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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492130 |
2k3k   |
cing | 1-original | 6 | 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 = 100., rk3=100., &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: CB CD HG2 HG3 &rst iat=24,30,28,29, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=20,33,23,24, &end # # chirality for residue 3 atoms: CA CG HB2 HB3 &rst iat=37,42,40,41, &end # # chirality for residue 3 atoms: CB SD HG2 HG3 &rst iat=39,45,43,44, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=35,50,38,39, &end # # chirality for residue 4 atoms: CA CG HB2 HB3 &rst iat=54,59,57,58, &end # # chirality for residue 4 atoms: CB CD1 CD2 HG &rst iat=56,61,65,60, &end # # chirality for residue 4 atoms: N C HA CB &rst iat=52,69,55,56, &end # # chirality for residue 5 atoms: CA CG HB2 HB3 &rst iat=81,75,79,80, &end # # chirality for residue 5 atoms: CB CD HG2 HG3 &rst iat=78,72,76,77, &end # # chirality for residue 5 atoms: CG N HD2 HD3 &rst iat=75,71,73,74, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=71,83,82,78, &end # # chirality for residue 6 atoms: CA CG HB2 HB3 &rst iat=87,92,90,91, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=85,97,88,89, &end # # chirality for residue 7 atoms: CA CG HB2 HB3 &rst iat=101,106,104,105, &end # # chirality for residue 7 atoms: CB CD HG2 HG3 &rst iat=103,109,107,108, &end # # chirality for residue 7 atoms: N C HA CB &rst iat=99,114,102,103, &end # # chirality for residue 8 atoms: CA CG2 OG1 HB &rst iat=118,122,126,121, &end # # chirality for residue 8 atoms: N C HA CB &rst iat=116,128,119,120, &end # # chirality for residue 9 atoms: CA CG2 CG1 HB &rst iat=132,136,140,135, &end # # chirality for residue 9 atoms: CB CD1 HG12 HG13 &rst iat=134,143,141,142, &end # # chirality for residue 9 atoms: N C HA CB &rst iat=130,147,133,134, &end # # chirality for residue 10 atoms: CA CG HB2 HB3 &rst iat=151,156,154,155, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=149,168,152,153, &end # # chirality for residue 11 atoms: CA CG2 CG1 HB &rst iat=172,176,180,175, &end # # chirality for residue 11 atoms: CB CD1 HG12 HG13 &rst iat=174,183,181,182, &end # # chirality for residue 11 atoms: N C HA CB &rst iat=170,187,173,174, &end # # chirality for residue 12 atoms: CA CG HB2 HB3 &rst iat=191,196,194,195, &end # # chirality for residue 12 atoms: N C HA CB &rst iat=189,201,192,193, &end # # chirality for residue 13 atoms: CA CG HB2 HB3 &rst iat=205,210,208,209, &end # # chirality for residue 13 atoms: N C HA CB &rst iat=203,215,206,207, &end # # chirality for residue 14 atoms: CA CG HB2 HB3 &rst iat=219,224,222,223, &end # # chirality for residue 14 atoms: CB CD1 CD2 HG &rst iat=221,226,230,225, &end # # chirality for residue 14 atoms: N C HA CB &rst iat=217,234,220,221, &end # # chirality for residue 15 atoms: CA CG HB2 HB3 &rst iat=238,243,241,242, &end # # chirality for residue 15 atoms: N C HA CB &rst iat=236,248,239,240, &end # # chirality for residue 16 atoms: CA CG HB2 HB3 &rst iat=252,257,255,256, &end # # chirality for residue 16 atoms: CB CD HG2 HG3 &rst iat=254,260,258,259, &end # # chirality for residue 16 atoms: N C HA CB &rst iat=250,263,253,254, &end # # chirality for residue 17 atoms: CA CG HB2 HB3 &rst iat=267,272,270,271, &end # # chirality for residue 17 atoms: CB CD HG2 HG3 &rst