NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
489887 | 2ktf | cing | 1-original | 7 | AMBER | distance | NOE | ambi |
# # 104 TRP HD1 104 TRP H 4.50 (# ARO) &rst ixpk= 0, nxpk= 0, iat=1666,1658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, &end # # 104 TRP HD1 104 TRP HA 3.50 (# ARO) &rst ixpk= 0, nxpk= 0, iat=1666,1660, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 73 LEU QQD 99 GLU QG 4.50 (# 3695:25) &rst ixpk= 3695, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1184,1185,1186,1188,1189,1190, igr2=1587,1588, &end # # 71 LEU QQD 103 GLU QB 5.50 (# 3685:25) &rst ixpk= 3685, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1141,1142,1143,1145,1146,1147, igr2=1647,1648, &end # # 8 LEU HA 104 TRP HZ2 7.00 (# 0:FE3D) &rst ixpk= 0, nxpk= 25, iat= 131,1671, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 72 ARG HA 104 TRP HD1 4.50 (# 1:FE3D) &rst ixpk= 1, nxpk= 25, iat=1153,1666, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 8 LEU HA 89 PHE QB 5.50 (# 2:FE3D) &rst ixpk= 2, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1415,1416, &end # # 8 LEU HA 88 VAL HB 3.50 (# 3:FE3D) &rst ixpk= 3, nxpk= 25, iat= 131,1399, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 8 LEU HA 88 VAL QQG 3.50 (# 4:FE3D) &rst ixpk= 4, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1401,1402,1403,1405,1406,1407, &end # # 8 LEU HA 88 VAL QQG 3.50 (# 5:FE3D) &rst ixpk= 5, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1401,1402,1403,1405,1406,1407, &end # # 8 LEU HA 84 ILE QG1 7.00 (# 6:FE3D) &rst ixpk= 6, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1343,1344, &end # # 8 LEU HA 92 LEU QQD 5.50 (# 7:FE3D) &rst ixpk= 7, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1476,1477,1478,1480,1481,1482, &end # # 8 LEU HA 84 ILE HB 7.00 (# 8:FE3D) &rst ixpk= 8, nxpk= 25, iat= 131,1337, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 10 GLY QA 85 ASP QB 3.50 (# 9:FE3D) &rst ixpk= 9, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 164, 165, igr2=1356,1357, &end # # 10 GLY QA 85 ASP QB 3.50 (# 10:FE3D) &rst ixpk= 10, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 164, 165, igr2=1356,1357, &end # # 10 GLY QA 88 VAL QQG 3.50 (# 11:FE3D) &rst ixpk= 11, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 164, 165, igr2=1401,1402,1403,1405,1406,1407, &end # # 10 GLY QA 88 VAL QQG 3.50 (# 12:FE3D) &rst ixpk= 12, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 164, 165, igr2=1401,1402,1403,1405,1406,1407, &end # # 47 GLY QA 93 PRO QB 4.50 (# 13:FE3D) &rst ixpk= 13, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 751, 752, igr2=1493,1494, &end # # 47 GLY QA 93 PRO QB 4.50 (# 14:FE3D) &rst ixpk= 14, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 751, 752, igr2=1493,1494, &end # # 47 GLY QA 93 PRO QB 4.50 (# 15:FE3D) &rst ixpk= 15, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 751, 752, igr2=1493,1494, &end # # 47 GLY QA 93 PRO QB 4.50 (# 16:FE3D) &rst ixpk= 16, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 751, 752, igr2=1493,1494, &end # # 6 LYS QE 88 VAL QQG 3.50 (# 20:FE3D) &rst ixpk= 20, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 106, 107, igr2=1401,1402,1403,1405,1406,1407, &end # # 6 LYS QB 88 VAL QQG 3.50 (# 21:FE3D) &rst ixpk= 21, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 97, 98, igr2=1401,1402,1403,1405,1406,1407, &end # # 6 LYS QB 88 VAL QQG 3.50 (# 22:FE3D) &rst ixpk= 22, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 97, 98, igr2=1401,1402,1403,1405,1406,1407, &end # # 6 LYS QD 88 VAL QQG 3.50 (# 24:FE3D) &rst ixpk= 24, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 103, 