NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype |
20268 | 2fek | 6934 | cing | 1-original | 5 | AMBER | stereochemistry | chirality |
******************************************************************** chirality ******************************************************************** # # chirality for residue 1 atoms: CA CG HB2 HB3 &rst iat=5,10,8,9, r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150., &end # # chirality for residue 1 atoms: CB SD HG2 HG3 &rst iat=7,13,11,12, &end # # chirality for residue 1 atoms: N C HA CB &rst iat=1,18,6,7, &end # # chirality for residue 2 atoms: CA CG HB2 HB3 &rst iat=22,27,25,26, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=20,38,23,24, &end # # chirality for residue 3 atoms: CA CG HB2 HB3 &rst iat=42,47,45,46, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=40,52,43,44, &end # # chirality for residue 4 atoms: CA CG HB2 HB3 &rst iat=56,61,59,60, &end # # chirality for residue 4 atoms: N C HA CB &rst iat=54,66,57,58, &end # # chirality for residue 5 atoms: CA CG2 CG1 HB &rst iat=70,74,78,73, &end # # chirality for residue 5 atoms: CB CD1 HG12 HG13 &rst iat=72,81,79,80, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=68,85,71,72, &end # # chirality for residue 6 atoms: CA CG HB2 HB3 &rst iat=89,94,92,93, &end # # chirality for residue 6 atoms: CB CD1 CD2 HG &rst iat=91,96,100,95, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=87,104,90,91, &end # # chirality for residue 7 atoms: CA CG1 CG2 HB &rst iat=108,112,116,111, &end # # chirality for residue 7 atoms: N C HA CB &rst iat=106,120,109,110, &end # # chirality for residue 8 atoms: CA CG1 CG2 HB &rst iat=124,128,132,127, &end # # chirality for residue 8 atoms: N C HA CB &rst iat=122,136,125,126, &end # # chirality for residue 9 atoms: CA SG HB2 HB3 &rst iat=140,145,143,144, &end # # chirality for residue 9 atoms: N C HA CB &rst iat=138,147,141,142, &end # # chirality for residue 10 atoms: CA CG1 CG2 HB &rst iat=151,155,159,154, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=149,163,152,153, &end # # chirality for residue 11 atoms: N C HA2 HA3 &rst iat=165,170,168,169, &end # # chirality for residue 12 atoms: CA CG HB2 HB3 &rst iat=174,179,177,178, &end # # chirality for residue 12 atoms: N C HA CB &rst iat=172,184,175,176, &end # # chirality for residue 13 atoms: CA CG2 CG1 HB &rst iat=188,192,196,191, &end # # chirality for residue 13 atoms: CB CD1 HG12 HG13 &rst iat=190,199,197,198, &end # # chirality for residue 13 atoms: N C HA CB &rst iat=186,203,189,190, &end # # chirality for residue 14 atoms: CA SG HB2 HB3 &rst iat=207,212,210,211, &end # # chirality for residue 14 atoms: N C HA CB &rst iat=205,214,208,209, &end # # chirality for residue 15 atoms: CA CG HB2 HB3 &rst iat=218,223,221,222, &end # # chirality for residue 15 atoms: CB CD HG2 HG3 &rst iat=220,226,224,225, &end # # chirality for residue 15 atoms: CG NE HD2 HD3 &rst iat=223,229,227,228, &end # # chirality for residue 15 atoms: N C HA CB &rst iat=216,238,219,220, &end # # chirality for residue 16 atoms: CA OG HB2 HB3 &rst iat=242,247,245,246, &end # # chirality for residue 16 atoms: N C HA CB &rst iat=240,249,243,244, &end # # chirality for residue 17 atoms: CA CG HB2 HB3 &rst iat=261,255,259,260, &end # # chirality for residue 17 atoms: CB CD HG2 HG3 &rst iat=258,252,256,257, &end # # chirality for residue 17 atoms: CG N HD2 HD3 &rst iat=255,251,253,254, &end # # chirality for residue 17 atoms: N C HA CB &rst iat=251,263,262,258, &end # # chirality for residue 18 atoms: CA CG2 OG1 HB &rst iat=267,271,275,270, &end # # chirality for residue 18 atoms: N C HA CB &rst iat=265,277,268,269, &end # # chirality for residue 19 atoms: N C HA CB &rst iat=279,287,282,283, &end # # chirality for residue 20 atoms: CA CG HB2 HB3 &rst iat=291,296,294,295, &end # # chirality for residue 20 atoms: CB CD HG2 HG3 &rst iat=293,299,297,298, &end # # chirality for residue 20 atoms: N C HA CB &rst iat=289,302,292,293, &end # # chirality for residue 21 atoms: CA CG HB2 HB3 &rst iat=306,311,309,310, &end # # chirality for residue 21 atoms: CB CD HG2 HG3 &rst iat=308,314,312,313, &end # # chirality for residue 21 atoms: CG NE HD2 HD3 &rst iat=311,317,315,316, &end # # chirality for residue 21 atoms: N C HA CB &rst iat=304,326,307,308, &end # # chirality for residue 22 atoms: CA CG HB2 HB3 &rst iat=330,335,333,334, &end # # chirality for residue 22 atoms: CB CD1 CD2 HG &rst iat=332,337,341,336, &end # # chirality for residue 22 atoms: N C HA CB &rst iat=328,345,331,332, &end # # chirality for residue 23 atoms: CA CG HB2 HB3 &rst iat=349,354,352,353, &end # # chirality for residue 23 atoms: CB CD1 CD2 HG &rst iat=351,356,360,355, &end # # chirality for residue 23 atoms: N C HA CB &rst iat=347,364,350,351, &end # # chirality for residue 24 atoms: CA CG HB2 HB3 &rst iat=368,373,371,372, &end # # chirality for residue 24 atoms: CB CD HG2 HG3 &rst iat=370,376,374,375, &end # # chirality for residue 24 atoms: N C HA CB &rst iat=366,381,369,370, &end # # chirality for residue 25 atoms: CA CG HB2 HB3 &rst iat=385,390,388,389, &end # # chirality for residue 25 atoms: CB CD HG2 HG3 &rst iat=387,393,391,392, &end # # chirality for residue 25 atoms: CG NE HD2 HD3 &rst iat=390,396,394,395, &end # # chirality for residue 25 atoms: N C HA CB &rst iat=383,405,386,387, &end # # chirality for residue 26 atoms: CA CG HB2 HB3 &rst iat=409,414,412,413, &end # # chirality for residue 26 atoms: N C HA CB &rst iat=407,426,410,411, &end # # chirality for residue 27 atoms: CA CG HB2 HB3 &rst iat=430,435,433,434, &end # # chirality for residue 27 atoms: N C HA CB &rst iat=428,443,431,432, &end # # chirality for residue 28 atoms: CA CG HB2 HB3 &rst iat=455,449,453,454, &end # # chirality for residue 28 atoms: CB CD HG2 HG3 &rst iat=452,446,450,451, &end # # chirality for residue 28 atoms: CG N HD2 HD3 &rst iat=449,445,447,448, &end # # chirality for residue 28 atoms: N C HA CB &rst iat=445,457,456,452, &end # # chirality for residue 29 atoms: CA CG HB2 HB3 &rst iat=461,466,464,465, &end # # chirality for residue 29 atoms: CB CD HG2 HG3 &rst iat=463,469,467,468, &end # # chirality for residue 29 atoms: N C HA CB &rst iat=459,472,462,463, &end # # chirality for residue 30 atoms: CA CG HB2 HB3 &rst iat=476,481,479,480, &end # # chirality for residue 30 atoms: CB CD1 CD2 HG &rst iat=478,483,487,482, &end # # chirality for residue 30 atoms: N C HA CB &rst iat=474,491,477,478, &end # # chirality for residue 31 atoms: CA CG HB2 HB3 &rst iat=495,500,498,499, &end # # chirality for residue 31 atoms: CB CD HG2 HG3 &rst iat=497,503,501,502, &end # # chirality for residue 31 atoms: CD NZ HE2 HE3 &rst iat=503,509,507,508, &end # # chirality for residue 31 atoms: CG CE HD2 HD3 &rst iat=500,506,504,505, &end # # chirality for residue 31 atoms: N C HA CB &rst iat=493,513,496,497, &end # # chirality for residue 32 atoms: CA CG1 CG2 HB &rst iat=517,521,525,520, &end # # chirality for residue 32 atoms: N C HA CB &rst iat=515,529,518,519, &end # # chirality for residue 33 atoms: CA CG HB2 HB3 &rst iat=533,538,536,537, &end # # chirality for residue 33 atoms: CB CD