NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type subtype
2930 1cur cing 1-original 3 AMBER stereochemistry chirality


#  chirality and peptide constraints:
#
#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,6,4,5, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 20., rk3=20.,  &end
#
#  chirality for residue 2 atoms:  CA CG2 OG1 HB
 &rst iat=10,14,18,13, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=8,20,11,12, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=24,29,27,28, &end
#
#  chirality for residue 3 atoms:  CB CD1 CD2 HG
 &rst iat=26,31,35,30, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=22,39,25,26, &end
#
#  chirality for residue 5 atoms:  CA CG2 OG1 HB
 &rst iat=56,60,64,59, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=54,66,57,58, &end
#
#  chirality for residue 6 atoms:  CA CG2 OG1 HB
 &rst iat=70,74,78,73, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=68,80,71,72, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=84,89,87,88, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=82,104,85,86, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=108,113,111,112, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=110,116,114,115, &end
#
#  chirality for residue 8 atoms:  CD NZ HE2 HE3
 &rst iat=116,122,120,121, &end
#
#  chirality for residue 8 atoms:  CG CE HD2 HD3
 &rst iat=113,119,117,118, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=106,126,109,110, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=144,152,147,148, &end
#
#  chirality for residue 11 atoms:  CA CG2 OG1 HB
 &rst iat=156,160,164,159, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=154,166,157,158, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=170,175,173,174, &end
#
#  chirality for residue 12 atoms:  CB CD1 CD2 HG
 &rst iat=172,177,181,176, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=168,185,171,172, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=197,191,195,196, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=194,188,192,193, &end
#
#  chirality for residue 13 atoms:  CG N HD2 HD3
 &rst iat=191,187,189,190, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=187,199,198,194, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=203,208,206,207, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=205,211,209,210, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=201,216,204,205, &end
#
#  chirality for residue 15 atoms:  CA CG1 CG2 HB
 &rst iat=220,224,228,223, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=218,232,221,222, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=236,241,239,240, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=238,244,242,243, &end
#
#  chirality for residue 16 atoms:  CD NZ HE2 HE3
 &rst iat=244,250,248,249, &end
#
#  chirality for residue 16 atoms:  CG CE HD2 HD3
 &rst iat=241,247,245,246, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=234,254,237,238, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=256,264,259,260, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=268,273,271,272, &end
#
#  chirality for residue 18 atoms:  CB SD HG2 HG3
 &rst iat=270,276,274,275, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=266,283,269,270, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=287,292,290,291, &end
#
#  chirality for residue 19 atoms:  CB CD1 CD2 HG
 &rst iat=289,294,298,293, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=285,302,288,289, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=322,327,325,326, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=324,330,328,329, &end
#
#  chirality for residue 21 atoms:  CD NZ HE2 HE3
 &rst iat=330,336,334,335, &end
#
#  chirality for residue 21 atoms:  CG CE HD2 HD3
 &rst iat=327,333,331,332, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=320,340,323,324, &end
#
#  chirality for residue 23 atoms:  CA CG2 OG1 HB
 &rst iat=357,361,365,360, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=355,367,358,359, &end
#
#  chirality for residue 24 atoms:  N C HA2 HA3
 &rst iat=369,374,372,373, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=378,383,381,382, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=380,386,384,385, &end
#
#  chirality for residue 25 atoms:  CD NZ HE2 HE3
 &rst iat=386,392,390,391, &end
#
#  chirality for residue 25 atoms:  CG CE HD2 HD3
 &rst iat=383,389,387,388, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=376,396,379,380, &end
