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 |
|
|
628344 |
5or5   |
34172 | cing | 1-original | 4 | AMBER | stereochemistry | 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 = 200., rk3 = 200., &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 OG HB2 HB3 &rst iat=22,27,25,26, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=20,29,23,24, &end # # chirality for residue 3 atoms: CA CG HB2 HB3 &rst iat=33,38,36,37, &end # # chirality for residue 3 atoms: CB CD HG2 HG3 &rst iat=35,41,39,40, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=31,44,34,35, &end # # chirality for residue 4 atoms: CA CG HB2 HB3 &rst iat=48,53,51,52, &end # # chirality for residue 4 atoms: CB CD HG2 HG3 &rst iat=50,56,54,55, &end # # chirality for residue 4 atoms: N C HA CB &rst iat=46,61,49,50, &end # # chirality for residue 5 atoms: CA CG HB2 HB3 &rst iat=65,70,68,69, &end # # chirality for residue 5 atoms: CB CD1 CD2 HG &rst iat=67,72,76,71, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=63,80,66,67, &end # # chirality for residue 6 atoms: CA CG2 OG1 HB &rst iat=84,88,92,87, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=82,94,85,86, &end # # chirality for residue 7 atoms: CA CG HB2 HB3 &rst iat=98,103,101,102, &end # # chirality for residue 7 atoms: N C HA CB &rst iat=96,106,99,100, &end # # chirality for residue 8 atoms: CA CG HB2 HB3 &rst iat=110,115,113,114, &end # # chirality for residue 8 atoms: CB CD HG2 HG3 &rst iat=112,118,116,117, &end # # chirality for residue 8 atoms: N C HA CB &rst iat=108,123,111,112, &end # # chirality for residue 9 atoms: CA CG1 CG2 HB &rst iat=127,131,135,130, &end # # chirality for residue 9 atoms: N C HA CB &rst iat=125,139,128,129, &end # # chirality for residue 10 atoms: CA CG HB2 HB3 &rst iat=143,148,146,147, &end # # chirality for residue 10 atoms: CB CD1 CD2 HG &rst iat=145,150,154,149, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=141,158,144,145, &end # # chirality for residue 11 atoms: CA CG1 CG2 HB &rst iat=162,166,170,165, &end # # chirality for residue 11 atoms: N C HA CB &rst iat=160,174,163,164, &end # # chirality for residue 12 atoms: CA CG HB2 HB3 &rst iat=178,183,181,182, &end # # chirality for residue 12 atoms: CB CD HG2 HG3 &rst iat=180,186,184,185, &end # # chirality for residue 12 atoms: N C HA CB &rst iat=176,189,179,180, &end # # chirality for residue 13 atoms: CA CG HB2 HB3 &rst iat=193,198,196,197, &end # # chirality for residue 13 atoms: CB CD HG2 HG3 &rst iat=195,201,199,200, &end # # chirality for residue 13 atoms: CG NE HD2 HD3 &rst iat=198,204,202,203, &end # # chirality for residue 13 atoms: N C HA CB &rst iat=191,213,194,195, &end # # chirality for residue 14 atoms: CA CG1 CG2 HB &rst iat=217,221,225,220, &end # # chirality for residue 14 atoms: N C HA CB &rst iat=215,229,218,219, &end # # chirality for residue 15 atoms: CA CG HB2 HB3 &rst iat=233,238,236,237, &end # # chirality for residue 15 atoms: CB CD HG2 HG3 &rst iat=235,241,239,240, &end # # chirality for residue 15 atoms: N C HA CB &rst iat=231,246,234,235, &end # # chirality for residue 16 atoms: CA CG HB2 HB3 &rst iat=250,255,253,254, &end # # chirality for residue 16 atoms: CB CD HG2 HG3 &rst iat=252,258,256,257, &end # # chirality for residue 16 atoms: CD NZ HE2 HE3 &rst iat=258,264,262,263, &end # # chirality for residue 16 atoms: CG CE HD2 HD3 &rst iat=255,261,259,260, &end # # chirality for residue 16 atoms: N C HA CB &rst iat=248,268,251,252, &end # # chirality for residue 17 atoms: N C HA2 HA3 &rst iat=270,275,273,274, &end # # chirality for residue 18 atoms: CA CG HB2 HB3 &rst iat=279,284,282,283, &end # # chirality for residue 