HG2 HG3 &rst iat=535,541,539,540, &end # # chirality for residue 33 atoms: N C HA CB &rst iat=531,544,534,535, &end # # chirality for residue 34 atoms: CA OG HB2 HB3 &rst iat=548,553,551,552, &end # # chirality for residue 34 atoms: N C HA CB &rst iat=546,555,549,550, &end # # chirality for residue 35 atoms: N C HA CB &rst iat=557,565,560,561, &end # # chirality for residue 36 atoms: N C HA2 HA3 &rst iat=567,572,570,571, &end # # chirality for residue 37 atoms: CA CG HB2 HB3 &rst iat=576,581,579,580, &end # # chirality for residue 37 atoms: CB CD1 CD2 HG &rst iat=578,583,587,582, &end # # chirality for residue 37 atoms: N C HA CB &rst iat=574,591,577,578, &end # # chirality for residue 38 atoms: N C HA2 HA3 &rst iat=593,598,596,597, &end # # chirality for residue 39 atoms: N C HA CB &rst iat=600,608,603,604, &end # # chirality for residue 40 atoms: CA CG HB2 HB3 &rst iat=612,617,615,616, &end # # chirality for residue 40 atoms: CB CD1 CD2 HG &rst iat=614,619,623,618, &end # # chirality for residue 40 atoms: N C HA CB &rst iat=610,627,613,614, &end # # chirality for residue 41 atoms: CA CG1 CG2 HB &rst iat=631,635,639,634, &end # # chirality for residue 41 atoms: N C HA CB &rst iat=629,643,632,633, &end # # chirality for residue 42 atoms: N C HA2 HA3 &rst iat=645,650,648,649, &end # # chirality for residue 43 atoms: CA CG HB2 HB3 &rst iat=654,659,657,658, &end # # chirality for residue 43 atoms: CB CD HG2 HG3 &rst iat=656,662,660,661, &end # # chirality for residue 43 atoms: CD NZ HE2 HE3 &rst iat=662,668,666,667, &end # # chirality for residue 43 atoms: CG CE HD2 HD3 &rst iat=659,665,663,664, &end # # chirality for residue 43 atoms: N C HA CB &rst iat=652,672,655,656, &end # # chirality for residue 44 atoms: N C HA2 HA3 &rst iat=674,679,677,678, &end # # chirality for residue 45 atoms: N C HA CB &rst iat=681,689,684,685, &end # # chirality for residue 46 atoms: CA CG HB2 HB3 &rst iat=693,698,696,697, &end # # chirality for residue 46 atoms: N C HA CB &rst iat=691,701,694,695, &end # # chirality for residue 47 atoms: CA CG HB2 HB3 &rst iat=713,707,711,712, &end # # chirality for residue 47 atoms: CB CD HG2 HG3 &rst iat=710,704,708,709, &end # # chirality for residue 47 atoms: CG N HD2 HD3 &rst iat=707,703,705,706, &end # # chirality for residue 47 atoms: N C HA CB &rst iat=703,715,714,710, &end # # chirality for residue 48 atoms: CA CG2 OG1 HB &rst iat=719,723,727,722, &end # # chirality for residue 48 atoms: N C HA CB &rst iat=717,729,720,721, &end # # chirality for residue 49 atoms: N C HA CB &rst iat=731,739,734,735, &end # # chirality for residue 50 atoms: CA CG2 CG1 HB &rst iat=743,747,751,746, &end # # chirality for residue 50 atoms: CB CD1 HG12 HG13 &rst iat=745,754,752,753, &end # # chirality for residue 50 atoms: N C HA CB &rst iat=741,758,744,745, &end # # chirality for residue 51 atoms: CA OG HB2 HB3 &rst iat=762,767,765,766, &end # # chirality for residue 51 atoms: N C HA CB &rst iat=760,769,763,764, &end # # chirality for residue 52 atoms: CA CG1 CG2 HB &rst iat=773,777,781,776, &end # # chirality for residue 52 atoms: N C HA CB &rst iat=771,785,774,775, &end # # chirality for residue 53 atoms: N C HA CB &rst iat=787,795,790,791, &end # # chirality for residue 54 atoms: N C HA CB &rst iat=797,805,800,801, &end # # chirality for residue 55 atoms: CA CG HB2 HB3 &rst iat=809,814,812,813, &end # # chirality for residue 55 atoms: CB CD HG2 HG3 &rst iat=811,817,815,816, &end # # chirality for residue 55 atoms: N C HA CB &rst iat=807,820,810,811, &end # # chirality for residue 56 atoms: CA CG HB2 HB3 &rst iat=824,829,827,828, &end # # chirality for residue 56 atoms: N C HA CB &rst iat=822,837,825,826, &end # # chirality for residue 57 atoms: CA CG HB2 HB3 &rst iat=841,846,844,845, &end # # chirality for residue 57 atoms: CB CD HG2 HG3 &rst iat=843,849,847,848, &end # # chirality for residue 57 atoms: N C HA CB &rst iat=839,854,842,843, &end # # chirality for residue 58 atoms: CA CG HB2 HB3 &rst iat=858,863,861,862, &end # # chirality for residue 58 atoms: CB CD1 CD2 HG &rst iat=860,865,869,864, &end # # chirality for residue 58 atoms: N C HA CB &rst iat=856,873,859,860, &end # # chirality for residue 59 atoms: CA OG HB2 HB3 &rst iat=877,882,880,881, &end # # chirality for residue 59 atoms: N C HA CB &rst iat=875,884,878,879, &end # # chirality for residue 60 atoms: CA CG HB2 HB3 &rst iat=888,893,891,892, &end # # chirality for residue 60 atoms: CB CD1 CD2 HG &rst iat=890,895,899,894, &end # # chirality for residue 60 atoms: N C HA CB &rst iat=886,903,889,890, &end # # chirality for residue 61 atoms: CA CG HB2 HB3 &rst iat=907,912,910,911, &end # # chirality for residue 61 atoms: CB CD HG2 HG3 &rst iat=909,915,913,914, &end # # chirality for residue 61 atoms: N C HA CB &rst iat=905,918,908,909, &end # # chirality for residue 62 atoms: N C HA2 HA3 &rst iat=920,925,923,924, &end # # chirality for residue 63 atoms: CA CG HB2 HB3 &rst iat=929,934,932,933, &end # # chirality for residue 63 atoms: N C HA CB &rst iat=927,942,930,931, &end # # chirality for residue 64 atoms: CA SG HB2 HB3 &rst iat=946,951,949,950, &end # # chirality for residue 64 atoms: N C HA CB &rst iat=944,953,947,948, &end # # chirality for residue 65 atoms: N C HA CB &rst iat=955,963,958,959, &end # # chirality for residue 66 atoms: CA CG HB2 HB3 &rst iat=967,972,970,971, &end # # chirality for residue 66 atoms: CB CD HG2 HG3 &rst iat=969,975,973,974, &end # # chirality for residue 66 atoms: CG NE HD2 HD3 &rst iat=972,978,976,977, &end # # chirality for residue 66 atoms: N C HA CB &rst iat=965,987,968,969, &end # # chirality for residue 67 atoms: CA CG HB2 HB3 &rst iat=991,996,994,995, &end # # chirality for residue 67 atoms: CB CD HG2 HG3 &rst iat=993,999,997,998, &end # # chirality for residue 67 atoms: N C HA CB &rst iat=989,1004,992,993, &end # # chirality for residue 68 atoms: CA CG2 CG1 HB &rst iat=1008,1012,1016,1011, &end # # chirality for residue 68 atoms: CB CD1 HG12 HG13 &rst iat=1010,1019,1017,1018, &end # # chirality for residue 68 atoms: N C HA CB &rst iat=1006,1023,1009,1010, &end # # chirality for residue 69 atoms: CA OG HB2 HB3 &rst iat=1027,1032,1030,1031, &end # # chirality for residue 69 atoms: N C HA CB &rst iat=1025,1034,1028,1029, &end # # chirality for residue 70 atoms: CA CG HB2 HB3 &rst iat=1038,1043,1041,1042, &end # # chirality for residue 70 atoms: CB CD HG2 HG3 &rst iat=1040,1046,1044,1045, &end # # chirality for residue 70 atoms: CG NE HD2 HD3 &rst iat=1043,1049,1047,1048, &end # # chirality for residue 70 atoms: N C HA CB &rst iat=1036,1058,1039,1040, &end # # chirality for residue 71 atoms: CA CG HB2 HB3 &rst iat=1062,1067,1065,1066, &end # # chirality for residue 71 atoms: CB CD HG2 HG3 &rst iat=1064,1070,1068,1069, &end # # chirality for residue 71 atoms: CG NE HD2 HD3 &rst iat=1067,1073,1071,1072, &end # # chirality for residue 71 atoms: N C HA CB &rst iat=1060,1082,1063,1064, &end # # chirality for residue 72 atoms: CA CG HB2 HB3 &rst iat=1086,1091,1089,1090, &end # # chirality for residue 72 atoms: CB CD1 CD2 HG &rst iat=1088,1093,1097,1092, &end # # chirality for residue 72 atoms: N C HA CB &rst iat=1084,1101,1087,1088, &end # # chirality for residue 73 atoms: CA SG HB2 HB3 &rst iat=1105,1110,1108,1109, &end # # chirality for residue 73 atoms: N C HA CB &rst iat=1103,1112,1106,1107, &end # # chirality for residue 74 atoms: CA CG HB2 HB3 &rst iat=1116,1121,1119,1120, &end # # chirality for residue 74 atoms: CB CD HG2 HG3 &rst iat=1118,1124,1122,1123, &end # # chirality for residue 74 atoms: CG NE HD2 HD3 &rst iat=1121,1127,1125,1126, &end # # chirality for residue 74 atoms: N C HA CB &rst iat=1114,1136,1117,1118, &end # # chirality for residue 75 atoms: CA CG HB2 HB3 &rst iat=1140,1145,1143,1144, &end # # chirality for residue 75 atoms: N C HA CB &rst iat=1138,1150,1141,1142, &end # # chirality for residue 76 atoms: CA CG HB2 HB3 &rst iat=1154,1159,1157,1158, &end # # chirality for residue 76 atoms: N C HA CB &rst iat=1152,1171,1155,1156, &end # # chirality for residue 77 atoms: CA CG HB2 HB3 &rst iat=1175,1180,1178,1179, &end # # chirality for residue 77 atoms: N C HA CB &rst iat=1173,1183,1176,1177, &end # # chirality for residue 78 atoms: CA CG HB2 HB3 &rst iat=1187,1192,1190,1191, &end # # chirality for residue 78 atoms: CB CD1 CD2 HG &rst iat=1189,1194,1198,1193, &end # # chirality for residue 78 atoms: N C HA CB &rst iat=1185,1202,1188,1189, &end # # chirality for residue 79 atoms: CA CG2 CG1 HB &rst iat=1206,1210,1214,1209, &end # # chirality for residue 79 atoms: CB CD1 HG12 HG13 &rst iat=1208,1217,1215,1216, &end # # chirality for residue 79 atoms: N C HA CB &rst iat=1204,1221,1207,1208, &end # # chirality for residue 80 atoms: CA CG HB2 HB3 &rst iat=1225,1230,1228,1229, &end # # chirality for residue 80 atoms: CB CD1 CD2 HG &rst iat=1227,1232,1236,1231, &end # # chirality for residue 80 atoms: N C HA CB &rst iat=1223,1240,1226,1227, &end # # chirality for residue 81 atoms: CA CG2 OG1 HB &rst iat=1244,1248,1252,1247, &end # # chirality for residue 81 atoms: N C HA CB &rst iat=1242,1254,1245,1246, &end # # chirality for residue 82 atoms: CA CG HB2 HB3 &rst iat=1258,1263,1261,1262, &end # # chirality for residue 82 atoms: CB SD HG2 HG3 &rst iat=1260,1266,1264,1265, &end # # chirality for residue 82 atoms: N C HA CB &rst iat=1256,1271,1259,1260, &end # # chirality for residue 83 atoms: CA CG HB2 HB3 &rst iat=1275,1280,1278,1279, &end # # chirality for residue 83 atoms: CB CD HG2 HG3 &rst iat=1277,1283,1281,1282, &end # # chirality for residue 83 atoms: N C HA CB &rst iat=1273,1286,1276,1277, &end # # chirality for residue 84 atoms: CA CG HB2 HB3 &rst iat=1290,1295,1293,1294, &end # # chirality for residue 84 atoms: CB CD HG2 HG3 &rst iat=1292,1298,1296,1297, &end # # chirality for residue 84 atoms: CD NZ HE2 HE3 &rst iat=1298,1304,1302,1303, &end # # chirality for residue 84 atoms: CG CE HD2 HD3 &rst iat=1295,1301,1299,1300, &end # # chirality for residue 84 atoms: N C HA CB &rst iat=1288,1308,1291,1292, &end # # chirality for residue 85 atoms: CA CG HB2 HB3 &rst iat=1312,1317,1315,1316, &end # # chirality for residue 85 atoms: CB CD HG2 HG3 &rst iat=1314,1320,1318,1319, &end # # chirality for residue 85 atoms: CG NE HD2 HD3 &rst iat=1317,1323,1321,1322, &end # # chirality for residue 85 atoms: N C HA CB &rst iat=1310,1332,1313,1314, &end # # chirality for residue 86 atoms: CA CG HB2 HB3 &rst iat=1336,1341,1339,1340, &end # # chirality for residue 86 atoms: N C HA CB &rst iat=1334,1349,1337,1338, &end # # chirality for residue 87 atoms: CA CG2 CG1 HB &rst iat=1353,1357,1361,1356, &end # # chirality for residue 87 atoms: CB CD1 HG12 HG13 &rst iat=1355,1364,1362,1363, &end # # chirality for residue 87 atoms: N C HA CB &rst iat=1351,1368,1354,1355, &end # # chirality for residue 88 atoms: CA CG HB2 HB3 &rst iat=1372,1377,1375,1376, &end # # chirality for residue 88 atoms: CB CD HG2 HG3 &rst iat=1374,1380,1378,1379, &end # # chirality for residue 88 atoms: N C HA CB &rst iat=1370,1383,1373,1374, &end # # chirality for residue 89 atoms: CA CG HB2 HB3 &rst iat=1387,1392,1390,1391, &end # # chirality for residue 89 atoms: CB CD HG2 HG3 &rst iat=1389,1395,1393,1394, &end # # chirality for residue 89 atoms: CG NE HD2 HD3 &rst iat=1392,1398,1396,1397, &end # # chirality for residue 89 atoms: N C HA CB &rst iat=1385,1407,1388,1389, &end # # chirality for residue 90 atoms: CA CG HB2 HB3 &rst iat=1411,1416,1414,1415, &end # # chirality for residue 90 atoms: CB CD1 CD2 HG &rst iat=1413,1418,1422,1417, &end # # chirality for residue 90 atoms: N C HA CB &rst iat=1409,1426,1412,1413, &end # # chirality for residue 91 atoms: CA SG HB2 HB3 &rst iat=1430,1435,1433,1434, &end # # chirality for residue 91 atoms: N C HA CB &rst iat=1428,1437,1431,1432, &end # # chirality for residue 92 atoms: CA CG HB2 HB3 &rst iat=1441,1446,1444,1445, &end # # chirality for residue 92 atoms: CB CD HG2 HG3 &rst iat=1443,1449,1447,1448, &end # # chirality for residue 92 atoms: N C HA CB &rst iat=1439,1452,1442,1443, &end # # chirality for residue 93 atoms: CA CG HB2 HB3 &rst iat=1456,1461,1459,1460, &end # # chirality for residue 93 atoms: CB SD HG2 HG3 &rst iat=1458,1464,1462,1463, &end # # chirality for residue 93 atoms: N C HA CB &rst iat=1454,1469,1457,1458, &end # # chirality for residue 94 atoms: N C HA CB &rst iat=1471,1479,1474,1475, &end # # chirality for residue 95 atoms: CA CG HB2 HB3 &rst iat=1491,1485,1489,1490, &end # # chirality for residue 95 atoms: CB CD HG2 HG3 &rst iat=1488,1482,1486,1487, &end # # chirality for residue 95 atoms: CG N HD2 HD3 &rst iat=1485,1481,1483,1484, &end # # chirality for residue 95 atoms: N C HA CB &rst iat=1481,1493,1492,1488, &end # # chirality for residue 96 atoms: CA CG HB2 HB3 &rst iat=1497,1502,1500,1501, &end # # chirality for residue 96 atoms: CB CD HG2 HG3 &rst iat=1499,1505,1503,1504, &end # # chirality for residue 96 atoms: N C HA CB &rst iat=1495,1508,1498,1499, &end # # chirality for residue 97 atoms: CA CG HB2 HB3 &rst iat=1512,1517,1515,1516, &end # # chirality for residue 97 atoms: CB SD HG2 HG3 &rst iat=1514,1520,1518,1519, &end # # chirality for residue 97 atoms: N C HA CB &rst iat=1510,1525,1513,1514, &end # # chirality for residue 98 atoms: CA CG HB2 HB3 &rst iat=1529,1534,1532,1533, &end # # chirality for residue 98 atoms: CB CD HG2 HG3 &rst iat=1531,1537,1535,1536, &end # # chirality for residue 98 atoms: CG NE HD2 HD3 &rst iat=1534,1540,1538,1539, &end # # chirality for residue 98 atoms: N C HA CB &rst iat=1527,1549,1530,1531, &end # # chirality for residue 99 atoms: N C HA2 HA3 &rst iat=1551,1556,1554,1555, &end # # chirality for residue 100 atoms: CA CG HB2 HB3 &rst iat=1560,1565,1563,1564, &end # # chirality for residue 100 atoms: CB CD HG2 HG3 &rst iat=1562,1568,1566,1567, &end # # chirality for residue 100 atoms: CD NZ HE2 HE3 &rst iat=1568,1574,1572,1573, &end # # chirality for residue 100 atoms: CG CE HD2 HD3 &rst iat=1565,1571,1569,1570, &end # # chirality for residue 100 atoms: N C HA CB &rst iat=1558,1578,1561,1562, &end # # chirality for residue 101 atoms: CA CG1 CG2 HB &rst iat=1582,1586,1590,1585, &end # # chirality for residue 101 atoms: N C HA CB &rst iat=1580,1594,1583,1584, &end # # chirality for residue 102 atoms: CA CG HB2 HB3 &rst iat=1598,1603,1601,1602, &end # # chirality for residue 102 atoms: CB SD HG2 HG3 &rst iat=1600,1606,1604,1605, &end # # chirality for residue 102 atoms: N C HA CB &rst iat=1596,1611,1599,1600, &end # # chirality for residue 103 atoms: CA CG HB2 HB3 &rst iat=1615,1620,1618,1619, &end # # chirality for residue 103 atoms: CB CD1 CD2 HG &rst iat=1617,1622,1626,1621, &end # # chirality for residue 103 atoms: N C HA CB &rst iat=1613,1630,1616,1617, &end # # chirality for residue 104 atoms: CA CG HB2 HB3 &rst iat=1634,1639,1637,1638, &end # # chirality for residue 104 atoms: N C HA CB &rst iat=1632,1650,1635,1636, &end # # chirality for residue 105 atoms: N C HA2 HA3 &rst iat=1652,1657,1655,1656, &end # # chirality for residue 106 atoms: CA CG HB2 HB3 &rst iat=1661,1666,1664,1665, &end # # chirality for residue 106 atoms: N C HA CB &rst iat=1659,1674,1662,1663, &end # # chirality for residue 107 atoms: CA CG HB2 HB3 &rst iat=1678,1683,1681,1682, &end # # chirality for residue 107 atoms: N C HA CB &rst iat=1676,1698,1679,1680, &end # # chirality for residue 108 atoms: CA CG HB2 HB3 &rst iat=1702,1707,1705,1706, &end # # chirality for residue 108 atoms: N C HA CB &rst iat=1700,1710,1703,1704, &end # # chirality for residue 109 atoms: CA CG HB2 HB3 &rst iat=1714,1719,1717,1718, &end # # chirality for residue 109 atoms: N C HA CB &rst iat=1712,1724,1715,1716, &end # # chirality for residue 110 atoms: CA CG HB2 HB3 &rst iat=1728,1733,1731,1732, &end # # chirality for residue 110 atoms: CB CD HG2 HG3 &rst iat=1730,1736,1734,1735, &end # # chirality for residue 110 atoms: N C HA CB &rst iat=1726,1739,1729,1730, &end # # chirality for residue 111 atoms: CA SG HB2 HB3 &rst iat=1743,1748,1746,1747, &end # # chirality for residue 111 atoms: N C HA CB &rst iat=1741,1750,1744,1745, &end # # chirality for residue 112 atoms: CA CG HB2 HB3 &rst iat=1754,1759,1757,1758, &end # # chirality for residue 112 atoms: CB CD HG2 HG3 &rst iat=1756,1762,1760,1761, &end # # chirality for residue 112 atoms: N C HA CB &rst iat=1752,1765,1755,1756, &end # # chirality for residue 113 atoms: CA CG2 CG1 HB &rst iat=1769,1773,1777,1772, &end # # chirality for residue 113 atoms: CB CD1 HG12 HG13 &rst iat=1771,1780,1778,1779, &end # # chirality for residue 113 atoms: N C HA CB &rst iat=1767,1784,1770,1771, &end # # chirality for residue 114 atoms: CA CG HB2 HB3 &rst iat=1796,1790,1794,1795, &end # # chirality for residue 114 atoms: CB CD HG2 HG3 &rst iat=1793,1787,1791,1792, &end # # chirality for residue 114 atoms: CG N HD2 HD3 &rst iat=1790,1786,1788,1789, &end # # chirality for residue 114 atoms: N C HA CB &rst iat=1786,1798,1797,1793, &end # # chirality for residue 115 atoms: CA CG HB2 HB3 &rst iat=1802,1807,1805,1806, &end # # chirality for residue 115 atoms: N C HA CB &rst iat=1800,1810,1803,1804, &end # # chirality for residue 116 atoms: CA CG HB2 HB3 &rst iat=1822,1816,1820,1821, &end # # chirality for residue 116 atoms: CB CD HG2 HG3 &rst iat=1819,1813,1817,1818, &end # # chirality for residue 116 atoms: CG N HD2 HD3 &rst iat=1816,1812,1814,1815, &end # # chirality for residue 116 atoms: N C HA CB &rst iat=1812,1824,1823,1819, &end # # chirality for residue 117 atoms: CA CG HB2 HB3 &rst iat=1828,1833,1831,1832, &end # # chirality for residue 117 atoms: N C HA CB &rst iat=1826,1845,1829,1830, &end # # chirality for residue 118 atoms: CA CG HB2 HB3 &rst iat=1849,1854,1852,1853, &end # # chirality for residue 118 atoms: CB CD HG2 HG3 &rst iat=1851,1857,1855,1856, &end # # chirality for residue 118 atoms: CG NE HD2 HD3 &rst iat=1854,1860,1858,1859, &end # # chirality for residue 118 atoms: N C HA CB &rst iat=1847,1869,1850,1851, &end # # chirality for residue 119 atoms: CA CG HB2 HB3 &rst iat=1873,1878,1876,1877, &end # # chirality for residue 119 atoms: CB CD HG2 HG3 &rst iat=1875,1881,1879,1880, &end # # chirality for residue 119 atoms: CD NZ HE2 HE3 &rst iat=1881,1887,1885,1886, &end # # chirality for residue 119 atoms: CG CE HD2 HD3 &rst iat=1878,1884,1882,1883, &end # # chirality for residue 119 atoms: N C HA CB &rst iat=1871,1891,1874,1875, &end # # chirality for residue 120 atoms: CA OG HB2 HB3 &rst iat=1895,1900,1898,1899, &end # # chirality for residue 120 atoms: N C HA CB &rst iat=1893,1902,1896,1897, &end # # chirality for residue 121 atoms: CA CG HB2 HB3 &rst iat=1906,1911,1909,1910, &end # # chirality for residue 121 atoms: CB CD HG2 HG3 &rst iat=1908,1914,1912,1913, &end # # chirality for residue 121 atoms: CG NE HD2 HD3 &rst iat=1911,1917,1915,1916, &end # # chirality for residue 121 atoms: N C HA CB &rst iat=1904,1926,1907,1908, &end # # chirality for residue 122 atoms: CA CG HB2 HB3 &rst iat=1930,1935,1933,1934, &end # # chirality for residue 122 atoms: CB CD HG2 HG3 &rst iat=1932,1938,1936,1937, &end # # chirality for residue 122 atoms: N C HA CB &rst iat=1928,1941,1931,1932, &end # # chirality for residue 123 atoms: CA CG2 OG1 HB &rst iat=1945,1949,1953,1948, &end # # chirality for residue 123 atoms: N C HA CB &rst iat=1943,1955,1946,1947, &end # # chirality for residue 124 atoms: CA CG HB2 HB3 &rst iat=1959,1964,1962,1963, &end # # chirality for residue 124 atoms: N C HA CB &rst iat=1957,1975,1960,1961, &end # # chirality for residue 125 atoms: N C HA CB &rst iat=1977,1985,1980,1981, &end # # chirality for residue 126 atoms: N C HA CB &rst iat=1987,1995,1990,1991, &end # # chirality for residue 127 atoms: CA CG1 CG2 HB &rst iat=1999,2003,2007,2002, &end # # chirality for residue 127 atoms: N C HA CB &rst iat=1997,2011,2000,2001, &end # # chirality for residue 128 atoms: CA CG HB2 HB3 &rst iat=2015,2020,2018,2019, &end # # chirality for residue 128 atoms: N C HA CB &rst iat=2013,2032,2016,2017, &end # # chirality for residue 129 atoms: CA CG2 OG1 HB &rst iat=2036,2040,2044,2039, &end # # chirality for residue 129 atoms: N C HA CB &rst iat=2034,2046,2037,2038, &end # # chirality for residue 130 atoms: CA CG HB2 HB3 &rst iat=2050,2055,2053,2054, &end # # chirality for residue 130 atoms: CB CD1 CD2 HG &rst iat=2052,2057,2061,2056, &end # # chirality for residue 130 atoms: N C HA CB &rst iat=2048,2065,2051,2052, &end # # chirality for residue 131 atoms: CA CG HB2 HB3 &rst iat=2069,2074,2072,2073, &end # # chirality for residue 131 atoms: CB CD1 CD2 HG &rst iat=2071,2076,2080,2075, &end # # chirality for residue 131 atoms: N C HA CB &rst iat=2067,2084,2070,2071, &end # # chirality for residue 132 atoms: CA CG HB2 HB3 &rst iat=2088,2093,2091,2092, &end # # chirality for residue 132 atoms: CB CD HG2 HG3 &rst iat=2090,2096,2094,2095, &end # # chirality for residue 132 atoms: N C HA CB &rst iat=2086,2099,2089,2090, &end # # chirality for residue 133 atoms: CA CG HB2 HB3 &rst iat=2103,2108,2106,2107, &end # # chirality for residue 133 atoms: CB CD HG2 HG3 &rst iat=2105,2111,2109,2110, &end # # chirality for residue 133 atoms: CG NE HD2 HD3 &rst iat=2108,2114,2112,2113, &end # # chirality for residue 133 atoms: N C HA CB &rst iat=2101,2123,2104,2105, &end # # chirality for residue 134 atoms: CA OG HB2 HB3 &rst iat=2127,2132,2130,2131, &end # # chirality for residue 134 atoms: N C HA CB &rst