#
#  chirality for residue 26 atoms:  CA CG1 CG2 HB
 &rst iat=400,404,408,403, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=398,412,401,402, &end
#
#  chirality for residue 27 atoms:  CA OG HB2 HB3
 &rst iat=416,421,419,420, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=414,423,417,418, &end
#
#  chirality for residue 28 atoms:  N C HA2 HA3
 &rst iat=425,430,428,429, &end
#
#  chirality for residue 30 atoms:  CA CG2 OG1 HB
 &rst iat=447,451,455,450, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=445,457,448,449, &end
#
#  chirality for residue 31 atoms:  CA CG1 CG2 HB
 &rst iat=461,465,469,464, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=459,473,462,463, &end
#
#  chirality for residue 32 atoms:  CA CG2 OG1 HB
 &rst iat=477,481,485,480, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=475,487,478,479, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=491,496,494,495, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=489,508,492,493, &end
#
#  chirality for residue 34 atoms:  CA OG HB2 HB3
 &rst iat=512,517,515,516, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=510,519,513,514, &end
#
#  chirality for residue 35 atoms:  N C HA2 HA3
 &rst iat=521,526,524,525, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=530,535,533,534, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=532,538,536,537, &end
#
#  chirality for residue 36 atoms:  CD NZ HE2 HE3
 &rst iat=538,544,542,543, &end
#
#  chirality for residue 36 atoms:  CG CE HD2 HD3
 &rst iat=535,541,539,540, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=528,548,531,532, &end
#
#  chirality for residue 37 atoms:  CA CG2 OG1 HB
 &rst iat=552,556,560,555, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=550,562,553,554, &end
#
#  chirality for residue 38 atoms:  CA CG1 CG2 HB
 &rst iat=566,570,574,569, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=564,578,567,568, &end
#
#  chirality for residue 40 atoms:  CA CG1 CG2 HB
 &rst iat=600,604,608,603, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=598,612,601,602, &end
#
#  chirality for residue 41 atoms:  CA CG1 CG2 HB
 &rst iat=616,620,624,619, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=614,628,617,618, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=630,638,633,634, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=640,648,643,644, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=650,658,653,654, &end
#
#  chirality for residue 45 atoms:  CA CG1 CG2 HB
 &rst iat=662,666,670,665, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=660,674,663,664, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=678,683,681,682, &end
#
#  chirality for residue 46 atoms:  CB CD1 CD2 HG
 &rst iat=680,685,689,684, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=676,693,679,680, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=705,699,703,704, &end
#
#  chirality for residue 47 atoms:  CB CD HG2 HG3
 &rst iat=702,696,700,701, &end
#
#  chirality for residue 47 atoms:  CG N HD2 HD3
 &rst iat=699,695,697,698, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=695,707,706,702, &end
#
#  chirality for residue 48 atoms:  N C HA2 HA3
 &rst iat=709,714,712,713, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=718,723,721,722, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=716,734,719,720, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=746,740,744,745, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=743,737,741,742, &end
#
#  chirality for residue 50 atoms:  CG N HD2 HD3
 &rst iat=740,736,738,739, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=736,748,747,743, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=752,757,755,756, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=750,768,753,754, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=780,774,778,779, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=777,771,775,776, &end
#
#  chirality for residue 52 atoms:  CG N HD2 HD3
 &rst iat=774,770,772,773, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=770,782,781,777, &end
#
#  chirality for residue 53 atoms:  CA OG HB2 HB3
 &rst iat=786,791,789,790, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=784,793,787,788, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=797,802,800,801, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=795,813,798,799, &end
