C HA CB &rst iat=484,496,487,488, &end # # chirality for residue 36 atoms: CA CG2 CG1 HB &rst iat=500,504,508,503, &end # # chirality for residue 36 atoms: CB CD1 HG12 HG13 &rst iat=502,511,509,510, &end # # chirality for residue 36 atoms: N C HA CB &rst iat=498,515,501,502, &end # # chirality for residue 37 atoms: CA CG HB2 HB3 &rst iat=519,524,522,523, &end # # chirality for residue 37 atoms: N C HA CB &rst iat=517,527,520,521, &end # # chirality for residue 38 atoms: CA CG HB2 HB3 &rst iat=539,533,537,538, &end # # chirality for residue 38 atoms: CB CD HG2 HG3 &rst iat=536,530,534,535, &end # # chirality for residue 38 atoms: CG N HD2 HD3 &rst iat=533,529,531,532, &end # # chirality for residue 38 atoms: N C HA CB &rst iat=529,541,540,536, &end # # chirality for residue 39 atoms: CA OG HB2 HB3 &rst iat=545,550,548,549, &end # # chirality for residue 39 atoms: N C HA CB &rst iat=543,552,546,547, &end # # chirality for residue 40 atoms: CA CG1 CG2 HB &rst iat=556,560,564,559, &end # # chirality for residue 40 atoms: N C HA CB &rst iat=554,568,557,558, &end # # chirality for residue 41 atoms: CA CG HB2 HB3 &rst iat=572,577,575,576, &end # # chirality for residue 41 atoms: CB CD1 CD2 HG &rst iat=574,579,583,578, &end # # chirality for residue 41 atoms: N C HA CB &rst iat=570,587,573,574, &end # # chirality for residue 42 atoms: CA CG HB2 HB3 &rst iat=599,593,597,598, &end # # chirality for residue 42 atoms: CB CD HG2 HG3 &rst iat=596,590,594,595, &end # # chirality for residue 42 atoms: CG N HD2 HD3 &rst iat=593,589,591,592, &end # # chirality for residue 42 atoms: N C HA CB &rst iat=589,601,600,596, &end # # chirality for residue 43 atoms: CA CG HB2 HB3 &rst iat=605,610,608,609, &end # # chirality for residue 43 atoms: N C HA CB &rst iat=603,613,606,607, &end # # chirality for residue 44 atoms: CA CG HB2 HB3 &rst iat=617,622,620,621, &end # # chirality for residue 44 atoms: N C HA CB &rst iat=615,627,618,619, &end # # chirality for residue 45 atoms: CA CG HB2 HB3 &rst iat=631,636,634,635, &end # # chirality for residue 45 atoms: N C HA CB &rst iat=629,651,632,633, &end # # chirality for residue 46 atoms: CA OG HB2 HB3 &rst iat=655,660,658,659, &end # # chirality for residue 46 atoms: N C HA CB &rst iat=653,662,656,657, &end # # chirality for residue 48 atoms: CA CG HB2 HB3 &rst iat=676,681,679,680, &end # # chirality for residue 48 atoms: N C HA CB &rst iat=674,684,677,678, &end # # chirality for residue 49 atoms: CA CG HB2 HB3 &rst iat=688,693,691,692, &end # # chirality for residue 49 atoms: CB CD HG2 HG3 &rst iat=690,696,694,695, &end # # chirality for residue 49 atoms: N C HA CB &rst iat=686,701,689,690, &end # # chirality for residue 50 atoms: CA CG HB2 HB3 &rst iat=705,710,708,709, &end # # chirality for residue 50 atoms: N C HA CB &rst iat=703,715,706,707, &end # # chirality for residue 51 atoms: CA CG2 OG1 HB &rst iat=719,723,727,722, &end # # chirality for residue 51 atoms: N C HA CB &rst iat=717,729,720,721, &end # # chirality for residue 52 atoms: CA CG HB2 HB3 &rst iat=733,738,736,737, &end # # chirality for residue 52 atoms: N C HA CB &rst iat=731,741,734,735, &end # # chirality for residue 53 atoms: CA CG1 CG2 HB &rst iat=745,749,753,748, &end # # chirality for residue 53 atoms: N C HA CB &rst iat=743,757,746,747, &end # # chirality for residue 54 atoms: CA CG HB2 HB3 &rst iat=761,766,764,765, &end # # chirality for residue 54 atoms: CB CD HG2 HG3 &rst iat=763,769,767,768, &end # # chirality for residue 54 atoms: N C HA CB &rst iat=759,774,762,763, &end # # chirality for residue 55 atoms: CA CG HB2 HB3 &rst iat=778,783,781,782, &end # # chirality for residue 55 atoms: N C HA CB &rst iat=776,795,779,780, &end # # chirality for residue 56 atoms: CA CG HB2 HB3 &rst iat=799,804,802,803, &end # # chirality for residue 56 atoms: N C HA CB &rst iat=797,809,800,801, &end # # chirality for residue 57 atoms: CA CG HB2 HB3 &rst iat=813,818,816,817, &end # # chirality for residue 57 atoms: CB CD HG2 HG3 &rst iat=815,821,819,820, &end # # chirality for residue 57 atoms: CG NE HD2 HD3 &rst iat=818,824,822,823, &end # # chirality for residue 57 atoms: N C HA CB &rst iat=811,833,814,815, &end # # chirality for residue 59 atoms: CA CG HB2 HB3 &rst