iat=2125,2134,2128,2129, &end # # chirality for residue 135 atoms: N C HA CB &rst iat=2136,2144,2139,2140, &end # # chirality for residue 136 atoms: CA CG HB2 HB3 &rst iat=2148,2153,2151,2152, &end # # chirality for residue 136 atoms: CB CD HG2 HG3 &rst iat=2150,2156,2154,2155, &end # # chirality for residue 136 atoms: CG NE HD2 HD3 &rst iat=2153,2159,2157,2158, &end # # chirality for residue 136 atoms: N C HA CB &rst iat=2146,2168,2149,2150, &end # # chirality for residue 137 atoms: CA CG HB2 HB3 &rst iat=2172,2177,2175,2176, &end # # chirality for residue 137 atoms: CB CD HG2 HG3 &rst iat=2174,2180,2178,2179, &end # # chirality for residue 137 atoms: N C HA CB &rst iat=2170,2185,2173,2174, &end # # chirality for residue 138 atoms: CA CG HB2 HB3 &rst iat=2189,2194,2192,2193, &end # # chirality for residue 138 atoms: N C HA CB &rst iat=2187,2209,2190,2191, &end # # chirality for residue 139 atoms: N C HA CB &rst iat=2211,2219,2214,2215, &end # # chirality for residue 140 atoms: CA CG HB2 HB3 &rst iat=2223,2228,2226,2227, &end # # chirality for residue 140 atoms: CB CD HG2 HG3 &rst iat=2225,2231,2229,2230, &end # # chirality for residue 140 atoms: N C HA CB &rst iat=2221,2236,2224,2225, &end # # chirality for residue 141 atoms: N C HA CB &rst iat=2238,2246,2241,2242, &end # # chirality for residue 142 atoms: CA CG HB2 HB3 &rst iat=2250,2255,2253,2254, &end # # chirality for residue 142 atoms: CB CD1 CD2 HG &rst iat=2252,2257,2261,2256, &end # # chirality for residue 142 atoms: N C HA CB &rst iat=2248,2265,2251,2252, &end # # chirality for residue 143 atoms: CA CG HB2 HB3 &rst iat=2269,2274,2272,2273, &end # # chirality for residue 143 atoms: N C HA CB &rst iat=2267,2279,2270,2271, &end # # chirality for residue 144 atoms: N C HA CB &rst iat=2281,2289,2284,2285, &end # # chirality for residue 145 atoms: CA CG HB2 HB3 &rst iat=2293,2298,2296,2297, &end # # chirality for residue 145 atoms: CB CD HG2 HG3 &rst iat=2295,2301,2299,2300, &end # # chirality for residue 145 atoms: N C HA CB &rst iat=2291,2304,2294,2295, &end # # chirality for residue 146 atoms: CA CG HB2 HB3 &rst iat=2308,2313,2311,2312, &end # # chirality for residue 146 atoms: CB CD HG2 HG3 &rst iat=2310,2316,2314,2315, &end # # chirality for residue 146 atoms: N C HA CB &rst iat=2306,2321,2309,2310, &end # # chirality for residue 147 atoms: CA CG1 CG2 HB &rst iat=2325,2329,2333,2328, &end # # chirality for residue 147 atoms: N C HA CB &rst iat=2323,2337,2326,2327, &end # # trans-omega constraint for residue 2 &rst iat=22,20,18,5, r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150., &end # # trans-omega constraint for residue 3 &rst iat=42,40,38,22, &end # # trans-omega constraint for residue 4 &rst iat=56,54,52,42, &end # # trans-omega constraint for residue 5 &rst iat=70,68,66,56, &end # # trans-omega constraint for residue 6 &rst iat=89,87,85,70, &end # # trans-omega constraint for residue 7 &rst iat=108,106,104,89, &end # # trans-omega constraint for residue 8 &rst iat=124,122,120,108, &end # # trans-omega constraint for residue 9 &rst iat=140,138,136,124, &end # # trans-omega constraint for residue 10 &rst iat=151,149,147,140, &end # # trans-omega constraint for residue 11 &rst iat=167,165,163,151, &end # # trans-omega constraint for residue 12 &rst iat=174,172,170,167, &end # # trans-omega constraint for residue 13 &rst iat=188,186,184,174, &end # # trans-omega constraint for residue 14 &rst iat=207,205,203,188, &end # # trans-omega constraint for residue 15 &rst iat=218,216,214,207, &end # # trans-omega constraint for residue 16 &rst iat=242,240,238,218, &end # # trans-omega constraint for residue 17 &rst iat=261,251,249,242, &end # # trans-omega constraint for residue 18 &rst iat=267,265,263,261, &end # # trans-omega constraint for residue 19 &rst iat=281,279,277,267, &end # # trans-omega constraint for residue 20 &rst iat=291,289,287,281, &end # # trans-omega constraint for residue 21 &rst iat=306,304,302,291, &end # # trans-omega constraint for residue 22 &rst iat=330,328,326,306, &end # # trans-omega constraint for residue 23 &rst iat=349,347,345,330, &end # # trans-omega constraint for residue 24 &rst iat=368,366,364,349, &end # # trans-omega constraint for residue 25 &rst iat=385,383,381,368, &end # # trans-omega constraint for residue 26 &rst iat=409,407,405,385, &end # # trans-omega constraint for residue 27 &rst iat=430,428,426,409, &end # # trans-omega constraint for residue 28 &rst iat=455,445,443,430, &end # # trans-omega constraint for residue 29 &rst iat=461,459,457,455, &end # # trans-omega constraint for residue 30 &rst iat=476,474,472,461, &end # # trans-omega constraint for residue 31 &rst iat=495,493,491,476, &end # # trans-omega constraint for residue 32 &rst iat=517,515,513,495, &end # # trans-omega constraint for residue 33 &rst iat=533,531,529,517, &end # # trans-omega constraint for residue 34 &rst iat=548,546,544,533, &end # # trans-omega constraint for residue 35 &rst iat=559,557,555,548, &end # # trans-omega constraint for residue 36 &rst iat=569,567,565,559, &end # # trans-omega constraint for residue 37 &rst iat=576,574,572,569, &end # # trans-omega constraint for residue 38 &rst iat=595,593,591,576, &end # # trans-omega constraint for residue 39 &rst iat=602,600,598,595, &end # # trans-omega constraint for residue 40 &rst iat=612,610,608,602, &end # # trans-omega constraint for residue 41 &rst iat=631,629,627,612, &end # # trans-omega constraint for residue 42 &rst iat=647,645,643,631, &end # # trans-omega constraint for residue 43 &rst iat=654,652,650,647, &end # # trans-omega constraint for residue 44 &rst iat=676,674,672,654, &end # # trans-omega constraint for residue 45 &rst iat=683,681,679,676, &end # # trans-omega constraint for residue 46 &rst iat=693,691,689,683, &end # # trans-omega constraint for residue 47 &rst iat=713,703,701,693, &end # # trans-omega constraint for residue 48 &rst iat=719,717,715,713, &end # # trans-omega constraint for residue 49 &rst iat=733,731,729,719, &end # # trans-omega constraint for residue 50 &rst iat=743,741,739,733, &end # # trans-omega constraint for residue 51 &rst iat=762,760,758,743, &end # # trans-omega constraint for residue 52 &rst iat=773,771,769,762, &end # # trans-omega constraint for residue 53 &rst iat=789,787,785,773, &end # # trans-omega constraint for residue 54 &rst iat=799,797,795,789, &end # # trans-omega constraint for residue 55 &rst iat=809,807,805,799, &end # # trans-omega constraint for residue 56 &rst iat=824,822,820,809, &end # # trans-omega constraint for residue 57 &rst iat=841,839,837,824, &end # # trans-omega constraint for residue 58 &rst iat=858,856,854,841, &end # # trans-omega constraint for residue 59 &rst iat=877,875,873,858, &end # # trans-omega constraint for residue 60 &rst iat=888,886,884,877, &end # # trans-omega constraint for residue 61 &rst iat=907,905,903,888, &end # # trans-omega constraint for residue 62 &rst iat=922,920,918,907, &end # # trans-omega constraint for residue 63 &rst iat=929,927,925,922, &end # # trans-omega constraint for residue 64 &rst iat=946,944,942,929, &end # # trans-omega constraint