iat=269,275,273,274, &end # # chirality for residue 17 atoms: CD NZ HE2 HE3 &rst iat=275,281,279,280, &end # # chirality for residue 17 atoms: CG CE HD2 HD3 &rst iat=272,278,276,277, &end # # chirality for residue 17 atoms: N C HA CB &rst iat=265,285,268,269, &end # # chirality for residue 18 atoms: CA CG2 CG1 HB &rst iat=289,293,297,292, &end # # chirality for residue 18 atoms: CB CD1 HG12 HG13 &rst iat=291,300,298,299, &end # # chirality for residue 18 atoms: N C HA CB &rst iat=287,304,290,291, &end # # chirality for residue 19 atoms: CA CG HB2 HB3 &rst iat=308,313,311,312, &end # # chirality for residue 19 atoms: CB CD HG2 HG3 &rst iat=310,316,314,315, &end # # chirality for residue 19 atoms: CD NZ HE2 HE3 &rst iat=316,322,320,321, &end # # chirality for residue 19 atoms: CG CE HD2 HD3 &rst iat=313,319,317,318, &end # # chirality for residue 19 atoms: N C HA CB &rst iat=306,326,309,310, &end # # chirality for residue 20 atoms: CA CG HB2 HB3 &rst iat=330,335,333,334, &end # # chirality for residue 20 atoms: CB CD HG2 HG3 &rst iat=332,338,336,337, &end # # chirality for residue 20 atoms: CD NZ HE2 HE3 &rst iat=338,344,342,343, &end # # chirality for residue 20 atoms: CG CE HD2 HD3 &rst iat=335,341,339,340, &end # # chirality for residue 20 atoms: N C HA CB &rst iat=328,348,331,332, &end # # chirality for residue 21 atoms: CA CG HB2 HB3 &rst iat=352,357,355,356, &end # # chirality for residue 21 atoms: CB CD HG2 HG3 &rst iat=354,360,358,359, &end # # chirality for residue 21 atoms: N C HA CB &rst iat=350,363,353,354, &end # # chirality for residue 22 atoms: CA CG HB2 HB3 &rst iat=367,372,370,371, &end # # chirality for residue 22 atoms: CB CD HG2 HG3 &rst iat=369,375,373,374, &end # # chirality for residue 22 atoms: N C HA CB &rst iat=365,378,368,369, &end # # chirality for residue 23 atoms: CA CG HB2 HB3 &rst iat=382,387,385,386, &end # # chirality for residue 23 atoms: CB CD1 CD2 HG &rst iat=384,389,393,388, &end # # chirality for residue 23 atoms: N C HA CB &rst iat=380,397,383,384, &end # # chirality for residue 24 atoms: CA CG HB2 HB3 &rst iat=401,406,404,405, &end # # chirality for residue 24 atoms: CB CD HG2 HG3 &rst iat=403,409,407,408, &end # # chirality for residue 24 atoms: CD NZ HE2 HE3 &rst iat=409,415,413,414, &end # # chirality for residue 24 atoms: CG CE HD2 HD3 &rst iat=406,412,410,411, &end # # chirality for residue 24 atoms: N C HA CB &rst iat=399,419,402,403, &end # # chirality for residue 25 atoms: CA CG HB2 HB3 &rst iat=423,428,426,427, &end # # chirality for residue 25 atoms: CB CD HG2 HG3 &rst iat=425,431,429,430, &end # # chirality for residue 25 atoms: CD NZ HE2 HE3 &rst iat=431,437,435,436, &end # # chirality for residue 25 atoms: CG CE HD2 HD3 &rst iat=428,434,432,433, &end # # chirality for residue 25 atoms: N C HA CB &rst iat=421,441,424,425, &end # # chirality for residue 26 atoms: CA OG HB2 HB3 &rst iat=445,450,448,449, &end # # chirality for residue 26 atoms: N C HA CB &rst iat=443,452,446,447, &end # # chirality for residue 27 atoms: CA CG HB2 HB3 &rst iat=456,461,459,460, &end # # chirality for residue 27 atoms: CB CD1 CD2 HG &rst iat=458,463,467,462, &end # # chirality for residue 27 atoms: N C HA CB &rst iat=454,471,457,458, &end # # chirality for residue 28 atoms: CA CG HB2 HB3 &rst iat=475,480,478,479, &end # # chirality for residue 28 atoms: N C HA CB &rst iat=473,492,476,477, &end # # chirality for residue 29 atoms: N C HA CB &rst iat=494,502,497,498, &end # # chirality for residue 30 atoms: CA CG2 CG1 HB &rst iat=506,510,514,509, &end # # chirality for residue 30 atoms: CB CD1 HG12 HG13 &rst iat=508,517,515,516, &end # # chirality for residue 30 atoms: N C HA CB &rst iat=504,521,507,508, &end # # chirality for residue 31 atoms: CA CG HB2 HB3 &rst iat=525,530,528,529, &end # # chirality for residue 31 atoms: N C HA CB &rst iat=523,541,526,527, &end # # chirality for residue 32 atoms: CA OG HB2 HB3 &rst iat=545,550,548,549, &end # # chirality for residue 32 atoms: N C HA CB &rst iat=543,552,546,547, &end # # chirality for residue 33 atoms: CA CG HB2 HB3 &rst iat=556,561,559,560, &end # # chirality for residue 33 atoms: CB CD HG2 HG3 &rst iat=558,564,562,563, &end # # chirality for residue 33 atoms: N C HA CB &rst iat=554,569,557,558, &end # # chirality for residue 34 atoms: CA CG HB2 HB3 &rst iat=573,578,576,577, &end # # chirality for residue 34 atoms: N C HA CB &rst iat=571,589,574,575, &end # # chirality for residue 35 atoms: N C HA2 HA3 &rst iat=591,596,594,595, &end # # chirality for residue 36 atoms: CA CG HB2 HB3 &rst iat=600,605,603,604, &end # # chirality for residue 36 atoms: CB CD HG2 HG3 &rst iat=602,608,606,607, &end # # chirality for residue 36 atoms: N C HA CB &rst iat=598,613,601,602, &end # # chirality for residue 37 atoms: CA CG2 CG1 HB &rst iat=617,621,625,620, &end # # chirality for residue 37 atoms: CB CD1 HG12 HG13 &rst iat=619,628,626,627, &end # # chirality for residue 37 atoms: N C HA CB &rst iat=615,632,618,619, &end # # chirality for residue 38 atoms: CA CG HB2 HB3 &rst iat=636,641,639,640, &end # # chirality for residue 38 atoms: CB CD1 CD2 HG &rst iat=638,643,647,642, &end # # chirality for residue 38 atoms: N C HA CB &rst iat=634,651,637,638, &end # # chirality for residue 39 atoms: CA CG HB2 HB3 &rst iat=655,660,658,659, &end # # chirality for residue 39 atoms: N C HA CB &rst iat=653,663,656,657, &end # # chirality for residue 40 atoms: CA CG2 CG1 HB &rst iat=667,671,675,670, &end # # chirality for residue 40 atoms: CB CD1 HG12 HG13 &rst iat=669,678,676,677, &end # # chirality for residue 40 atoms: N C HA CB &rst iat=665,682,668,669, &end # # chirality for residue 41 atoms: CA CG1 CG2 HB &rst iat=686,690,694,689, &end # # chirality for residue 41 atoms: N C HA CB &rst iat=684,698,687,688, &end # # chirality for residue 42 atoms: N C HA CB &rst iat=700,708,703,704, &end # # chirality for residue 43 atoms: CA CG HB2 HB3 &rst iat=712,717,715,716, &end # # chirality for residue 43 atoms: CB CD1 CD2 HG &rst iat=714,719,723,718, &end # # chirality for residue 43 atoms: N C HA CB &rst iat=710,727,713,714, &end # # chirality for residue 44 atoms: CA CG HB2 HB3 &rst iat=731,736,734,735, &end # # chirality for residue 44 atoms: CB CD HG2 HG3 &rst iat=733,739,737,738, &end # # chirality for residue 44 atoms: CD NZ HE2 HE3 &rst iat=739,745,743,744, &end # # chirality for residue 44 atoms: CG CE HD2 HD3 &rst iat=736,742,740,741, &end # # chirality for residue 44 atoms: N C HA CB &rst iat=729,749,732,733, &end # # chirality for residue 45 atoms: CA CG2 OG1 HB &rst iat=753,757,761,756, &end # # chirality for residue 45 atoms: N C HA CB &rst iat=751,763,754,755, &end # # chirality for residue 46 atoms: CA CG HB2 HB3 &rst iat=767,772,770,771, &end # # chirality for residue 