NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype |
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502610 |
2rrb   |
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 CG HB2 HB3 &rst iat=20,14,18,19, &end # # chirality for residue 2 atoms: CB CD HG2 HG3 &rst iat=17,11,15,16, &end # # chirality for residue 2 atoms: CG N HD2 HD3 &rst iat=14,10,12,13, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=10,22,21,17, &end # # chirality for residue 3 atoms: CA CG HB2 HB3 &rst iat=26,31,29,30, &end # # chirality for residue 3 atoms: CB CD1 CD2 HG &rst iat=28,33,37,32, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=24,41,27,28, &end # # chirality for residue 4 atoms: N C HA2 HA3 &rst iat=43,48,46,47, &end # # chirality for residue 5 atoms: CA OG HB2 HB3 &rst iat=52,57,55,56, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=50,59,53,54, &end # # chirality for residue 6 atoms: CA CG HB2 HB3 &rst iat=63,68,66,67, &end # # chirality for residue 6 atoms: CB CD HG2 HG3 &rst iat=65,71,69,70, &end # # chirality for residue 6 atoms: CG NE HD2 HD3 &rst iat=68,74,72,73, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=61,83,64,65, &end # # chirality for residue 7 atoms: N C HA CB &rst iat=85,93,88,89, &end # # chirality for residue 8 atoms: CA CG HB2 HB3 &rst iat=97,102,100,101, &end # # chirality for residue 8 atoms: N C HA CB &rst iat=95,107,98,99, &end # # chirality for residue 9 atoms: CA CG HB2 HB3 &rst iat=119,113,117,118, &end # # chirality for residue 9 atoms: CB CD HG2 HG3 &rst iat=116,110,114,115, &end # # chirality for residue 9 atoms: CG N HD2 HD3 &rst iat=113,109,111,112, &end # # chirality for residue 9 atoms: N C HA CB &rst iat=109,121,120,116, &end # # chirality for residue 10 atoms: CA CG HB2 HB3 &rst iat=125,130,128,129, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=123,133,126,127, &end # # chirality for residue 11 atoms: CA CG HB2 HB3 &rst iat=145,139,143,144, &end # # chirality for residue 11 atoms: CB CD HG2 HG3 &rst iat=142,136,140,141, &end # # chirality for residue 11 atoms: CG N HD2 HD3 &rst iat=139,135,137,138, &end # # chirality for residue 11 atoms: N C HA CB &rst iat=135,147,146,142, &end # # chirality for residue 12 atoms: CA CG HB2 HB3 &rst iat=151,156,154,155, &end # # chirality for residue 12 atoms: N C HA CB &rst iat=149,161,152,153, &end # # chirality for residue 13 atoms: CA SG HB2 HB3 &rst iat=165,170,168,169, &end # # chirality for residue 13 atoms: N C HA CB &rst iat=163,172,166,167, &end # # chirality for residue 14 atoms: CA SG HB2 HB3 &rst iat=176,181,179,180, &end # # chirality for residue 14 atoms: N C HA CB &rst iat=174,183,177,178, &end # # chirality for residue 15 atoms: CA CG HB2 HB3 &rst iat=187,192,190,191, &end # # chirality for residue 15 atoms: CB CD1 CD2 HG &rst iat=189,194,198,193, &end # # chirality for residue 15 atoms: N C HA CB &rst iat=185,202,188,189, &end # # chirality for residue 16 atoms: N C HA2 HA3 &rst iat=204,209,207,208, &end # # chirality for residue 17 atoms: CA CG1 CG2 HB &rst iat=213,217,221,216, &end # # chirality for residue 17 atoms: N C HA CB &rst iat=211,225,214,215, &end # # chirality for residue 18 atoms: CA CG HB2 HB3 &rst iat=229,234,232,233, &end # # chirality for residue 18 atoms: N C HA