for residue 65 &rst iat=957,955,953,946, &end # # trans-omega constraint for residue 66 &rst iat=967,965,963,957, &end # # trans-omega constraint for residue 67 &rst iat=991,989,987,967, &end # # trans-omega constraint for residue 68 &rst iat=1008,1006,1004,991, &end # # trans-omega constraint for residue 69 &rst iat=1027,1025,1023,1008, &end # # trans-omega constraint for residue 70 &rst iat=1038,1036,1034,1027, &end # # trans-omega constraint for residue 71 &rst iat=1062,1060,1058,1038, &end # # trans-omega constraint for residue 72 &rst iat=1086,1084,1082,1062, &end # # trans-omega constraint for residue 73 &rst iat=1105,1103,1101,1086, &end # # trans-omega constraint for residue 74 &rst iat=1116,1114,1112,1105, &end # # trans-omega constraint for residue 75 &rst iat=1140,1138,1136,1116, &end # # trans-omega constraint for residue 76 &rst iat=1154,1152,1150,1140, &end # # trans-omega constraint for residue 77 &rst iat=1175,1173,1171,1154, &end # # trans-omega constraint for residue 78 &rst iat=1187,1185,1183,1175, &end # # trans-omega constraint for residue 79 &rst iat=1206,1204,1202,1187, &end # # trans-omega constraint for residue 80 &rst iat=1225,1223,1221,1206, &end # # trans-omega constraint for residue 81 &rst iat=1244,1242,1240,1225, &end # # trans-omega constraint for residue 82 &rst iat=1258,1256,1254,1244, &end # # trans-omega constraint for residue 83 &rst iat=1275,1273,1271,1258, &end # # trans-omega constraint for residue 84 &rst iat=1290,1288,1286,1275, &end # # trans-omega constraint for residue 85 &rst iat=1312,1310,1308,1290, &end # # trans-omega constraint for residue 86 &rst iat=1336,1334,1332,1312, &end # # trans-omega constraint for residue 87 &rst iat=1353,1351,1349,1336, &end # # trans-omega constraint for residue 88 &rst iat=1372,1370,1368,1353, &end # # trans-omega constraint for residue 89 &rst iat=1387,1385,1383,1372, &end # # trans-omega constraint for residue 90 &rst iat=1411,1409,1407,1387, &end # # trans-omega constraint for residue 91 &rst iat=1430,1428,1426,1411, &end # # trans-omega constraint for residue 92 &rst iat=1441,1439,1437,1430, &end # # trans-omega constraint for residue 93 &rst iat=1456,1454,1452,1441, &end # # trans-omega constraint for residue 94 &rst iat=1473,1471,1469,1456, &end # # trans-omega constraint for residue 95 &rst iat=1491,1481,1479,1473, &end # # trans-omega constraint for residue 96 &rst iat=1497,1495,1493,1491, &end # # trans-omega constraint for residue 97 &rst iat=1512,1510,1508,1497, &end # # trans-omega constraint for residue 98 &rst iat=1529,1527,1525,1512, &end # # trans-omega constraint for residue 99 &rst iat=1553,1551,1549,1529, &end # # trans-omega constraint for residue 100 &rst iat=1560,1558,1556,1553, &end # # trans-omega constraint for residue 101 &rst iat=1582,1580,1578,1560, &end # # trans-omega constraint for residue 102 &rst iat=1598,1596,1594,1582, &end # # trans-omega constraint for residue 103 &rst iat=1615,1613,1611,1598, &end # # trans-omega constraint for residue 104 &rst iat=1634,1632,1630,1615, &end # # trans-omega constraint for residue 105 &rst iat=1654,1652,1650,1634, &end # # trans-omega constraint for residue 106 &rst iat=1661,1659,1657,1654, &end # # trans-omega constraint for residue 107 &rst iat=1678,1676,1674,1661, &end # # trans-omega constraint for residue 108 &rst iat=1702,1700,1698,1678, &end # # trans-omega constraint for residue 109 &rst iat=1714,1712,1710,1702, &end # # trans-omega constraint for residue 110 &rst iat=1728,1726,1724,1714, &end # # trans-omega constraint for residue 111 &rst iat=1743,1741,1739,1728, &end # # trans-omega constraint for residue 112 &rst iat=1754,1752,1750,1743, &end # # trans-omega constraint for residue 113 &rst iat=1769,1767,1765,1754, &end # # trans-omega constraint for residue 114 &rst iat=1796,1786,1784,1769, &end # # trans-omega constraint for residue 115 &rst iat=1802,1800,1798,1796, &end # # trans-omega constraint for residue 116 &rst iat=1822,1812,1810,1802, &end # # trans-omega constraint for residue 117 &rst iat=1828,1826,1824,1822, &end # # trans-omega constraint for residue 118 &rst iat=1849,1847,1845,1828, &end # # trans-omega constraint for residue 119 &rst iat=1873,1871,1869,1849, &end # # trans-omega constraint for residue 120 &rst iat=1895,1893,1891,1873, &end # # trans-omega constraint for residue 121 &rst iat=1906,1904,1902,1895, &end # # trans-omega constraint for residue 122 &rst iat=1930,1928,1926,1906, &end # # trans-omega constraint for residue 123 &rst iat=1945,1943,1941,1930, &end # # trans-omega constraint for residue 124 &rst iat=1959,1957,1955,1945, &end # # trans-omega constraint for residue 125 &rst iat=1979,1977,1975,1959, &end # # trans-omega constraint for residue 126 &rst iat=1989,1987,1985,1979, &end # # trans-omega constraint for residue 127 &rst iat=1999,1997,1995,1989, &end # # trans-omega constraint for residue 128 &rst iat=2015,2013,2011,1999, &end # # trans-omega constraint for residue 129 &rst iat=2036,2034,2032,2015, &end # # trans-omega constraint for residue 130 &rst iat=2050,2048,2046,2036, &end # # trans-omega constraint for residue 131 &rst iat=2069,2067,2065,2050, &end # # trans-omega constraint for residue 132 &rst iat=2088,2086,2084,2069, &end # # trans-omega constraint for residue 133 &rst iat=2103,2101,2099,2088, &end # # trans-omega constraint for residue 134 &rst iat=2127,2125,2123,2103, &end # # trans-omega constraint for residue 135 &rst iat=2138,2136,2134,2127, &end # # trans-omega constraint for residue 136 &rst iat=2148,2146,2144,2138, &end # # trans-omega constraint for residue 137 &rst iat=2172,2170,2168,2148, &end # # trans-omega constraint for residue 138 &rst iat=2189,2187,2185,2172, &end # # trans-omega constraint for residue 139 &rst iat=2213,2211,2209,2189, &end # # trans-omega constraint for residue 140 &rst iat=2223,2221,2219,2213, &end # # trans-omega constraint for residue 141 &rst iat=2240,2238,2236,2223, &end # # trans-omega constraint for residue 142 &rst iat=2250,2248,2246,2240, &end # # trans-omega constraint for residue 143 &rst iat=2269,2267,2265,2250, &end # # trans-omega constraint for residue 144 &rst iat=2283,2281,2279,2269, &end # # trans-omega constraint for residue 145 &rst iat=2293,2291,2289,2283, &end # # trans-omega constraint for residue 146 &rst iat=2308,2306,2304,2293, &end # # trans-omega constraint for residue 147 &rst iat=2325,2323,2321,2308, &end ******************************************************************** angles rdc ******************************************************************** # N angles for residue 4 &rst iat= 55, 54, 52, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 55, 54, 56, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 5 &rst iat= 69, 68, 66, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 69, 68, 70, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 6 &rst iat= 88, 87, 85, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 88, 87, 89, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 7 &rst iat= 107, 106, 104, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 107, 106, 108, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 