46 atoms: CB CD1 CD2 HG &rst iat=769,774,778,773, &end # # chirality for residue 46 atoms: N C HA CB &rst iat=765,782,768,769, &end # # chirality for residue 47 atoms: CA CG HB2 HB3 &rst iat=786,791,789,790, &end # # chirality for residue 47 atoms: CB CD HG2 HG3 &rst iat=788,794,792,793, &end # # chirality for residue 47 atoms: CD NZ HE2 HE3 &rst iat=794,800,798,799, &end # # chirality for residue 47 atoms: CG CE HD2 HD3 &rst iat=791,797,795,796, &end # # chirality for residue 47 atoms: N C HA CB &rst iat=784,804,787,788, &end # # chirality for residue 48 atoms: CA CG HB2 HB3 &rst iat=808,813,811,812, &end # # chirality for residue 48 atoms: CB SD HG2 HG3 &rst iat=810,816,814,815, &end # # chirality for residue 48 atoms: N C HA CB &rst iat=806,821,809,810, &end # # chirality for residue 49 atoms: CA CG HB2 HB3 &rst iat=825,830,828,829, &end # # chirality for residue 49 atoms: CB CD HG2 HG3 &rst iat=827,833,831,832, &end # # chirality for residue 49 atoms: CG NE HD2 HD3 &rst iat=830,836,834,835, &end # # chirality for residue 49 atoms: N C HA CB &rst iat=823,845,826,827, &end # # chirality for residue 50 atoms: N C HA2 HA3 &rst iat=847,852,850,851, &end # # chirality for residue 51 atoms: CA CG HB2 HB3 &rst iat=856,861,859,860, &end # # chirality for residue 51 atoms: CB CD HG2 HG3 &rst iat=858,864,862,863, &end # # chirality for residue 51 atoms: N C HA CB &rst iat=854,869,857,858, &end # # chirality for residue 52 atoms: N C HA CB &rst iat=871,879,874,875, &end # # chirality for residue 53 atoms: CA CG HB2 HB3 &rst iat=883,888,886,887, &end # # chirality for residue 53 atoms: N C HA CB &rst iat=881,899,884,885, &end # # chirality for residue 54 atoms: CA CG1 CG2 HB &rst iat=903,907,911,906, &end # # chirality for residue 54 atoms: N C HA CB &rst iat=901,915,904,905, &end # # chirality for residue 55 atoms: CA CG2 CG1 HB &rst iat=919,923,927,922, &end # # chirality for residue 55 atoms: CB CD1 HG12 HG13 &rst iat=921,930,928,929, &end # # chirality for residue 55 atoms: N C HA CB &rst iat=917,934,920,921, &end # # chirality for residue 56 atoms: CA CG HB2 HB3 &rst iat=938,943,941,942, &end # # chirality for residue 56 atoms: N C HA CB &rst iat=936,954,939,940, &end # # chirality for residue 57 atoms: CA CG HB2 HB3 &rst iat=958,963,961,962, &end # # chirality for residue 57 atoms: CB CD HG2 HG3 &rst iat=960,966,964,965, &end # # chirality for residue 57 atoms: CD NZ HE2 HE3 &rst iat=966,972,970,971, &end # # chirality for residue 57 atoms: CG CE HD2 HD3 &rst iat=963,969,967,968, &end # # chirality for residue 57 atoms: N C HA CB &rst iat=956,976,959,960, &end # # chirality for residue 58 atoms: CA CG HB2 HB3 &rst iat=980,985,983,984, &end # # chirality for residue 58 atoms: CB CD HG2 HG3 &rst iat=982,988,986,987, &end # # chirality for residue 58 atoms: N C HA CB &rst iat=978,991,981,982, &end # # chirality for residue 59 atoms: CA CG2 CG1 HB &rst iat=995,999,1003,998, &end # # chirality for residue 59 atoms: CB CD1 HG12 HG13 &rst iat=997,1006,1004,1005, &end # # chirality for residue 59 atoms: N C HA CB &rst iat=993,1010,996,997, &end # # chirality for residue 60 atoms: N C HA2 HA3 &rst iat=1012,1017,1015,1016, &end # # chirality for residue 61 atoms: CA OG HB2 HB3 &rst iat=1021,1026,1024,1025, &end # # chirality for residue 61 atoms: N C HA CB &rst iat=1019,1028,1022,1023, &end # # chirality for residue 62 atoms: N