CB &rst iat=227,245,230,231, &end # # chirality for residue 19 atoms: N C HA2 HA3 &rst iat=247,252,250,251, &end # # chirality for residue 20 atoms: CA CG HB2 HB3 &rst iat=256,261,259,260, &end # # chirality for residue 20 atoms: CB CD1 CD2 HG &rst iat=258,263,267,262, &end # # chirality for residue 20 atoms: N C HA CB &rst iat=254,271,257,258, &end # # chirality for residue 21 atoms: CA OG HB2 HB3 &rst iat=275,280,278,279, &end # # chirality for residue 21 atoms: N C HA CB &rst iat=273,282,276,277, &end # # chirality for residue 22 atoms: CA CG HB2 HB3 &rst iat=286,291,289,290, &end # # chirality for residue 22 atoms: CB CD1 CD2 HG &rst iat=288,293,297,292, &end # # chirality for residue 22 atoms: N C HA CB &rst iat=284,301,287,288, &end # # chirality for residue 23 atoms: CA CG HB2 HB3 &rst iat=305,310,308,309, &end # # chirality for residue 23 atoms: N C HA CB &rst iat=303,322,306,307, &end # # chirality for residue 24 atoms: CA CG2 OG1 HB &rst iat=326,330,334,329, &end # # chirality for residue 24 atoms: N C HA CB &rst iat=324,336,327,328, &end # # chirality for residue 25 atoms: CA CG2 OG1 HB &rst iat=340,344,348,343, &end # # chirality for residue 25 atoms: N C HA CB &rst iat=338,350,341,342, &end # # chirality for residue 26 atoms: CA CG HB2 HB3 &rst iat=354,359,357,358, &end # # chirality for residue 26 atoms: CB CD HG2 HG3 &rst iat=356,362,360,361, &end # # chirality for residue 26 atoms: N C HA CB &rst iat=352,365,355,356, &end # # chirality for residue 27 atoms: CA CG HB2 HB3 &rst iat=369,374,372,373, &end # # chirality for residue 27 atoms: CB CD HG2 HG3 &rst iat=371,377,375,376, &end # # chirality for residue 27 atoms: CG NE HD2 HD3 &rst iat=374,380,378,379, &end # # chirality for residue 27 atoms: N C HA CB &rst iat=367,389,370,371, &end # # chirality for residue 28 atoms: CA CG HB2 HB3 &rst iat=393,398,396,397, &end # # chirality for residue 28 atoms: N C HA CB &rst iat=391,401,394,395, &end # # chirality for residue 29 atoms: CA CG HB2 HB3 &rst iat=405,410,408,409, &end # # chirality for residue 29 atoms: CB CD1 CD2 HG &rst iat=407,412,416,411, &end # # chirality for residue 29 atoms: N C HA CB &rst iat=403,420,406,407, &end # # chirality for residue 30 atoms: CA CG HB2 HB3 &rst iat=424,429,427,428, &end # # chirality for residue 30 atoms: CB CD HG2 HG3 &rst iat=426,432,430,431, &end # # chirality for residue 30 atoms: CG NE HD2 HD3 &rst iat=429,435,433,434, &end # # chirality for residue 30 atoms: N C HA CB &rst iat=422,444,425,426, &end # # chirality for residue 31 atoms: CA CG HB2 HB3 &rst iat=448,453,451,452, &end # # chirality for residue 31 atoms: CB CD HG2 HG3 &rst iat=450,456,454,455, &end # # chirality for residue 31 atoms: N C HA CB &rst iat=446,459,449,450, &end # # chirality for residue 32 atoms: CA CG1 CG2 HB &rst iat=463,467,471,466, &end # # chirality for residue 32 atoms: N C HA CB &rst iat=461,475,464,465, &end # # chirality for residue 33 atoms: CA CG HB2 HB3 &rst iat=479,484,482,483, &end # # chirality for residue 33 atoms: N C HA CB &rst iat=477,495,480,481, &end # # chirality for residue 34 atoms: CA OG HB2 HB3 &rst iat=499,504,502,503, &end # # chirality for residue 34 atoms: N C HA CB &rst iat=497,506,500,501, &end # # chirality for residue 35 atoms: CA