#
#  chirality for residue 56 atoms:  CA CG1 CG2 HB
 &rst iat=833,837,841,836, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=831,845,834,835, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=880,885,883,884, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=882,888,886,887, &end
#
#  chirality for residue 59 atoms:  CD NZ HE2 HE3
 &rst iat=888,894,892,893, &end
#
#  chirality for residue 59 atoms:  CG CE HD2 HD3
 &rst iat=885,891,889,890, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=878,898,881,882, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=902,907,905,906, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=904,910,908,909, &end
#
#  chirality for residue 60 atoms:  CD NZ HE2 HE3
 &rst iat=910,916,914,915, &end
#
#  chirality for residue 60 atoms:  CG CE HD2 HD3
 &rst iat=907,913,911,912, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=900,920,903,904, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=924,929,927,928, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=922,934,925,926, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=946,940,944,945, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=943,937,941,942, &end
#
#  chirality for residue 62 atoms:  CG N HD2 HD3
 &rst iat=940,936,938,939, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=936,948,947,943, &end
#
#  chirality for residue 63 atoms:  CA CG2 OG1 HB
 &rst iat=952,956,960,955, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=950,962,953,954, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=966,971,969,970, &end
#
#  chirality for residue 64 atoms:  CB CD1 CD2 HG
 &rst iat=968,973,977,972, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=964,981,967,968, &end
#
#  chirality for residue 66 atoms:  CA CG2 CG1 HB
 &rst iat=1001,1005,1009,1004, &end
#
#  chirality for residue 66 atoms:  CB CD1 HG12 HG13
 &rst iat=1003,1012,1010,1011, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=999,1016,1002,1003, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1028,1022,1026,1027, &end
#
#  chirality for residue 67 atoms:  CB CD HG2 HG3
 &rst iat=1025,1019,1023,1024, &end
#
#  chirality for residue 67 atoms:  CG N HD2 HD3
 &rst iat=1022,1018,1020,1021, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1018,1030,1029,1025, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1032,1040,1035,1036, &end
#
#  chirality for residue 69 atoms:  N C HA2 HA3
 &rst iat=1042,1047,1045,1046, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1049,1057,1052,1053, &end
#
#  chirality for residue 71 atoms:  CA CG2 OG1 HB
 &rst iat=1061,1065,1069,1064, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1059,1071,1062,1063, &end
#
#  chirality for residue 72 atoms:  CA CG1 CG2 HB
 &rst iat=1075,1079,1083,1078, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1073,1087,1076,1077, &end
#
#  chirality for residue 74 atoms:  CA CG1 CG2 HB
 &rst iat=1104,1108,1112,1107, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1102,1116,1105,1106, &end
#
#  chirality for residue 75 atoms:  CA CG2 OG1 HB
 &rst iat=1120,1124,1128,1123, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1118,1130,1121,1122, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1134,1139,1137,1138, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1132,1150,1135,1136, &end
#
#  chirality for residue 77 atoms:  CA CG2 CG1 HB
 &rst iat=1154,1158,1162,1157, &end
#
#  chirality for residue 77 atoms:  CB CD1 HG12 HG13
 &rst iat=1156,1165,1163,1164, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1152,1169,1155,1156, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1173,1178,1176,1177, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1171,1183,1174,1175, &end
#
#  chirality for residue 79 atoms:  CA CG2 OG1 HB
 &rst iat=1187,1191,1195,1190, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1185,1197,1188,1189, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1201,1206,1204,1205, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1199,1211,1202,1203, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1215,1220,1218,1219, &end
#
#  chirality for residue 81 atoms:  CB CD HG2 HG3
 &rst iat=1217,1223,1221,1222, &end
#
#  chirality for residue 81 atoms:  CD NZ HE2 HE3
 &rst iat=1223,1229,1227,1228, &end
#
#  chirality for residue 81 atoms:  CG CE HD2 HD3
 &rst iat=1220,1226,1224,1225, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1213,1233,1216,1217, &end