18 atoms: N C HA CB &rst iat=277,287,280,281, &end # # chirality for residue 19 atoms: CA CG HB2 HB3 &rst iat=291,296,294,295, &end # # chirality for residue 19 atoms: CB CD HG2 HG3 &rst iat=293,299,297,298, &end # # chirality for residue 19 atoms: N C HA CB &rst iat=289,304,292,293, &end # # chirality for residue 20 atoms: CA CG HB2 HB3 &rst iat=308,313,311,312, &end # # chirality for residue 20 atoms: CB CD HG2 HG3 &rst iat=310,316,314,315, &end # # chirality for residue 20 atoms: CD NZ HE2 HE3 &rst iat=316,322,320,321, &end # # chirality for residue 20 atoms: CG CE HD2 HD3 &rst iat=313,319,317,318, &end # # chirality for residue 20 atoms: N C HA CB &rst iat=306,326,309,310, &end # # chirality for residue 21 atoms: N C HA CB &rst iat=328,336,331,332, &end # # chirality for residue 22 atoms: CA CG HB2 HB3 &rst iat=340,345,343,344, &end # # chirality for residue 22 atoms: N C HA CB &rst iat=338,356,341,342, &end # # chirality for residue 23 atoms: CA CG HB2 HB3 &rst iat=360,365,363,364, &end # # chirality for residue 23 atoms: N C HA CB &rst iat=358,370,361,362, &end # # chirality for residue 24 atoms: CA CG HB2 HB3 &rst iat=374,379,377,378, &end # # chirality for residue 24 atoms: CB CD1 CD2 HG &rst iat=376,381,385,380, &end # # chirality for residue 24 atoms: N C HA CB &rst iat=372,389,375,376, &end # # chirality for residue 25 atoms: CA CG HB2 HB3 &rst iat=393,398,396,397, &end # # chirality for residue 25 atoms: CB CD1 CD2 HG &rst iat=395,400,404,399, &end # # chirality for residue 25 atoms: N C HA CB &rst iat=391,408,394,395, &end # # chirality for residue 26 atoms: CA CG1 CG2 HB &rst iat=412,416,420,415, &end # # chirality for residue 26 atoms: N C HA CB &rst iat=410,424,413,414, &end # # chirality for residue 27 atoms: CA CG1 CG2 HB &rst iat=428,432,436,431, &end # # chirality for residue 27 atoms: N C HA CB &rst iat=426,440,429,430, &end # # chirality for residue 28 atoms: CA CG HB2 HB3 &rst iat=444,449,447,448, &end # # chirality for residue 28 atoms: CB CD HG2 HG3 &rst iat=446,452,450,451, &end # # chirality for residue 28 atoms: CG NE HD2 HD3 &rst iat=449,455,453,454, &end # # chirality for residue 28 atoms: N C HA CB &rst iat=442,464,445,446, &end # # chirality for residue 29 atoms: CA CG HB2 HB3 &rst iat=468,473,471,472, &end # # chirality for residue 29 atoms: N C HA CB &rst iat=466,485,469,470, &end # # chirality for residue 30 atoms: CA CG HB2 HB3 &rst iat=489,494,492,493, &end # # chirality for residue 30 atoms: CB CD HG2 HG3 &rst iat=491,497,495,496, &end # # chirality for residue 30 atoms: N C HA CB &rst iat=487,502,490,491, &end # # chirality for residue 31 atoms: CA CG HB2 HB3 &rst iat=506,511,509,510, &end # # chirality for residue 31 atoms: N C HA CB &rst iat=504,519,507,508, &end # # chirality for residue 32 atoms: CA CG HB2 HB3 &rst iat=523,528,526,527, &end # # chirality for residue 32 atoms: CB CD HG2 HG3 &rst iat=525,531,529,530, &end # # chirality for residue 32 atoms: CD NZ HE2 HE3 &rst iat=531,537,535,536, &end # # chirality for residue 32 atoms: CG CE HD2 HD3 &rst iat=528,534,532,533, &end # # chirality for residue 32 atoms: N C HA CB &rst iat=521,541,524,525, &end # # chirality for residue 33 atoms: CA CG1 CG2 HB &rst iat=545,549,553,548, &end # # chirality for residue 33 atoms: N C HA CB &rst iat=543,557,546,547, &end # # chirality for residue 34 atoms: N C HA CB &rst iat=559,567,562,563, &end # # chirality for residue 35 atoms: CA OG HB2 HB3 &rst iat=571,576,574,575, &end # # chirality for residue 35 atoms: N C HA CB &rst iat=569,578,572,573, &end # # chirality for residue 36 atoms: CA CG HB2 HB3 &rst iat=582,587,585,586, &end # # chirality