C HA CB &rst iat=1030,1038,1033,1034, &end # # chirality for residue 63 atoms: CA OG HB2 HB3 &rst iat=1042,1047,1045,1046, &end # # chirality for residue 63 atoms: N C HA CB &rst iat=1040,1049,1043,1044, &end # # chirality for residue 64 atoms: CA CG HB2 HB3 &rst iat=1053,1058,1056,1057, &end # # chirality for residue 64 atoms: N C HA CB &rst iat=1051,1063,1054,1055, &end # # chirality for residue 65 atoms: N C HA CB &rst iat=1065,1073,1068,1069, &end # # chirality for residue 66 atoms: CA CG HB2 HB3 &rst iat=1077,1082,1080,1081, &end # # chirality for residue 66 atoms: CB CD1 CD2 HG &rst iat=1079,1084,1088,1083, &end # # chirality for residue 66 atoms: N C HA CB &rst iat=1075,1092,1078,1079, &end # # chirality for residue 67 atoms: CA CG HB2 HB3 &rst iat=1096,1101,1099,1100, &end # # chirality for residue 67 atoms: CB CD HG2 HG3 &rst iat=1098,1104,1102,1103, &end # # chirality for residue 67 atoms: CG NE HD2 HD3 &rst iat=1101,1107,1105,1106, &end # # chirality for residue 67 atoms: N C HA CB &rst iat=1094,1116,1097,1098, &end # # chirality for residue 68 atoms: CA CG2 OG1 HB &rst iat=1120,1124,1128,1123, &end # # chirality for residue 68 atoms: N C HA CB &rst iat=1118,1130,1121,1122, &end # # chirality for residue 69 atoms: CA CG HB2 HB3 &rst iat=1134,1139,1137,1138, &end # # chirality for residue 69 atoms: CB SD HG2 HG3 &rst iat=1136,1142,1140,1141, &end # # chirality for residue 69 atoms: N C HA CB &rst iat=1132,1147,1135,1136, &end # # chirality for residue 70 atoms: CA CG HB2 HB3 &rst iat=1151,1156,1154,1155, &end # # chirality for residue 70 atoms: CB CD HG2 HG3 &rst iat=1153,1159,1157,1158, &end # # chirality for residue 70 atoms: N C HA CB &rst iat=1149,1164,1152,1153, &end # # chirality for residue 71 atoms: N C HA2 HA3 &rst iat=1166,1171,1169,1170, &end # # chirality for residue 72 atoms: CA CG HB2 HB3 &rst iat=1175,1180,1178,1179, &end # # chirality for residue 72 atoms: N C HA CB &rst iat=1173,1191,1176,1177, &end # # chirality for residue 73 atoms: CA CG HB2 HB3 &rst iat=1203,1197,1201,1202, &end # # chirality for residue 73 atoms: CB CD HG2 HG3 &rst iat=1200,1194,1198,1199, &end # # chirality for residue 73 atoms: CG N HD2 HD3 &rst iat=1197,1193,1195,1196, &end # # chirality for residue 73 atoms: N C HA CB &rst iat=1193,1205,1204,1200, &end # # chirality for residue 74 atoms: CA CG HB2 HB3 &rst iat=1209,1214,1212,1213, &end # # chirality for residue 74 atoms: N C HA CB &rst iat=1207,1225,1210,1211, &end # # chirality for residue 75 atoms: CA CG HB2 HB3 &rst iat=1229,1234,1232,1233, &end # # chirality for residue 75 atoms: N C HA CB &rst iat=1227,1246,1230,1231, &end # # chirality for residue 76 atoms: CA CG HB2 HB3 &rst iat=1250,1255,1253,1254, &end # # chirality for residue 76 atoms: N C HA CB &rst iat=1248,1258,1251,1252, &end # # chirality for residue 77 atoms: CA CG HB2 HB3 &rst iat=1262,1267,1265,1266, &end # # chirality for residue 77 atoms: CB CD HG2 HG3 &rst iat=1264,1270,1268,1269, &end # # chirality for residue 77 atoms: CD NZ HE2 HE3 &rst iat=1270,1276,1274,1275, &end # # chirality for residue 77 atoms: CG CE HD2 HD3 &rst iat=1267,1273,1271,1272, &end # # chirality for residue 77 atoms: N C HA CB &rst iat=1260,1280,1263,1264, &end # # chirality for residue 78 atoms: CA CG HB2 HB3 &rst iat=1292,1286,1290,1291, &end # # chirality for residue 78 atoms: CB CD HG2 HG3 &rst iat=1289,1283,1287,1288, &end # # chirality for residue 78 atoms: CG N HD2 HD3 &rst iat=1286,1282,1284,1285, &end # # chirality for residue 78 atoms: N C HA CB &rst iat=1282,1294,1293,1289, &end # # chirality for residue 79 atoms: CA CG HB2 HB3 &rst iat=1298,1303,1301,1302, &end # # chirality for residue 79 atoms: CB SD HG2 HG3 &rst iat=1300,1306,1304,1305, &end # # chirality for residue 79 atoms: N C HA CB &rst iat=1296,1311,1299,1300, &end # # chirality for residue 80 atoms: CA CG HB2 HB3 &rst iat=1315,1320,1318,1319, &end # # chirality for residue 80 atoms: CB CD HG2 HG3 &rst iat=1317,1323,1321,1322, &end # # chirality for residue 80 atoms: N C HA CB &rst iat=1313,1328,1316,1317, &end # # chirality for residue 81 atoms: CA CG2 CG1 HB &rst iat=1332,1336,1340,1335, &end # # chirality for residue 81 atoms: CB CD1 HG12 HG13 &rst iat=1334,1343,1341,1342, &end # # chirality for residue 81 atoms: N C HA CB &rst iat=1330,1347,1333,1334, &end # # chirality for residue 82 atoms: N C HA CB &rst iat=1349,1357,1352,1353, &end # # chirality for residue 83 atoms: CA CG HB2 HB3 &rst iat=1361,1366,1364,1365, &end # # chirality for residue 83 atoms: N C HA CB &rst iat=1359,1378,1362,1363, &end # # chirality for residue 84 atoms: CA OG HB2 HB3 &rst iat=1382,1387,1385,1386, &end # # chirality for residue 84 atoms: N C HA CB &rst iat=1380,1389,1383,1384, &end # # chirality for residue 85 atoms: CA CG HB2 HB3 &rst iat=1393,1398,1396,1397, &end # # chirality for residue 85 atoms: CB CD HG2 HG3 &rst iat=1395,1401,1399,1400, &end # # chirality for residue 85 atoms: CD NZ HE2 HE3 &rst iat=1401,1407,1405,1406, &end # # chirality for residue 85 atoms: CG CE HD2 HD3 &rst iat=1398,1404,1402,1403, &end # # chirality for residue 85 atoms: N C HA CB &rst iat=1391,1411,1394,1395, &end # # chirality for residue 86 atoms: CA OG HB2 HB3 &rst iat=1415,1420,1418,1419, &end # # chirality for residue 86 atoms: N C HA CB &rst iat=1413,1422,1416,1417, &end # # chirality for residue 87 atoms: CA CG HB2 HB3 &rst iat=1426,1431,1429,1430, &end # # chirality for residue 87 atoms: N C HA CB &rst iat=1424,1434,1427,1428, &end # # chirality for residue 88 atoms: CA OG HB2 HB3 &rst iat=1438,1443,1441,1442, &end # # chirality for residue 88 atoms: N C HA CB &rst iat=1436,1445,1439,1440, &end # # chirality for residue 89 atoms: CA CG HB2 HB3 &rst iat=1449,1454,1452,1453, &end # # chirality for residue 89 atoms: N C HA CB &rst iat=1447,1457,1450,1451, &end # # chirality for residue 90 atoms: CA CG2 CG1 HB &rst iat=1461,1465,1469,1464, &end # # chirality for residue 90 atoms: CB CD1 HG12 HG13 &rst iat=1463,1472,1470,1471, &end # # chirality for residue 90 atoms: N C HA CB &rst iat=1459,1476,1462,1463, &end # # chirality for residue 91 atoms: CA CG1 CG2 HB &rst iat=1480,1484,1488,1483, &end # # chirality for residue 91 atoms: N C HA CB &rst iat=1478,1492,1481,1482, &end # # chirality for residue 92 atoms: N C HA CB &rst iat=1494,1502,1497,1498, &end # # chirality for residue 93 atoms: CA CG HB2 HB3 &rst iat=1506,1511,1509,1510, &end # # chirality for residue 93 atoms: CB CD HG2 HG3 &rst iat=1508,1514,1512,1513, &end # # chirality for residue 93 atoms: CD NZ HE2 HE3 &rst iat=1514,1520,1518,1519, &end # # chirality for residue 93 atoms: CG CE HD2 HD3 &rst iat=1511,1517,1515,1516, &end # # chirality for residue 93 atoms: N C HA CB &rst iat=1504,1524,1507,1508, &end # # chirality for residue 