#
#  chirality for residue 82 atoms:  N C HA2 HA3
 &rst iat=1235,1240,1238,1239, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1244,1249,1247,1248, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1242,1260,1245,1246, &end
#
#  chirality for residue 84 atoms:  N C HA2 HA3
 &rst iat=1262,1267,1265,1266, &end
#
#  chirality for residue 86 atoms:  CA OG HB2 HB3
 &rst iat=1289,1294,1292,1293, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1287,1296,1290,1291, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1300,1305,1303,1304, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1298,1316,1301,1302, &end
#
#  chirality for residue 89 atoms:  CA CG2 CG1 HB
 &rst iat=1333,1337,1341,1336, &end
#
#  chirality for residue 89 atoms:  CB CD1 HG12 HG13
 &rst iat=1335,1344,1342,1343, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1331,1348,1334,1335, &end
#
#  chirality for residue 90 atoms:  CA CG2 OG1 HB
 &rst iat=1352,1356,1360,1355, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1350,1362,1353,1354, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1366,1371,1369,1370, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1368,1374,1372,1373, &end
#
#  chirality for residue 91 atoms:  CD NZ HE2 HE3
 &rst iat=1374,1380,1378,1379, &end
#
#  chirality for residue 91 atoms:  CG CE HD2 HD3
 &rst iat=1371,1377,1375,1376, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1364,1384,1367,1368, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1388,1393,1391,1392, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1390,1396,1394,1395, &end
#
#  chirality for residue 92 atoms:  CD NZ HE2 HE3
 &rst iat=1396,1402,1400,1401, &end
#
#  chirality for residue 92 atoms:  CG CE HD2 HD3
 &rst iat=1393,1399,1397,1398, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1386,1406,1389,1390, &end
#
#  chirality for residue 93 atoms:  N C HA2 HA3
 &rst iat=1408,1413,1411,1412, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1425,1419,1423,1424, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1422,1416,1420,1421, &end
#
#  chirality for residue 94 atoms:  CG N HD2 HD3
 &rst iat=1419,1415,1417,1418, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1415,1427,1426,1422, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1439,1433,1437,1438, &end
#
#  chirality for residue 95 atoms:  CB CD HG2 HG3
 &rst iat=1436,1430,1434,1435, &end
#
#  chirality for residue 95 atoms:  CG N HD2 HD3
 &rst iat=1433,1429,1431,1432, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1429,1441,1440,1436, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1445,1450,1448,1449, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1443,1462,1446,1447, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1464,1472,1467,1468, &end
#
#  chirality for residue 98 atoms:  CA CG1 CG2 HB
 &rst iat=1476,1480,1484,1479, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1474,1488,1477,1478, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1492,1497,1495,1496, &end
#
#  chirality for residue 99 atoms:  CB SD HG2 HG3
 &rst iat=1494,1500,1498,1499, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1490,1507,1493,1494, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1519,1513,1517,1518, &end
#
#  chirality for residue 100 atoms:  CB CD HG2 HG3
 &rst iat=1516,1510,1514,1515, &end
#
#  chirality for residue 100 atoms:  CG N HD2 HD3
 &rst iat=1513,1509,1511,1512, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1509,1521,1520,1516, &end
#
#  chirality for residue 101 atoms:  CA CG1 CG2 HB
 &rst iat=1525,1529,1533,1528, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1523,1537,1526,1527, &end
#
#  chirality for residue 102 atoms:  CA CG2 CG1 HB
 &rst iat=1541,1545,1549,1544, &end
#
#  chirality for residue 102 atoms:  CB CD1 HG12 HG13
 &rst iat=1543,1552,1550,1551, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1539,1556,1542,1543, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1581,1575,1579,1580, &end
#
#  chirality for residue 104 atoms:  CB CD HG2 HG3
 &rst iat=1578,1572,1576,1577, &end
#
#  chirality for residue 104 atoms:  CG N HD2 HD3
 &rst iat=1575,1571,1573,1574, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1571,1583,1582,1578, &end
#
#  chirality for residue 105 atoms:  CA CG2 CG1 HB
 &rst iat=1587,1591,1595,1590, &end