for residue 36 atoms: CB CD1 CD2 HG &rst iat=584,589,593,588, &end # # chirality for residue 36 atoms: N C HA CB &rst iat=580,597,583,584, &end # # chirality for residue 37 atoms: CA CG1 CG2 HB &rst iat=601,605,609,604, &end # # chirality for residue 37 atoms: N C HA CB &rst iat=599,613,602,603, &end # # chirality for residue 38 atoms: CA OG HB2 HB3 &rst iat=617,622,620,621, &end # # chirality for residue 38 atoms: N C HA CB &rst iat=615,624,618,619, &end # # chirality for residue 39 atoms: CA CG HB2 HB3 &rst iat=628,633,631,632, &end # # chirality for residue 39 atoms: CB CD HG2 HG3 &rst iat=630,636,634,635, &end # # chirality for residue 39 atoms: CG NE HD2 HD3 &rst iat=633,639,637,638, &end # # chirality for residue 39 atoms: N C HA CB &rst iat=626,648,629,630, &end # # chirality for residue 40 atoms: CA CG HB2 HB3 &rst iat=652,657,655,656, &end # # chirality for residue 40 atoms: N C HA CB &rst iat=650,669,653,654, &end # # chirality for residue 41 atoms: CA CG1 CG2 HB &rst iat=673,677,681,676, &end # # chirality for residue 41 atoms: N C HA CB &rst iat=671,685,674,675, &end # # chirality for residue 42 atoms: CA CG HB2 HB3 &rst iat=697,691,695,696, &end # # chirality for residue 42 atoms: CB CD HG2 HG3 &rst iat=694,688,692,693, &end # # chirality for residue 42 atoms: CG N HD2 HD3 &rst iat=691,687,689,690, &end # # chirality for residue 42 atoms: N C HA CB &rst iat=687,699,698,694, &end # # chirality for residue 43 atoms: CA OG HB2 HB3 &rst iat=703,708,706,707, &end # # chirality for residue 43 atoms: N C HA CB &rst iat=701,710,704,705, &end # # chirality for residue 44 atoms: N C HA2 HA3 &rst iat=712,717,715,716, &end # # chirality for residue 45 atoms: CA CG HB2 HB3 &rst iat=721,726,724,725, &end # # chirality for residue 45 atoms: N C HA CB &rst iat=719,729,722,723, &end # # chirality for residue 46 atoms: CA CG1 CG2 HB &rst iat=733,737,741,736, &end # # chirality for residue 46 atoms: N C HA CB &rst iat=731,745,734,735, &end # # chirality for residue 47 atoms: CA CG HB2 HB3 &rst iat=757,751,755,756, &end # # chirality for residue 47 atoms: CB CD HG2 HG3 &rst iat=754,748,752,753, &end # # chirality for residue 47 atoms: CG N HD2 HD3 &rst iat=751,747,749,750, &end # # chirality for residue 47 atoms: N C HA CB &rst iat=747,759,758,754, &end # # chirality for residue 48 atoms: CA CG HB2 HB3 &rst iat=763,768,766,767, &end # # chirality for residue 48 atoms: N C HA CB &rst iat=761,771,764,765, &end # # chirality for residue 49 atoms: CA CG1 CG2 HB &rst iat=775,779,783,778, &end # # chirality for residue 49 atoms: N C HA CB &rst iat=773,787,776,777, &end # # chirality for residue 50 atoms: CA CG1 CG2 HB &rst iat=791,795,799,794, &end # # chirality for residue 50 atoms: N C HA CB &rst iat=789,803,792,793, &end # # chirality for residue 51 atoms: CA CG HB2 HB3 &rst iat=807,812,810,811, &end # # chirality for residue 51 atoms: CB CD HG2 HG3 &rst iat=809,815,813,814, &end # # chirality for residue 51 atoms: N C HA CB &rst iat=805,820,808,809, &end # # chirality for residue 52 atoms: CA CG HB2 HB3 &rst iat=824,829,827,828, &end # # chirality for residue 52 atoms: CB CD HG2 HG3 &rst iat=826,832,830,831, &end # # chirality for residue 52 atoms: N C HA CB &rst iat=822,835,825,826, &end # # chirality for residue 53 atoms: N C HA CB &rst iat=837,845,840,841, &end # # chirality for residue 54 atoms: CA CG HB2 HB3 &rst iat=849,854,852,853, &end # # chirality for residue 54 atoms: N C HA CB &rst iat=847,865,850,851, &end # # chirality for residue 55 atoms: CA CG2 CG1 HB &rst iat=869,873,877,872, &end # # chirality for residue 55 atoms: CB CD1 HG12 HG13 &rst iat=871,880,878,879, &end # # chirality for residue 55 atoms: N C HA CB &rst iat=867,884,870,871, &end # # chirality for residue 56 atoms: CA CG HB2 HB3 &rst iat=888,893,891,892, &end # # chirality for residue 56 atoms: CB CD HG2 HG3 &rst iat=890,896,894,895, &end # # chirality for residue 56 atoms: CD NZ HE2 HE3 &rst iat=896,902,900,901, &end # # chirality for residue 56 atoms: CG CE HD2 HD3 &rst iat=893,899,897,898, &end # # chirality for residue 56 atoms: N C HA CB &rst iat=886,906,889,890, &end # # chirality for residue 57 atoms: N C HA CB &rst iat=908,916,911,912, &end # # chirality for residue 58 atoms: CA CG HB2 HB3 &rst iat=920,925,923,924, &end # # chirality for residue 58 atoms: N C HA CB &rst iat=918,937,921,922, &end # # chirality for residue 59 atoms: CA CG HB2 HB3 &rst iat=941,946,944,945, &end # # chirality for residue 59 atoms: CB CD HG2 HG3 &rst iat=943,949,947,948, &end # # chirality for residue 59 atoms: CG NE HD2 HD3 &rst iat=946,952,950,951, &end # # chirality for residue 59 atoms: N C HA CB &rst iat=939,961,942,943, &end # # chirality for residue 60 atoms: N C HA CB &rst iat=963,971,966,967, &end # # chirality for residue 61 atoms: CA CG HB2 HB3 &rst iat=975,980,978,979, &end # # chirality for residue 61 atoms: CB CD1 CD2 HG &rst iat=977,982,986,981, &end # # chirality for residue 61 atoms: N C HA CB &rst iat=973,990,976,977, &end # # chirality for residue 62 atoms: CA CG HB2 HB3 &rst iat=994,999,997,998, &end # # chirality for residue 62 atoms: N C HA CB &rst iat=992,1002,995,996, &end # # chirality for residue 63 atoms: CA OG HB2 HB3 &rst iat=1006,1011,1009,1010, &end # # chirality for residue 63 atoms: N C HA CB &rst iat=1004,1013,1007,1008, &end # # chirality for residue 64 atoms: CA CG HB2 HB3 &rst iat=1017,1022,1020,1021, &end # # chirality for residue 64 atoms: N C HA CB &rst iat=1015,1033,1018,1019, &end # # chirality for residue 65 atoms: CA CG HB2 HB3 &rst iat=1037,1042,1040,1041, &end # # chirality for residue 65 atoms: N C HA CB &rst iat=1035,1045,1038,1039, &end # # chirality for residue 66 atoms: CA CG2 CG1 HB &rst iat=1049,1053,1057,1052, &end # # chirality for residue 66 atoms: CB CD1 HG12 HG13 &rst iat=1051,1060,1058,1059, &end # # chirality for residue 66 atoms: N C HA CB &rst iat=1047,1064,1050,1051, &end # # chirality for residue 67 atoms: CA CG HB2 HB3 &rst iat=1068,1073,1071,1072, &end # # chirality for residue 67 atoms: N C HA CB &rst iat=1066,1078,1069,1070, &end # # chirality for residue 68 atoms: CA CG HB2 HB3 &rst iat=1082,1087,1085,1086, &end # # chirality for residue 68 atoms: CB CD HG2 HG3 &rst iat=1084,1090,1088,1089, &end # # chirality for residue 68 atoms: CG NE HD2 HD3 &rst iat=1087,1093,1091,1092, &end # # chirality for residue 68 atoms: N C HA CB &rst iat=1080,1102,1083,1084, &end # # chirality for residue 69 atoms: CA CG HB2 HB3 &rst iat=1106,1111,1109,1110, &end # # chirality for residue 69 atoms: CB CD HG2 HG3 &rst iat=1108,1114,1112,1113, &end # # chirality for residue 69 atoms: CD NZ HE2 HE3 &rst iat=1114,1120,1118,1119, &end # # chirality for residue 69 atoms: CG CE HD2 HD3 &rst iat=1111,1117,1115,1116, &end # # chirality for residue 69 atoms: N C HA CB &rst iat=1104,1124,1107,1108, &end # # chirality for residue 70 atoms: CA CG HB2 HB3 &rst iat=1128,1133,1131,1132, &end # # chirality for residue 70 atoms: N C HA CB &rst iat=1126,1144,1129,1130, &end # # chirality for residue 71 atoms: CA OG HB2 HB3 &rst iat=1148,1153,1151,1152, &end # # chirality for residue 71 atoms: N C HA CB &rst iat=1146,1155,1149,1150, &end # # chirality for residue 72 atoms: CA CG2 OG1 HB &rst iat=1159,1163,1167,1162, &end # # chirality for residue 72 atoms: N C HA CB &rst