CG HB2 HB3 &rst iat=510,515,513,514, &end # # chirality for residue 35 atoms: CB CD HG2 HG3 &rst iat=512,518,516,517, &end # # chirality for residue 35 atoms: CD NZ HE2 HE3 &rst iat=518,524,522,523, &end # # chirality for residue 35 atoms: CG CE HD2 HD3 &rst iat=515,521,519,520, &end # # chirality for residue 35 atoms: N C HA CB &rst iat=508,528,511,512, &end # # chirality for residue 36 atoms: CA CG HB2 HB3 &rst iat=532,537,535,536, &end # # chirality for residue 36 atoms: N C HA CB &rst iat=530,549,533,534, &end # # chirality for residue 37 atoms: N C HA2 HA3 &rst iat=551,556,554,555, &end # # chirality for residue 38 atoms: CA CG HB2 HB3 &rst iat=568,562,566,567, &end # # chirality for residue 38 atoms: CB CD HG2 HG3 &rst iat=565,559,563,564, &end # # chirality for residue 38 atoms: CG N HD2 HD3 &rst iat=562,558,560,561, &end # # chirality for residue 38 atoms: N C HA CB &rst iat=558,570,569,565, &end # # chirality for residue 39 atoms: CA CG2 CG1 HB &rst iat=574,578,582,577, &end # # chirality for residue 39 atoms: CB CD1 HG12 HG13 &rst iat=576,585,583,584, &end # # chirality for residue 39 atoms: N C HA CB &rst iat=572,589,575,576, &end # # chirality for residue 40 atoms: N C HA CB &rst iat=591,599,594,595, &end # # chirality for residue 41 atoms: CA CG HB2 HB3 &rst iat=603,608,606,607, &end # # chirality for residue 41 atoms: N C HA CB &rst iat=601,611,604,605, &end # # chirality for residue 42 atoms: CA CG1 CG2 HB &rst iat=615,619,623,618, &end # # chirality for residue 42 atoms: N C HA CB &rst iat=613,627,616,617, &end # # chirality for residue 43 atoms: CA OG HB2 HB3 &rst iat=631,636,634,635, &end # # chirality for residue 43 atoms: N C HA CB &rst iat=629,638,632,633, &end # # chirality for residue 44 atoms: CA CG2 CG1 HB &rst iat=642,646,650,645, &end # # chirality for residue 44 atoms: CB CD1 HG12 HG13 &rst iat=644,653,651,652, &end # # chirality for residue 44 atoms: N C HA CB &rst iat=640,657,643,644, &end # # chirality for residue 45 atoms: CA CG1 CG2 HB &rst iat=661,665,669,664, &end # # chirality for residue 45 atoms: N C HA CB &rst iat=659,673,662,663, &end # # chirality for residue 46 atoms: CA CG HB2 HB3 &rst iat=677,682,680,681, &end # # chirality for residue 46 atoms: N C HA CB &rst iat=675,694,678,679, &end # # chirality for residue 47 atoms: CA CG HB2 HB3 &rst iat=698,703,701,702, &end # # chirality for residue 47 atoms: N C HA CB &rst iat=696,706,699,700, &end # # chirality for residue 48 atoms: CA CG HB2 HB3 &rst iat=710,715,713,714, &end # # chirality for residue 48 atoms: CB CD HG2 HG3 &rst iat=712,718,716,717, &end # # chirality for residue 48 atoms: N C HA CB &rst iat=708,723,711,712, &end # # chirality for residue 49 atoms: CA CG HB2 HB3 &rst iat=727,732,730,731, &end # # chirality for residue 49 atoms: CB CD HG2 HG3 &rst iat=729,735,733,734, &end # # chirality for residue 49 atoms: N C HA CB &rst iat=725,740,728,729, &end # # chirality for residue 50 atoms: CA OG HB2 HB3 &rst iat=744,749,747,748, &end # # chirality for residue 50 atoms: N C HA CB &rst iat=742,751,745,746, &end # # chirality for residue 51 atoms: CA CG HB2 HB3 &rst iat=755,760,758,759, &end # # chirality for residue 51 atoms: CB CD HG2 HG3 &rst iat=757,763,761,762, &end # # chirality for residue 