#
#  chirality for residue 105 atoms:  CB CD1 HG12 HG13
 &rst iat=1589,1598,1596,1597, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1585,1602,1588,1589, &end
#
#  chirality for residue 106 atoms:  CA CG1 CG2 HB
 &rst iat=1606,1610,1614,1609, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1604,1618,1607,1608, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1620,1628,1623,1624, &end
#
#  chirality for residue 108 atoms:  N C HA2 HA3
 &rst iat=1630,1635,1633,1634, &end
#
#  chirality for residue 109 atoms:  CA CG2 OG1 HB
 &rst iat=1639,1643,1647,1642, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1637,1649,1640,1641, &end
#
#  chirality for residue 110 atoms:  N C HA2 HA3
 &rst iat=1651,1656,1654,1655, &end
#
#  chirality for residue 111 atoms:  CA CG HB2 HB3
 &rst iat=1660,1665,1663,1664, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1658,1676,1661,1662, &end
#
#  chirality for residue 112 atoms:  CA OG HB2 HB3
 &rst iat=1680,1685,1683,1684, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1678,1687,1681,1682, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=1699,1693,1697,1698, &end
#
#  chirality for residue 113 atoms:  CB CD HG2 HG3
 &rst iat=1696,1690,1694,1695, &end
#
#  chirality for residue 113 atoms:  CG N HD2 HD3
 &rst iat=1693,1689,1691,1692, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1689,1701,1700,1696, &end
#
#  chirality for residue 114 atoms:  CA CG1 CG2 HB
 &rst iat=1705,1709,1713,1708, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1703,1717,1706,1707, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1729,1723,1727,1728, &end
#
#  chirality for residue 115 atoms:  CB CD HG2 HG3
 &rst iat=1726,1720,1724,1725, &end
#
#  chirality for residue 115 atoms:  CG N HD2 HD3
 &rst iat=1723,1719,1721,1722, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1719,1731,1730,1726, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1735,1740,1738,1739, &end
#
#  chirality for residue 116 atoms:  CB CD HG2 HG3
 &rst iat=1737,1743,1741,1742, &end
#
#  chirality for residue 116 atoms:  CD NZ HE2 HE3
 &rst iat=1743,1749,1747,1748, &end
#
#  chirality for residue 116 atoms:  CG CE HD2 HD3
 &rst iat=1740,1746,1744,1745, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1733,1753,1736,1737, &end
#
#  chirality for residue 118 atoms:  N C HA2 HA3
 &rst iat=1768,1773,1771,1772, &end
#
#  chirality for residue 119 atoms:  CA CG HB2 HB3
 &rst iat=1777,1782,1780,1781, &end
#
#  chirality for residue 119 atoms:  CB CD HG2 HG3
 &rst iat=1779,1785,1783,1784, &end
#
#  chirality for residue 119 atoms:  CD NZ HE2 HE3
 &rst iat=1785,1791,1789,1790, &end
#
#  chirality for residue 119 atoms:  CG CE HD2 HD3
 &rst iat=1782,1788,1786,1787, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1775,1795,1778,1779, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1799,1804,1802,1803, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1797,1815,1800,1801, &end
#
#  chirality for residue 121 atoms:  N C HA2 HA3
 &rst iat=1817,1822,1820,1821, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1826,1831,1829,1830, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1824,1843,1827,1828, &end
#
#  chirality for residue 123 atoms:  CA CG2 OG1 HB
 &rst iat=1847,1851,1855,1850, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=1845,1857,1848,1849, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=1874,1879,1877,1878, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1872,1890,1875,1876, &end
#
#  chirality for residue 126 atoms:  CA CG2 OG1 HB
 &rst iat=1894,1898,1902,1897, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=1892,1904,1895,1896, &end
#
#  chirality for residue 127 atoms:  CA CG HB2 HB3
 &rst iat=1908,1913,1911,1912, &end
#
#  chirality for residue 127 atoms:  N C HA CB
 &rst iat=1906,1928,1909,1910, &end
#
#  chirality for residue 129 atoms:  CA CG HB2 HB3
 &rst iat=1958,1952,1956,1957, &end
#
#  chirality for residue 129 atoms:  CB CD HG2 HG3
 &rst iat=1955,1949,1953,1954, &end
#
#  chirality for residue 129 atoms:  CG N HD2 HD3
 &rst iat=1952,1948,1950,1951, &end
#
#  chirality for residue 129 atoms:  N C HA CB
 &rst iat=1948,1960,1959,1955, &end
#
#  chirality for residue 130 atoms:  CA CG2 OG1 HB
 &rst iat=1964,1968,1972,1967, &end
#
#  chirality for residue 130 atoms:  N C HA CB
 &rst iat=1962,1974,1965,1966, &end
#
#  chirality for residue 131 atoms:  N C HA CB
 &rst iat=1976,1984,1979,1980, &end