8 &rst iat= 123, 122, 120, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 123, 122, 124, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 9 &rst iat= 139, 138, 136, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 139, 138, 140, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 10 &rst iat= 150, 149, 147, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 150, 149, 151, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 11 &rst iat= 166, 165, 163, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 166, 165, 167, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 12 &rst iat= 173, 172, 170, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 173, 172, 174, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 15 &rst iat= 217, 216, 214, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 217, 216, 218, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 16 &rst iat= 241, 240, 238, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 241, 240, 242, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 18 &rst iat= 266, 265, 263, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 266, 265, 267, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 19 &rst iat= 280, 279, 277, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 280, 279, 281, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 20 &rst iat= 290, 289, 287, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 290, 289, 291, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 24 &rst iat= 367, 366, 364, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 367, 366, 368, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 26 &rst iat= 408, 407, 405, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 408, 407, 409, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 29 &rst iat= 460, 459, 457, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 460, 459, 461, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 31 &rst iat= 494, 493, 491, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 494, 493, 495, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 32 &rst iat= 516, 515, 513, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 516, 515, 517, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 33 &rst iat= 532, 531, 529, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 532, 531, 533, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 34 &rst iat= 547, 546, 544, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 547, 546, 548, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 35 &rst iat= 558, 557, 555, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 558, 557, 559, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 36 &rst iat= 568, 567, 565, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 568, 567, 569, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 37 &rst iat= 575, 574, 572, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 575, 574, 576, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 38 &rst iat= 594, 593, 591, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 594, 593, 595, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 39 &rst iat= 601, 600, 598, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 601, 600, 602, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 40 &rst iat= 611, 610, 608, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 611, 610, 612, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 41 &rst iat= 630, 629, 627, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 630, 629, 631, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 42 &rst iat= 646, 645, 643, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 646, 645, 647, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 43 &rst iat= 653, 652, 650, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 653, 652, 654, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 44 &rst iat= 675, 674, 672, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 675, 674, 676, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 45 &rst iat= 682, 681, 679, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 682, 681, 683, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 46 &rst iat= 692, 691, 689, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 692, 691, 693, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 48 &rst iat= 718, 717, 715, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 718, 717, 719, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 49 &rst iat= 732, 731, 729, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 732, 731, 733, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 52 &rst iat= 772, 771, 769, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 772, 771, 773, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 53 &rst iat= 788, 787, 785, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 788, 787, 789, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 54 &rst iat= 798, 797, 795, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 798, 797, 799, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 55 &rst iat= 808, 807, 805, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 808, 807, 809, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 57 &rst iat= 840, 839, 837, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 840, 839, 841, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 58 &rst iat= 857, 856, 854, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 857, 856, 858, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 60 &rst iat= 887, 886, 884, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 887, 886, 888, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 61 &rst iat= 906, 905, 903, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 906, 905, 907, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 62 &rst iat= 921, 920, 918, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 921, 920, 922, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 64 &rst iat= 945, 944, 942, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 945, 944, 946, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 65 &rst iat= 956, 955, 953, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 956, 955, 957, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 66 &rst iat= 966, 965, 963, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 966, 965, 967, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 67 &rst iat= 990, 989, 987, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 990, 989, 991, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 68 &rst iat= 1007, 1006, 1004, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1007, 1006, 1008, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 69 &rst iat= 1026, 1025, 1023, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1026, 1025, 1027, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 71 &rst iat= 1061, 1060, 1058, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1061, 1060, 1062, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 74 &rst iat= 1115, 1114, 1112, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1115, 