51 atoms: CG NE HD2 HD3 &rst iat=760,766,764,765, &end # # chirality for residue 51 atoms: N C HA CB &rst iat=753,775,756,757, &end # # chirality for residue 52 atoms: CA CG HB2 HB3 &rst iat=779,784,782,783, &end # # chirality for residue 52 atoms: CB CD HG2 HG3 &rst iat=781,787,785,786, &end # # chirality for residue 52 atoms: CG NE HD2 HD3 &rst iat=784,790,788,789, &end # # chirality for residue 52 atoms: N C HA CB &rst iat=777,799,780,781, &end # # chirality for residue 53 atoms: CA OG HB2 HB3 &rst iat=803,808,806,807, &end # # chirality for residue 53 atoms: N C HA CB &rst iat=801,810,804,805, &end # # chirality for residue 54 atoms: CA CG HB2 HB3 &rst iat=814,819,817,818, &end # # chirality for residue 54 atoms: CB CD HG2 HG3 &rst iat=816,822,820,821, &end # # chirality for residue 54 atoms: CG NE HD2 HD3 &rst iat=819,825,823,824, &end # # chirality for residue 54 atoms: N C HA CB &rst iat=812,834,815,816, &end # # chirality for residue 55 atoms: N C HA2 HA3 &rst iat=836,841,839,840, &end # # chirality for residue 56 atoms: CA CG HB2 HB3 &rst iat=845,850,848,849, &end # # chirality for residue 56 atoms: N C HA CB &rst iat=843,861,846,847, &end # # chirality for residue 57 atoms: N C HA CB &rst iat=863,871,866,867, &end # # chirality for residue 58 atoms: CA CG HB2 HB3 &rst iat=875,880,878,879, &end # # chirality for residue 58 atoms: N C HA CB &rst iat=873,891,876,877, &end # # chirality for residue 59 atoms: CA CG1 CG2 HB &rst iat=895,899,903,898, &end # # chirality for residue 59 atoms: N C HA CB &rst iat=893,907,896,897, &end # # chirality for residue 60 atoms: CA CG HB2 HB3 &rst iat=911,916,914,915, &end # # chirality for residue 60 atoms: N C HA CB &rst iat=909,928,912,913, &end # # chirality for residue 61 atoms: CA CG HB2 HB3 &rst iat=932,937,935,936, &end # # chirality for residue 61 atoms: N C HA CB &rst iat=930,948,933,934, &end # # chirality for residue 62 atoms: CA CG HB2 HB3 &rst iat=952,957,955,956, &end # # chirality for residue 62 atoms: CB CD HG2 HG3 &rst iat=954,960,958,959, &end # # chirality for residue 62 atoms: N C HA CB &rst iat=950,963,953,954, &end # # chirality for residue 63 atoms: CA CG HB2 HB3 &rst iat=967,972,970,971, &end # # chirality for residue 63 atoms: N C HA CB &rst iat=965,977,968,969, &end # # chirality for residue 64 atoms: CA CG1 CG2 HB &rst iat=981,985,989,984, &end # # chirality for residue 64 atoms: N C HA CB &rst iat=979,993,982,983, &end # # chirality for residue 65 atoms: CA CG HB2 HB3 &rst iat=997,1002,1000,1001, &end # # chirality for residue 65 atoms: N C HA CB &rst iat=995,1005,998,999, &end # # chirality for residue 66 atoms: CA CG HB2 HB3 &rst iat=1009,1014,1012,1013, &end # # chirality for residue 66 atoms: N C HA CB &rst iat=1007,1017,1010,1011, &end # # chirality for residue 67 atoms: N C HA CB &rst iat=1019,1027,1022,1023, &end # # chirality for residue 68 atoms: CA CG HB2 HB3 &rst iat=1031,1036,1034,1035, &end # # chirality for residue 68 atoms: CB CD HG2 HG3 &rst iat=1033,1039,1037,1038, &end # # chirality for residue 68 atoms: CD NZ HE2 HE3 &rst iat=1039,1045,1043,1044, &end # # chirality for residue 68 atoms: CG CE HD2 HD3 &rst iat=1036,1042,1040,1041, &end # # chirality for residue 68 atoms: N C HA CB &rst iat=1029,1049,1032,1033, &end # # chirality for residue 69 atoms: CA CG HB2 HB3 &rst iat=1053,1058,1056,1057, &end # # chirality for residue 69 atoms: CB CD HG2 HG3 &rst iat=1055,1061,1059,1060, &end # # chirality for residue 69 atoms: N C HA CB &rst iat=1051,1064,1054,1055, &end # # chirality for residue 70 atoms: N C HA CB &rst iat=1066,1074,1069,1070, &end # # chirality for residue 71 atoms: CA CG HB2 HB3 &rst iat=1078,1083,1081,1082, &end # # chirality for residue 71 atoms: CB CD HG2 HG3 &rst iat=1080,1086,1084,1085, &end # # chirality for residue 71 atoms: CD NZ HE2 HE3 &rst iat=1086,1092,1090,1091, &end # # chirality for residue 71 atoms: CG CE HD2 HD3 &rst iat=1083,1089,1087,1088, &end # # chirality for residue 71 atoms: N C HA CB &rst iat=1076,1096,1079,1080, &end # # chirality for residue 72 atoms: CA CG HB2 HB3 &rst iat=1100,1105,1103,1104, &end # # chirality for residue 72 atoms: CB CD HG2 HG3 &rst iat=1102,1108,1106,1107, &end # # chirality for residue 72 atoms: N C HA CB &rst iat=1098,1111,1101,1102, &end # # chirality for residue 73 atoms: CA CG HB2 HB3 &rst iat=1115,1120,1118,1119, &end # # chirality for residue 73 atoms: CB CD HG2 HG3 &rst iat=1117,1123,1121,1122, &end # # chirality for residue 73 atoms: CG NE HD2 HD3 &rst iat=1120,1126,1124,1125, &end # # chirality for residue 73 atoms: N C HA CB &rst iat=1113,1135,1116,1117, &end # # chirality for residue 74 atoms: N C HA CB &rst iat=1137,1145,1140,1141, &end # # chirality for residue 75 atoms: CA CG HB2 HB3 &rst iat=1149,1154,1152,1153, &end # # chirality for residue 75 atoms: N C HA CB &rst iat=1147,1159,1150,1151, &end # # chirality for residue 76 atoms: N C HA2 HA3 &rst iat=1161,1166,1164,1165, &end # # chirality for residue 77 atoms: CA CG HB2 HB3 &rst iat=1170,1175,1173,1174, &end # # chirality for residue 77 atoms: CB SD HG2 HG3 &rst iat=1172,1178,1176,1177, &end # # chirality for residue 77 atoms: N C HA CB &rst iat=1168,1183,1171,1172, &end # # chirality for residue 78 atoms: CA CG HB2 HB3 &rst iat=1187,1192,1190,1191, &end # # chirality for residue 78 atoms: CB CD HG2 HG3 &rst iat=1189,1195,1193,1194, &end # # chirality for residue 78 atoms: N C HA CB &rst iat=1185,1198,1188,1189, &end # # chirality for residue 79 atoms: CA CG HB2 HB3 &rst iat=1202,1207,1205,1206, &end # # chirality for residue 79 atoms: CB CD1 CD2 HG &rst iat=1204,1209,1213,1208, &end # # chirality for residue 79 atoms: N C HA CB &rst iat=1200,1217,1203,1204, &end # # chirality for residue 80 atoms: CA CG HB2 HB3 &rst iat=1221,1226,1224,1225, &end # # chirality for residue 80 atoms: N C HA CB &rst iat=1219,1229,1222,1223, &end # # chirality for residue 81 atoms: N C HA2 HA3 &rst iat=1231,1236,1234,1235, &end # # chirality for residue 82 atoms: CA CG HB2 HB3 &rst iat=1240,1245,1243,1244, &end # # chirality for residue 82 atoms: CB CD HG2 HG3 &rst iat=1242,1248,1246,1247, &end # # chirality for residue 82 atoms: CG NE HD2 HD3 &rst iat=1245,1251,1249,1250, &end # # chirality for residue 82 atoms: N C HA CB &rst iat=1238,1260,1241,1242, &end # # chirality for residue 83 atoms: CA CG HB2 HB3 &rst iat=1264,1269,1267,1268, &end # # chirality for residue 83 atoms: CB CD HG2 HG3 &rst iat=1266,1272,1270,1271, &end # # chirality for residue 83 atoms: CG NE HD2 HD3 &rst