iat=1157,1169,1160,1161, &end # # chirality for residue 73 atoms: CA CG HB2 HB3 &rst iat=1173,1178,1176,1177, &end # # chirality for residue 73 atoms: N C HA CB &rst iat=1171,1193,1174,1175, &end # # chirality for residue 74 atoms: CA CG HB2 HB3 &rst iat=1197,1202,1200,1201, &end # # chirality for residue 74 atoms: CB CD1 CD2 HG &rst iat=1199,1204,1208,1203, &end # # chirality for residue 74 atoms: N C HA CB &rst iat=1195,1212,1198,1199, &end # # chirality for residue 75 atoms: CA CG HB2 HB3 &rst iat=1216,1221,1219,1220, &end # # chirality for residue 75 atoms: N C HA CB &rst iat=1214,1233,1217,1218, &end # # chirality for residue 76 atoms: CA CG HB2 HB3 &rst iat=1237,1242,1240,1241, &end # # chirality for residue 76 atoms: CB CD HG2 HG3 &rst iat=1239,1245,1243,1244, &end # # chirality for residue 76 atoms: CG NE HD2 HD3 &rst iat=1242,1248,1246,1247, &end # # chirality for residue 76 atoms: N C HA CB &rst iat=1235,1257,1238,1239, &end # # chirality for residue 77 atoms: CA CG2 CG1 HB &rst iat=1261,1265,1269,1264, &end # # chirality for residue 77 atoms: CB CD1 HG12 HG13 &rst iat=1263,1272,1270,1271, &end # # chirality for residue 77 atoms: N C HA CB &rst iat=1259,1276,1262,1263, &end # # chirality for residue 78 atoms: N C HA CB &rst iat=1278,1286,1281,1282, &end # # chirality for residue 79 atoms: CA CG1 CG2 HB &rst iat=1290,1294,1298,1293, &end # # chirality for residue 79 atoms: N C HA CB &rst iat=1288,1302,1291,1292, &end # # chirality for residue 80 atoms: CA CG HB2 HB3 &rst iat=1306,1311,1309,1310, &end # # chirality for residue 80 atoms: N C HA CB &rst iat=1304,1316,1307,1308, &end # # chirality for residue 81 atoms: CA CG2 OG1 HB &rst iat=1320,1324,1328,1323, &end # # chirality for residue 81 atoms: N C HA CB &rst iat=1318,1330,1321,1322, &end # # chirality for residue 82 atoms: N C HA CB &rst iat=1332,1340,1335,1336, &end # # chirality for residue 83 atoms: CA CG HB2 HB3 &rst iat=1344,1349,1347,1348, &end # # chirality for residue 83 atoms: CB CD HG2 HG3 &rst iat=1346,1352,1350,1351, &end # # chirality for residue 83 atoms: CD NZ HE2 HE3 &rst iat=1352,1358,1356,1357, &end # # chirality for residue 83 atoms: CG CE HD2 HD3 &rst iat=1349,1355,1353,1354, &end # # chirality for residue 83 atoms: N C HA CB &rst iat=1342,1362,1345,1346, &end # # chirality for residue 84 atoms: CA CG HB2 HB3 &rst iat=1366,1371,1369,1370, &end # # chirality for residue 84 atoms: N C HA CB &rst iat=1364,1376,1367,1368, &end # # chirality for residue 85 atoms: CA CG HB2 HB3 &rst iat=1380,1385,1383,1384, &end # # chirality for residue 85 atoms: N C HA CB &rst iat=1378,1397,1381,1382, &end # # chirality for residue 86 atoms: CA CG HB2 HB3 &rst iat=1401,1406,1404,1405, &end # # chirality for residue 86 atoms: CB CD1 CD2 HG &rst iat=1403,1408,1412,1407, &end # # chirality for residue 86 atoms: N C HA CB &rst iat=1399,1416,1402,1403, &end # # chirality for residue 87 atoms: CA CG1 CG2 HB &rst iat=1420,1424,1428,1423, &end # # chirality for residue 87 atoms: N C HA CB &rst iat=1418,1432,1421,1422, &end # # chirality for residue 88 atoms: N C HA CB &rst iat=1434,1442,1437,1438, &end # # chirality for residue 89 atoms: CA CG HB2 HB3 &rst iat=1446,1451,1449,1450, &end # # chirality for residue 89 atoms: CB CD HG2 HG3 &rst iat=1448,1454,1452,1453, &end # # chirality for residue 89 atoms: N C HA CB &rst iat=1444,1459,1447,1448, &end # # chirality for residue 90 atoms: N C HA2 HA3 &rst iat=1461,1466,1464,1465, &end # # chirality for residue 91 atoms: CA CG HB2 HB3 &rst iat=1470,1475,1473,1474, &end # # chirality for residue 91 atoms: CB CD HG2 HG3 &rst iat=1472,1478,1476,1477, &end # # chirality for residue 