1114, 1116, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 76 &rst iat= 1153, 1152, 1150, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1153, 1152, 1154, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 77 &rst iat= 1174, 1173, 1171, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1174, 1173, 1175, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 79 &rst iat= 1205, 1204, 1202, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1205, 1204, 1206, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 81 &rst iat= 1243, 1242, 1240, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1243, 1242, 1244, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 82 &rst iat= 1257, 1256, 1254, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1257, 1256, 1258, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 83 &rst iat= 1274, 1273, 1271, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1274, 1273, 1275, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 84 &rst iat= 1289, 1288, 1286, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1289, 1288, 1290, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 85 &rst iat= 1311, 1310, 1308, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1311, 1310, 1312, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 86 &rst iat= 1335, 1334, 1332, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1335, 1334, 1336, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 87 &rst iat= 1352, 1351, 1349, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1352, 1351, 1353, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 88 &rst iat= 1371, 1370, 1368, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1371, 1370, 1372, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 89 &rst iat= 1386, 1385, 1383, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1386, 1385, 1387, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 91 &rst iat= 1429, 1428, 1426, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1429, 1428, 1430, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 93 &rst iat= 1455, 1454, 1452, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1455, 1454, 1456, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 94 &rst iat= 1472, 1471, 1469, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1472, 1471, 1473, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 96 &rst iat= 1496, 1495, 1493, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1496, 1495, 1497, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 101 &rst iat= 1581, 1580, 1578, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1581, 1580, 1582, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 102 &rst iat= 1597, 1596, 1594, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1597, 1596, 1598, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 103 &rst iat= 1614, 1613, 1611, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1614, 1613, 1615, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 104 &rst iat= 1633, 1632, 1630, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1633, 1632, 1634, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 105 &rst iat= 1653, 1652, 1650, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1653, 1652, 1654, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 107 &rst iat= 1677, 1676, 1674, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1677, 1676, 1678, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 108 &rst iat= 1701, 1700, 1698, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1701, 1700, 1702, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 109 &rst iat= 1713, 1712, 1710, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1713, 1712, 1714, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 110 &rst iat= 1727, 1726, 1724, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1727, 1726, 1728, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 111 &rst iat= 1742, 1741, 1739, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1742, 1741, 1743, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 112 &rst iat= 1753, 1752, 1750, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1753, 1752, 1754, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 113 &rst iat= 1768, 1767, 1765, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1768, 1767, 1769, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 118 &rst iat= 1848, 1847, 1845, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1848, 1847, 1849, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 119 &rst iat= 1872, 1871, 1869, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1872, 1871, 1873, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 120 &rst iat= 1894, 1893, 1891, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1894, 1893, 1895, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 121 &rst iat= 1905, 1904, 1902, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1905, 1904, 1906, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 122 &rst iat= 1929, 1928, 1926, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1929, 1928, 1930, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 123 &rst iat= 1944, 1943, 1941, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1944, 1943, 1945, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 124 &rst iat= 1958, 1957, 1955, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1958, 1957, 1959, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 127 &rst iat= 1998, 1997, 1995, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 1998, 1997, 1999, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 128 &rst iat= 2014, 2013, 2011, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 2014, 2013, 2015, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 129 &rst iat= 2035, 2034, 2032, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 2035, 2034, 2036, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 132 &rst iat= 2087, 2086, 2084, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 2087, 2086, 2088, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 133 &rst iat= 2102, 2101, 2099, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 2102, 2101, 2103, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 135 &rst iat= 2137, 2136, 2134, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 2137, 2136, 2138, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 136 &rst iat= 2147, 2146, 2144, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 2147, 2146, 2148, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 138 &rst iat= 2188, 2187, 2185, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 2188, 2187, 2189, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 139 &rst iat= 2212, 2211, 2209, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 2212, 2211, 2213, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end # N angles for residue 141 &rst iat= 2239, 2238, 2236, 0, r1=110., r2=120., r3=120., r4=130., &end &rst iat= 2239, 2238, 2240, 0, r1=108., r2=118.04, r3=118.04, r4=128., &end
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