iat=1269,1275,1273,1274, &end # # chirality for residue 83 atoms: N C HA CB &rst iat=1262,1284,1265,1266, &end # # chirality for residue 84 atoms: CA CG2 CG1 HB &rst iat=1288,1292,1296,1291, &end # # chirality for residue 84 atoms: CB CD1 HG12 HG13 &rst iat=1290,1299,1297,1298, &end # # chirality for residue 84 atoms: N C HA CB &rst iat=1286,1303,1289,1290, &end # # chirality for residue 85 atoms: CA CG HB2 HB3 &rst iat=1307,1312,1310,1311, &end # # chirality for residue 85 atoms: CB CD HG2 HG3 &rst iat=1309,1315,1313,1314, &end # # chirality for residue 85 atoms: CG NE HD2 HD3 &rst iat=1312,1318,1316,1317, &end # # chirality for residue 85 atoms: N C HA CB &rst iat=1305,1327,1308,1309, &end # # chirality for residue 86 atoms: CA CG1 CG2 HB &rst iat=1331,1335,1339,1334, &end # # chirality for residue 86 atoms: N C HA CB &rst iat=1329,1343,1332,1333, &end # # chirality for residue 87 atoms: CA CG HB2 HB3 &rst iat=1347,1352,1350,1351, &end # # chirality for residue 87 atoms: N C HA CB &rst iat=1345,1355,1348,1349, &end # # chirality for residue 88 atoms: CA CG HB2 HB3 &rst iat=1359,1364,1362,1363, &end # # chirality for residue 88 atoms: N C HA CB &rst iat=1357,1375,1360,1361, &end # # chirality for residue 89 atoms: CA OG HB2 HB3 &rst iat=1379,1384,1382,1383, &end # # chirality for residue 89 atoms: N C HA CB &rst iat=1377,1386,1380,1381, &end # # chirality for residue 90 atoms: CA CG2 CG1 HB &rst iat=1390,1394,1398,1393, &end # # chirality for residue 90 atoms: CB CD1 HG12 HG13 &rst iat=1392,1401,1399,1400, &end # # chirality for residue 90 atoms: N C HA CB &rst iat=1388,1405,1391,1392, &end # # chirality for residue 91 atoms: CA CG2 OG1 HB &rst iat=1409,1413,1417,1412, &end # # chirality for residue 91 atoms: N C HA CB &rst iat=1407,1419,1410,1411, &end # # chirality for residue 92 atoms: CA CG HB2 HB3 &rst iat=1423,1428,1426,1427, &end # # chirality for residue 92 atoms: CB CD HG2 HG3 &rst iat=1425,1431,1429,1430, &end # # chirality for residue 92 atoms: CD NZ HE2 HE3 &rst iat=1431,1437,1435,1436, &end # # chirality for residue 92 atoms: CG CE HD2 HD3 &rst iat=1428,1434,1432,1433, &end # # chirality for residue 92 atoms: N C HA CB &rst iat=1421,1441,1424,1425, &end # # chirality for residue 93 atoms: CA CG HB2 HB3 &rst iat=1445,1450,1448,1449, &end # # chirality for residue 93 atoms: CB CD HG2 HG3 &rst iat=1447,1453,1451,1452, &end # # chirality for residue 93 atoms: CG NE HD2 HD3 &rst iat=1450,1456,1454,1455, &end # # chirality for residue 93 atoms: N C HA CB &rst iat=1443,1465,1446,1447, &end # # chirality for residue 94 atoms: CA CG HB2 HB3 &rst iat=1477,1471,1475,1476, &end # # chirality for residue 94 atoms: CB CD HG2 HG3 &rst iat=1474,1468,1472,1473, &end # # chirality for residue 94 atoms: CG N HD2 HD3 &rst iat=1471,1467,1469,1470, &end # # chirality for residue 94 atoms: N C HA CB &rst iat=1467,1479,1478,1474, &end # # chirality for residue 95 atoms: CA CG HB2 HB3 &rst iat=1483,1488,1486,1487, &end # # chirality for residue 95 atoms: N C HA CB &rst iat=1481,1496,1484,1485, &end # # chirality for residue 96 atoms: CA CG2 OG1 HB &rst iat=1500,1504,1508,1503, &end # # chirality for residue 96 atoms: N C HA CB &rst iat=1498,1510,1501,1502, &end
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