94 atoms: CA CG2 CG1 HB &rst iat=1528,1532,1536,1531, &end # # chirality for residue 94 atoms: CB CD1 HG12 HG13 &rst iat=1530,1539,1537,1538, &end # # chirality for residue 94 atoms: N C HA CB &rst iat=1526,1543,1529,1530, &end # # chirality for residue 95 atoms: CA CG HB2 HB3 &rst iat=1547,1552,1550,1551, &end # # chirality for residue 95 atoms: CB CD HG2 HG3 &rst iat=1549,1555,1553,1554, &end # # chirality for residue 95 atoms: CD NZ HE2 HE3 &rst iat=1555,1561,1559,1560, &end # # chirality for residue 95 atoms: CG CE HD2 HD3 &rst iat=1552,1558,1556,1557, &end # # chirality for residue 95 atoms: N C HA CB &rst iat=1545,1565,1548,1549, &end # # chirality for residue 96 atoms: N C HA2 HA3 &rst iat=1567,1572,1570,1571, &end # # chirality for residue 97 atoms: CA CG2 OG1 HB &rst iat=1576,1580,1584,1579, &end # # chirality for residue 97 atoms: N C HA CB &rst iat=1574,1586,1577,1578, &end # # chirality for residue 98 atoms: CA CG HB2 HB3 &rst iat=1590,1595,1593,1594, &end # # chirality for residue 98 atoms: N C HA CB &rst iat=1588,1606,1591,1592, &end # # chirality for residue 99 atoms: CA CG HB2 HB3 &rst iat=1610,1615,1613,1614, &end # # chirality for residue 99 atoms: CB CD HG2 HG3 &rst iat=1612,1618,1616,1617, &end # # chirality for residue 99 atoms: CD NZ HE2 HE3 &rst iat=1618,1624,1622,1623, &end # # chirality for residue 99 atoms: CG CE HD2 HD3 &rst iat=1615,1621,1619,1620, &end # # chirality for residue 99 atoms: N C HA CB &rst iat=1608,1628,1611,1612, &end # # chirality for residue 100 atoms: CA CG HB2 HB3 &rst iat=1632,1637,1635,1636, &end # # chirality for residue 100 atoms: CB CD HG2 HG3 &rst iat=1634,1640,1638,1639, &end # # chirality for residue 100 atoms: N C HA CB &rst iat=1630,1643,1633,1634, &end # # chirality for residue 101 atoms: CA CG HB2 HB3 &rst iat=1647,1652,1650,1651, &end # # chirality for residue 101 atoms: CB CD HG2 HG3 &rst iat=1649,1655,1653,1654, &end # # chirality for residue 101 atoms: CG NE HD2 HD3 &rst iat=1652,1658,1656,1657, &end # # chirality for residue 101 atoms: N C HA CB &rst iat=1645,1667,1648,1649, &end # # chirality for residue 102 atoms: CA CG HB2 HB3 &rst iat=1679,1673,1677,1678, &end # # chirality for residue 102 atoms: CB CD HG2 HG3 &rst iat=1676,1670,1674,1675, &end # # chirality for residue 102 atoms: CG N HD2 HD3 &rst iat=1673,1669,1671,1672, &end # # chirality for residue 102 atoms: N C HA CB &rst iat=1669,1681,1680,1676, &end # # chirality for residue 103 atoms: CA CG HB2 HB3 &rst iat=1685,1690,1688,1689, &end # # chirality for residue 103 atoms: CB CD HG2 HG3 &rst iat=1687,1693,1691,1692, &end # # chirality for residue 103 atoms: CD NZ HE2 HE3 &rst iat=1693,1699,1697,1698, &end # # chirality for residue 103 atoms: CG CE HD2 HD3 &rst iat=1690,1696,1694,1695, &end # # chirality for residue 103 atoms: N C HA CB &rst iat=1683,1703,1686,1687, &end # # chirality for residue 104 atoms: CA CG HB2 HB3 &rst iat=1707,1712,1710,1711, &end # # chirality for residue 104 atoms: CB CD HG2 HG3 &rst iat=1709,1715,1713,1714, &end # # chirality for residue 104 atoms: CD NZ HE2 HE3 &rst iat=1715,1721,1719,1720, &end # # chirality for residue 104 atoms: CG CE HD2 HD3 &rst iat=1712,1718,1716,1717, &end # # chirality for residue 104 atoms: N C HA CB &rst iat=1705,1725,1708,1709, &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 #
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