104, igr2=1401,1402,1403,1405,1406,1407, &end # # 6 LYS QD 88 VAL QQG 3.50 (# 25:FE3D) &rst ixpk= 25, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 103, 104, igr2=1401,1402,1403,1405,1406,1407, &end # # 6 LYS QD 88 VAL HB 4.50 (# 26:FE3D) &rst ixpk= 26, nxpk= 25, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 103, 104, &end # # 6 LYS QD 89 PHE QB 7.00 (# 27:FE3D) &rst ixpk= 27, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32, igr1= 103, 104, igr2=1415,1416, &end # # 8 LEU HG 104 TRP HZ2 4.50 (# 28:FE3D) &rst ixpk= 28, nxpk= 25, iat= 136,1671, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 8 LEU HG 104 TRP HH2 5.50 (# 29:FE3D) &rst ixpk= 29, nxpk= 25, iat= 136,1673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 LEU HG 88 VAL HB 5.50 (# 30:FE3D) &rst ixpk= 30, nxpk= 25, iat= 136,1399, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 LEU HG 84 ILE HB 7.00 (# 32:FE3D) &rst ixpk= 32, nxpk= 25, iat= 136,1337, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 8 LEU HG 84 ILE QG2 7.00 (# 33:FE3D) &rst ixpk= 33, nxpk= 25, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2=1339,1340,1341, &end # # 8 LEU HG 88 VAL QQG 4.50 (# 34:FE3D) &rst ixpk= 34, nxpk= 25, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1401,1402,1403,1405,1406,1407, &end # # 8 LEU HG 88 VAL QQG 4.50 (# 35:FE3D) &rst ixpk= 35, nxpk= 25, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1401,1402,1403,1405,1406,1407, &end # # 8 LEU HG 100 LEU QQD 4.50 (# 36:FE3D) &rst ixpk= 36, nxpk= 25, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1604,1605,1606,1608,1609,1610, &end # # 8 LEU HG 92 LEU QQD 4.50 (# 37:FE3D) &rst ixpk= 37, nxpk= 25, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1476,1477,1478,1480,1481,1482, &end # # 72 ARG QB 104 TRP HD1 7.00 (# 38:FE3D) &rst ixpk= 38, nxpk= 25, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1=1155,1156, &end # # 72 ARG QB 99 GLU QG 5.50 (# 39:FE3D) &rst ixpk= 39, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1155,1156, igr2=1587,1588, &end # # 73 LEU HG 104 TRP HD1 4.50 (# 40:FE3D) &rst ixpk= 40, nxpk= 25, iat=1182,1666, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 73 LEU HG 104 TRP QB 7.00 (# 42:FE3D) &rst ixpk= 42, nxpk= 25, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1662,1663, &end # # 73 LEU HG 103 GLU QG 5.50 (# 43:FE3D) &rst ixpk= 43, nxpk= 25, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1650,1651, &end # # 8 LEU QQD 104 TRP HZ2 4.50 (# 45:FE3D) &rst ixpk= 45, nxpk= 25, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 138, 139, 140, 142, 143, 144, &end # # 8 LEU QQD 89 PHE QE 4.50 (# 46:FE3D) &rst ixpk= 46, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 138, 139, 140, 142, 143, 144, igr2=1421,1425, &end # # 8 LEU QQD 104 TRP HH2 3.50 (# 47:FE3D) &rst ixpk= 47, nxpk= 25, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 138, 139, 140, 142, 143, 144, &end # # 8 LEU QQD 89 PHE QD 4.50 (# 48:FE3D) &rst ixpk= 48, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 138, 139, 140, 142, 143, 144, igr2=1419,1427, &end # # 8 LEU QQD 88 VAL HB 3.50 (# 49:FE3D) &rst ixpk= 49, nxpk= 25, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 138, 139, 140, 142, 143, 144, &end # # 8 LEU QQD 84 ILE HB 4.50 (# 51:FE3D) &rst ixpk= 51, nxpk= 25, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 138, 139, 140, 142, 143, 144, &end # # 8 LEU QQD 88 VAL QQG 4.50 (# 52:FE3D) &rst ixpk= 52, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 138, 139, 140, 142, 143, 144, igr2=1401,1402,1403,1405,1406,1407, &end # # 8 LEU QQD 88 VAL QQG 4.50 (# 53:FE3D) &rst ixpk= 53, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 