#
#  chirality for residue 132 atoms:  N C HA2 HA3
 &rst iat=1986,1991,1989,1990, &end
#
#  chirality for residue 133 atoms:  CA CG2 OG1 HB
 &rst iat=1995,1999,2003,1998, &end
#
#  chirality for residue 133 atoms:  N C HA CB
 &rst iat=1993,2005,1996,1997, &end
#
#  chirality for residue 134 atoms:  CA CG HB2 HB3
 &rst iat=2009,2014,2012,2013, &end
#
#  chirality for residue 134 atoms:  N C HA CB
 &rst iat=2007,2026,2010,2011, &end
#
#  chirality for residue 135 atoms:  CA CG HB2 HB3
 &rst iat=2030,2035,2033,2034, &end
#
#  chirality for residue 135 atoms:  N C HA CB
 &rst iat=2028,2047,2031,2032, &end
#
#  chirality for residue 136 atoms:  CA CG HB2 HB3
 &rst iat=2051,2056,2054,2055, &end
#
#  chirality for residue 136 atoms:  N C HA CB
 &rst iat=2049,2068,2052,2053, &end
#
#  chirality for residue 137 atoms:  CA CG1 CG2 HB
 &rst iat=2072,2076,2080,2075, &end
#
#  chirality for residue 137 atoms:  N C HA CB
 &rst iat=2070,2084,2073,2074, &end
#
#  chirality for residue 138 atoms:  CA SG HB2 HB3
 &rst iat=2088,2093,2091,2092, &end
#
#  chirality for residue 138 atoms:  N C HA CB
 &rst iat=2086,2096,2089,2090, &end
#
#  chirality for residue 139 atoms:  CA CG HB2 HB3
 &rst iat=2100,2105,2103,2104, &end
#
#  chirality for residue 139 atoms:  CB CD HG2 HG3
 &rst iat=2102,2108,2106,2107, &end
#
#  chirality for residue 139 atoms:  N C HA CB
 &rst iat=2098,2113,2101,2102, &end
#
#  chirality for residue 140 atoms:  CA CG2 CG1 HB
 &rst iat=2117,2121,2125,2120, &end
#
#  chirality for residue 140 atoms:  CB CD1 HG12 HG13
 &rst iat=2119,2128,2126,2127, &end
#
#  chirality for residue 140 atoms:  N C HA CB
 &rst iat=2115,2132,2118,2119, &end
#
#  chirality for residue 141 atoms:  CA CG HB2 HB3
 &rst iat=2144,2138,2142,2143, &end
#
#  chirality for residue 141 atoms:  CB CD HG2 HG3
 &rst iat=2141,2135,2139,2140, &end
#
#  chirality for residue 141 atoms:  CG N HD2 HD3
 &rst iat=2138,2134,2136,2137, &end
#
#  chirality for residue 141 atoms:  N C HA CB
 &rst iat=2134,2146,2145,2141, &end
#
#  chirality for residue 142 atoms:  N C HA2 HA3
 &rst iat=2148,2153,2151,2152, &end
#
#  chirality for residue 144 atoms:  N C HA CB
 &rst iat=2172,2180,2175,2176, &end
#
#  chirality for residue 145 atoms:  N C HA CB
 &rst iat=2182,2190,2185,2186, &end
#
#  chirality for residue 146 atoms:  CA CG2 OG1 HB
 &rst iat=2194,2198,2202,2197, &end
#
#  chirality for residue 146 atoms:  N C HA CB
 &rst iat=2192,2204,2195,2196, &end
#
#  chirality for residue 147 atoms:  N C HA2 HA3
 &rst iat=2206,2211,2209,2210, &end
#
#  chirality for residue 149 atoms:  CA CG HB2 HB3
 &rst iat=2234,2239,2237,2238, &end
#
#  chirality for residue 149 atoms:  N C HA CB
 &rst iat=2232,2250,2235,2236, &end
#
#  chirality for residue 150 atoms:  N C HA2 HA3
 &rst iat=2252,2257,2255,2256, &end
#
#  chirality for residue 151 atoms:  CA CG HB2 HB3
 &rst iat=2261,2266,2264,2265, &end
#
#  chirality for residue 151 atoms:  CB CD HG2 HG3
 &rst iat=2263,2269,2267,2268, &end
#
#  chirality for residue 151 atoms:  CD NZ HE2 HE3
 &rst iat=2269,2275,2273,2274, &end
#
#  chirality for residue 151 atoms:  CG CE HD2 HD3
 &rst iat=2266,2272,2270,2271, &end
#
#  chirality for residue 151 atoms:  N C HA CB
 &rst iat=2259,2279,2262,2263, &end
#
#  chirality for residue 152 atoms:  CA CG2 CG1 HB
 &rst iat=2283,2287,2291,2286, &end
#
#  chirality for residue 152 atoms:  CB CD1 HG12 HG13
 &rst iat=2285,2294,2292,2293, &end
#
#  chirality for residue 152 atoms:  N C HA CB
 &rst iat=2281,2298,2284,2285, &end
#
#  chirality for residue 153 atoms:  CA CG1 CG2 HB
 &rst iat=2302,2306,2310,2305, &end
#
#  chirality for residue 153 atoms:  N C HA CB
 &rst iat=2300,2314,2303,2304, &end
#
#  chirality for residue 154 atoms:  CA CG1 CG2 HB
 &rst iat=2318,2322,2326,2321, &end
#
#  chirality for residue 154 atoms:  N C HA CB
 &rst iat=2316,2330,2319,2320, &end
#
#  chirality for residue 155 atoms:  CA CG HB2 HB3
 &rst iat=2334,2339,2337,2338, &end
#
#  chirality for residue 155 atoms:  CB CD HG2 HG3
 &rst iat=2336,2342,2340,2341, &end
#
#  chirality for residue 155 atoms:  CD NZ HE2 HE3
 &rst iat=2342,2348,2346,2347, &end
#
#  chirality for residue 155 atoms:  CG CE HD2 HD3
 &rst iat=2339,2345,2343,2344, &end
#
#  chirality for residue 155 atoms:  N C HA CB
 &rst iat=2332,2352,2335,2336, &end
#


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Monday, July 16, 2018 1:09:06 PM CDT (wattos1)