iat=847,852,850,851, &end # # chirality for residue 59 atoms: N C HA CB &rst iat=845,855,848,849, &end # # chirality for residue 60 atoms: CA CG2 CG1 HB &rst iat=859,863,867,862, &end # # chirality for residue 60 atoms: CB CD1 HG12 HG13 &rst iat=861,870,868,869, &end # # chirality for residue 60 atoms: N C HA CB &rst iat=857,874,860,861, &end # # chirality for residue 61 atoms: CA CG HB2 HB3 &rst iat=886,880,884,885, &end # # chirality for residue 61 atoms: CB CD HG2 HG3 &rst iat=883,877,881,882, &end # # chirality for residue 61 atoms: CG N HD2 HD3 &rst iat=880,876,878,879, &end # # chirality for residue 61 atoms: N C HA CB &rst iat=876,888,887,883, &end # # chirality for residue 62 atoms: CA CG HB2 HB3 &rst iat=892,897,895,896, &end # # chirality for residue 62 atoms: CB CD HG2 HG3 &rst iat=894,900,898,899, &end # # chirality for residue 62 atoms: N C HA CB &rst iat=890,903,893,894, &end # # chirality for residue 63 atoms: CA CG HB2 HB3 &rst iat=907,912,910,911, &end # # chirality for residue 63 atoms: CB CD HG2 HG3 &rst iat=909,915,913,914, &end # # chirality for residue 63 atoms: N C HA CB &rst iat=905,918,908,909, &end # # chirality for residue 64 atoms: CA CG2 OG1 HB &rst iat=922,926,930,925, &end # # chirality for residue 64 atoms: N C HA CB &rst iat=920,932,923,924, &end # # chirality for residue 65 atoms: CA CG HB2 HB3 &rst iat=936,941,939,940, &end # # chirality for residue 65 atoms: N C HA CB &rst iat=934,956,937,938, &end # # chirality for residue 66 atoms: CA CG2 OG1 HB &rst iat=960,964,968,963, &end # # chirality for residue 66 atoms: N C HA CB &rst iat=958,970,961,962, &end # # chirality for residue 67 atoms: N C HA2 HA3 &rst iat=972,977,975,976, &end # # chirality for residue 68 atoms: CA CG HB2 HB3 &rst iat=981,986,984,985, &end # # chirality for residue 68 atoms: CB CD1 CD2 HG &rst iat=983,988,992,987, &end # # chirality for residue 68 atoms: N C HA CB &rst iat=979,996,982,983, &end # # chirality for residue 69 atoms: CA CG HB2 HB3 &rst iat=1000,1005,1003,1004, &end # # chirality for residue 69 atoms: CB CD HG2 HG3 &rst iat=1002,1008,1006,1007, &end # # chirality for residue 69 atoms: N C HA CB &rst iat=998,1011,1001,1002, &end # # chirality for residue 70 atoms: N C HA CB &rst iat=1014,1024,1019,1020, &end # # chirality for residue 71 atoms: CA CG HB2 HB3 &rst iat=1028,1033,1031,1032, &end # # chirality for residue 71 atoms: CB CD HG2 HG3 &rst iat=1030,1036,1034,1035, &end # # chirality for residue 71 atoms: CG NE HD2 HD3 &rst iat=1033,1039,1037,1038, &end # # chirality for residue 71 atoms: N C HA CB &rst iat=1026,1048,1029,1030, &end # # chirality for residue 72 atoms: CA CG2 OG1 HB &rst iat=1052,1056,1060,1055, &end # # chirality for residue 72 atoms: N C HA CB &rst iat=1050,1062,1053,1054, &end # # chirality for residue 74 atoms: CA CG HB2 HB3 &rst iat=1097,1102,1100,1101, &end # # chirality for residue 74 atoms: CB CD HG2 HG3 &rst iat=1099,1105,1103,1104, &end # # chirality for residue 74 atoms: N C HA CB &rst iat=1095,1110,1098,1099, &end # # chirality for residue 75 atoms: CA CG2 OG1 HB &rst iat=1114,1118,1122,1117, &end # # chirality for residue 75 atoms: N C HA CB &rst iat=1112,1124,1115,1116, &end # # chirality for residue 76 atoms: N C HA CB &rst iat=1126,1134,1129,1130, &end # # chirality for residue 77 atoms: CA CG HB2 HB3 &rst iat=1138,1143,1141,1142, &end # # chirality for residue 77 atoms: CB CD HG2 HG3 &rst iat=1140,1146,1144,1145, &end # # chirality for residue 77 atoms: CG NE HD2 HD3 &rst iat=1143,1149,1147,1148, &end # # chirality for residue 77 atoms: N C HA CB &rst iat=1136,1158,1139,1140, &end # # chirality for residue 78 atoms: CA CG HB2 HB3 &rst iat=1162,1167,1165,1166, &end # # chirality for residue 78 atoms: CB CD HG2 HG3 &rst iat=1164,1170,1168,1169, &end # # chirality for residue 78 atoms: CD NZ HE2 HE3 &rst iat=1170,1176,1174,1175, &end # # chirality for residue 78 atoms: CG CE HD2 HD3 &rst iat=1167,1173,1171,1172, &end # # chirality for residue 78 atoms: N C HA CB &rst iat=1160,1180,1163,1164, &end # # chirality for residue 79 atoms: CA OG HB2 HB3 &rst iat=1184,1189,1187,1188, &end # # chirality for residue 79 atoms: N C HA CB &rst iat=1182,1191,1185,1186, &end #
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