91 atoms: CG NE HD2 HD3 &rst iat=1475,1481,1479,1480, &end # # chirality for residue 91 atoms: N C HA CB &rst iat=1468,1490,1471,1472, &end # # chirality for residue 92 atoms: CA CG HB2 HB3 &rst iat=1494,1499,1497,1498, &end # # chirality for residue 92 atoms: CB CD HG2 HG3 &rst iat=1496,1502,1500,1501, &end # # chirality for residue 92 atoms: CG NE HD2 HD3 &rst iat=1499,1505,1503,1504, &end # # chirality for residue 92 atoms: N C HA CB &rst iat=1492,1514,1495,1496, &end # # chirality for residue 93 atoms: CA CG HB2 HB3 &rst iat=1518,1523,1521,1522, &end # # chirality for residue 93 atoms: CB CD1 CD2 HG &rst iat=1520,1525,1529,1524, &end # # chirality for residue 93 atoms: N C HA CB &rst iat=1516,1533,1519,1520, &end # # chirality for residue 94 atoms: CA CG HB2 HB3 &rst iat=1537,1542,1540,1541, &end # # chirality for residue 94 atoms: CB CD HG2 HG3 &rst iat=1539,1545,1543,1544, &end # # chirality for residue 94 atoms: N C HA CB &rst iat=1535,1548,1538,1539, &end # # chirality for residue 95 atoms: CA CG HB2 HB3 &rst iat=1552,1557,1555,1556, &end # # chirality for residue 95 atoms: CB CD1 CD2 HG &rst iat=1554,1559,1563,1558, &end # # chirality for residue 95 atoms: N C HA CB &rst iat=1550,1567,1553,1554, &end # # chirality for residue 96 atoms: C2' O4' N9 H1' &rst iat=1597,1577,1580,1579, &end # # chirality for residue 96 atoms: C3' C1' H2'1 H2'2 &rst iat=1595,1578,1598,1599, &end # # chirality for residue 96 atoms: O3' C2' C4' H3' &rst iat=1600,1597,1575,1596, &end # # chirality for residue 96 atoms: C3' C5' O4' H4' &rst iat=1595,1572,1577,1576, &end # # chirality for residue 96 atoms: C4' O5' H5'1 H5'2 &rst iat=1575,1571,1573,1574, &end # # chirality for residue 97 atoms: C2' O4' N1 H1' &rst iat=1629,1610,1613,1612, &end # # chirality for residue 97 atoms: C3' C1' H2'1 H2'2 &rst iat=1627,1611,1630,1631, &end # # chirality for residue 97 atoms: O3' C2' C4' H3' &rst iat=1632,1629,1608,1628, &end # # chirality for residue 97 atoms: C3' C5' O4' H4' &rst iat=1627,1605,1610,1609, &end # # chirality for residue 97 atoms: C4' O5' H5'1 H5'2 &rst iat=1608,1604,1606,1607, &end # # chirality for residue 98 atoms: C2' O4' N9 H1' &rst iat=1661,1642,1645,1644, &end # # chirality for residue 98 atoms: C3' C1' H2'1 H2'2 &rst iat=1659,1643,1662,1663, &end # # chirality for residue 98 atoms: O3' C2' C4' H3' &rst iat=1664,1661,1640,1660, &end # # chirality for residue 98 atoms: C3' C5' O4' H4' &rst iat=1659,1637,1642,1641, &end # # chirality for residue 98 atoms: C4' O5' H5'1 H5'2 &rst iat=1640,1636,1638,1639, &end # # chirality for residue 99 atoms: C2' O4' N9 H1' &rst iat=1693,1674,1677,1676, &end # # chirality for residue 99 atoms: C3' C1' H2'1 H2'2 &rst iat=1691,1675,1694,1695, &end # # chirality for residue 99 atoms: O3' C2' C4' H3' &rst iat=1696,1693,1672,1692, &end # # chirality for residue 99 atoms: C3' C5' O4' H4' &rst iat=1691,1669,1674,1673, &end # # chirality for residue 99 atoms: C4' O5' H5'1 H5'2 &rst iat=1672,1668,1670,1671, &end # # chirality for residue 100 atoms: C2' O4' N9 H1' &rst iat=1725,1706,1709,1708, &end # # chirality for residue 100 atoms: C3' C1' H2'1 H2'2 &rst iat=1723,1707,1726,1727, &end # # chirality for residue 100 atoms: O3' C2' C4' H3' &rst iat=1728,1725,1704,1724, &end # # chirality for residue 100 atoms: C3' C5' O4' H4' &rst iat=1723,1701,1706,1705, &end # # chirality for residue 100 atoms: C4' O5' H5'1 H5'2 &rst iat=1704,1700,1702,1703, &end # # chirality for residue 101 atoms: C2' O4' N9 H1' &rst iat=1757,1738,1741,1740, &end # # chirality for residue 101 atoms: C3' C1' H2'1 H2'2 &rst iat=1755,1739,1758,1759, &end # # chirality for residue 101 atoms: O3' C2' C4' H3' &rst iat=1760,1757,1736,1756, &end # # chirality for residue 101 atoms: C3' C5' O4' H4' &rst iat=1755,1733,1738,1737, &end # # chirality for residue 101 atoms: C4' O5' H5'1 H5'2 &rst iat=1736,1732,1734,1735, &end # # trans-omega constraint for residue 2 &rst iat=22,20,18,5, r1=150., r2=170., r3=190., r4=210., rk2 = 200., rk3=200., &end # # trans-omega constraint for residue 3 &rst iat=33,31,29,22, &end # # trans-omega constraint for residue 4 &rst iat=48,46,44,33, &end # # trans-omega constraint for residue 5 &rst iat=65,63,61,48, &end # # trans-omega constraint for residue 6 &rst iat=84,82,80,65, &end # # trans-omega constraint for residue 7 &rst iat=98,96,94,84, &end # # trans-omega constraint for residue 8 &rst iat=110,108,106,98, &end # # trans-omega constraint for residue 9 &rst iat=127,125,123,110, &end # # trans-omega constraint for residue 10 &rst iat=143,141,139,127, &end # # trans-omega constraint for residue 11 &rst iat=162,160,158,143, &end # # trans-omega constraint for residue 12 &rst iat=178,176,174,162, &end # # trans-omega constraint for residue 13 &rst iat=193,191,189,178, &end # # trans-omega constraint for residue 14 &rst iat=217,215,213,193, &end # # trans-omega constraint for residue 15 &rst iat=233,231,229,217, &end # # trans-omega constraint for residue 16 &rst iat=250,248,246,233, &end # # trans-omega constraint for residue 17 &rst iat=272,270,268,250, &end # # trans-omega constraint for residue 18 &rst iat=279,277,275,272, &end # # trans-omega constraint for residue 19 &rst iat=291,289,287,279, &end # # trans-omega constraint for residue 20 &rst iat=308,306,304,291, &end # # trans-omega constraint for residue 21 &rst iat=330,328,326,308, &end # # trans-omega constraint for residue 22 &rst iat=340,338,336,330, &end # # trans-omega constraint for residue 23 &rst iat=360,358,356,340, &end # # trans-omega constraint for residue 24 &rst iat=374,372,370,360, &end # # trans-omega constraint for residue 25 &rst iat=393,391,389,374, &end # # trans-omega constraint for residue 26 &rst iat=412,410,408,393, &end # # trans-omega constraint for residue 27 &rst iat=428,426,424,412, &end # # trans-omega constraint for residue 28 &rst iat=444,442,440,428, &end # # trans-omega constraint for residue 29 &rst iat=468,466,464,444, &end # # trans-omega constraint for residue 30 &rst iat=489,487,485,468, &end # # trans-omega constraint for residue 31 &rst iat=506,504,502,489, &end # # trans-omega constraint for residue 32 &rst iat=523,521,519,506, &end # # trans-omega constraint for residue 33 &rst iat=545,543,541,523, &end # # trans-omega constraint for residue 34 &rst iat=561,559,557,545, &end # # trans-omega constraint for residue 35 &rst iat=571,569,567,561, &end # # trans-omega constraint for residue 36 &rst iat=582,580,578,571, &end # # trans-omega constraint for residue 37 &rst iat=601,599,597,582, &end # # trans-omega constraint for residue 38 &rst iat=617,615,613,601, &end # # trans-omega constraint for residue 39 &rst iat=628,626,624,617, &end # # trans-omega constraint for residue 40 &rst iat=652,650,648,628, &end # # trans-omega constraint for residue 41 &rst iat=673,671,669,652, &end # # trans-omega constraint for residue 42 &rst iat=697,687,685,673, &end # # trans-omega constraint for residue 43 &rst iat=703,701,699,697, &end # # trans-omega constraint for residue 44 &rst iat=714,712,710,703, &end # # trans-omega constraint for residue 45 &rst iat=721,719,717,714, &end # # trans-omega constraint for residue 46 &rst iat=733,731,729,721, &end # # trans-omega constraint for residue 47 &rst iat=757,747,745,733, &end # # trans-omega constraint for residue 48 &rst iat=763,761,759,757, &end # # trans-omega constraint for residue 49 &rst iat=775,773,771,763, &end # # trans-omega constraint for residue 50 &rst iat=791,789,787,775, &end # # trans-omega constraint for residue 51 &rst iat=807,805,803,791, &end # # trans-omega constraint for residue 52 &rst iat=824,822,820,807, &end # # trans-omega constraint for residue 53 &rst iat=839,837,835,824, &end # # trans-omega constraint for residue 54 &rst iat=849,847,845,839, &end # # trans-omega constraint for residue 55 &rst iat=869,867,865,849, &end # # trans-omega constraint for residue 56 &rst iat=888,886,884,869, &end # # trans-omega constraint for residue 57 &rst iat=910,908,906,888, &end # # trans-omega constraint for residue 58 &rst iat=920,918,916,910, &end # # trans-omega constraint for residue 59 &rst iat=941,939,937,920, &end # # trans-omega constraint for residue 60 &rst iat=965,963,961,941, &end # # trans-omega constraint for residue 61 &rst iat=975,973,971,965, &end # # trans-omega constraint for residue 62 &rst iat=994,992,990,975, &end # # trans-omega constraint for residue 63 &rst iat=1006,1004,1002,994, &end # # trans-omega constraint for residue 64 &rst iat=1017,1015,1013,1006, &end # # trans-omega constraint for residue 65 &rst iat=1037,1035,1033,1017, &end # # trans-omega constraint for residue 66 &rst iat=1049,1047,1045,1037, &end # # trans-omega constraint for residue 67 &rst iat=1068,1066,1064,1049, &end # # trans-omega constraint for residue 68 &rst iat=1082,1080,1078,1068, &end # # trans-omega constraint for residue 69 &rst iat=1106,1104,1102,1082, &end # # trans-omega constraint for residue 70 &rst iat=1128,1126,1124,1106, &end # # trans-omega constraint for residue 71 &rst iat=1148,1146,1144,1128, &end # # trans-omega constraint for residue 72 &rst iat=1159,1157,1155,1148, &end # # trans-omega constraint for residue 73 &rst iat=1173,1171,1169,1159, &end # # trans-omega constraint for residue 74 &rst iat=1197,1195,1193,1173, &end # # trans-omega constraint for residue 75 &rst iat=1216,1214,1212,1197, &end # # trans-omega constraint for residue 76 &rst iat=1237,1235,1233,1216, &end # # trans-omega constraint for residue 77 &rst iat=1261,1259,1257,1237, &end # # trans-omega constraint for residue 78 &rst iat=1280,1278,1276,1261, &end # # trans-omega constraint for residue 79 &rst iat=1290,1288,1286,1280, &end # # trans-omega constraint for residue 80 &rst iat=1306,1304,1302,1290, &end # # trans-omega constraint for residue 81 &rst iat=1320,1318,1316,1306, &end # # trans-omega constraint for residue 82 &rst iat=1334,1332,1330,1320, &end # # trans-omega constraint for residue 83 &rst iat=1344,1342,1340,1334, &end # # trans-omega constraint for residue 84 &rst iat=1366,1364,1362,1344, &end # # trans-omega constraint for residue 85 &rst iat=1380,1378,1376,1366, &end # # trans-omega constraint for residue 86 &rst iat=1401,1399,1397,1380, &end # # trans-omega constraint for residue 87 &rst iat=1420,1418,1416,1401, &end # # trans-omega constraint for residue 88 &rst iat=1436,1434,1432,1420, &end # # trans-omega constraint for residue 89 &rst iat=1446,1444,1442,1436, &end # # trans-omega constraint for residue 90 &rst iat=1463,1461,1459,1446, &end # # trans-omega constraint for residue 91 &rst iat=1470,1468,1466,1463, &end # # trans-omega constraint for residue 92 &rst iat=1494,1492,1490,1470, &end # # trans-omega constraint for residue 93 &rst iat=1518,1516,1514,1494, &end # # trans-omega constraint for residue 94 &rst iat=1537,1535,1533,1518, &end # # trans-omega constraint for residue 95 &rst iat=1552,1550,1548,1537, &end
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