138, 139, 140, 142, 143, 144, igr2=1401,1402,1403,1405,1406,1407, &end # # 8 LEU QQD 92 LEU QB 4.50 (# 54:FE3D) &rst ixpk= 54, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 138, 139, 140, 142, 143, 144, igr2=1471,1472, &end # # 8 LEU QQD 97 GLN QG 4.50 (# 55:FE3D) &rst ixpk= 55, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 138, 139, 140, 142, 143, 144, igr2=1548,1549, &end # # 8 LEU QQD 92 LEU QB 4.50 (# 56:FE3D) &rst ixpk= 56, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 138, 139, 140, 142, 143, 144, igr2=1471,1472, &end # # 8 LEU QQD 84 ILE HB 5.50 (# 58:FE3D) &rst ixpk= 58, nxpk= 25, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 138, 139, 140, 142, 143, 144, &end # # 8 LEU QQD 89 PHE QB 5.50 (# 59:FE3D) &rst ixpk= 59, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 138, 139, 140, 142, 143, 144, igr2=1415,1416, &end # # 73 LEU QQD 104 TRP HD1 4.50 (# 60:FE3D) &rst ixpk= 60, nxpk= 25, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1184,1185,1186,1188,1189,1190, &end # # 73 LEU QQD 99 GLU QG 5.50 (# 61:FE3D) &rst ixpk= 61, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1184,1185,1186,1188,1189,1190, igr2=1587,1588, &end # # 73 LEU QQD 103 GLU QG 3.50 (# 62:FE3D) &rst ixpk= 62, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1184,1185,1186,1188,1189,1190, igr2=1650,1651, &end # # 73 LEU QQD 99 GLU QG 4.50 (# 63:FE3D) &rst ixpk= 63, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1184,1185,1186,1188,1189,1190, igr2=1587,1588, &end # # 73 LEU QQD 99 GLU QB 4.50 (# 64:FE3D) &rst ixpk= 64, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1184,1185,1186,1188,1189,1190, igr2=1584,1585, &end # # 73 LEU QQD 103 GLU QB 4.50 (# 65:FE3D) &rst ixpk= 65, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1184,1185,1186,1188,1189,1190, igr2=1647,1648, &end # # 70 VAL QQG 104 TRP HZ2 4.50 (# 66:FE3D) &rst ixpk= 66, nxpk= 25, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1122,1123,1124,1126,1127,1128, &end # # 70 VAL QQG 89 PHE QD 5.50 (# 67:FE3D) &rst ixpk= 67, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1122,1123,1124,1126,1127,1128, igr2=1419,1427, &end # # 70 VAL QQG 89 PHE HA 5.50 (# 69:FE3D) &rst ixpk= 69, nxpk= 25, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1122,1123,1124,1126,1127,1128, &end # # 70 VAL QQG 99 GLU QB 5.50 (# 70:FE3D) &rst ixpk= 70, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1122,1123,1124,1126,1127,1128, igr2=1584,1585, &end # # 70 VAL QQG 96 VAL HB 5.50 (# 71:FE3D) &rst ixpk= 71, nxpk= 25, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1122,1123,1124,1126,1127,1128, &end # # 70 VAL QQG 88 VAL QQG 7.00 (# 72:FE3D) &rst ixpk= 72, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22, igr1=1122,1123,1124,1126,1127,1128, igr2=1401,1402,1403,1405,1406,1407, &end # # 70 VAL QQG 92 LEU QB 4.50 (# 73:FE3D) &rst ixpk= 73, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1122,1123,1124,1126,1127,1128, igr2=1471,1472, &end # # 70 VAL QQG 88 VAL QQG 5.50 (# 74:FE3D) &rst ixpk= 74, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1=1122,1123,1124,1126,1127,1128, igr2=1401,1402,1403,1405,1406,1407, &end # # 70 VAL QQG 96 VAL QQG 4.50 (# 75:FE3D) &rst ixpk= 75, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=1122,1123,1124,1126,1127,1128, igr2=1531,1532,1533,1535,1536,1537, &end # # 70 VAL QQG 96 VAL QQG 4.50 (# 76:FE3D) &rst ixpk= 76, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=1122,1123,1124,1126,1127,1128, igr2=1531,1532,1533,1535,1536,1537, &end # # 70 VAL QQG 97 GLN QG 4.50 (# 77:FE3D) &rst ixpk= 77, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1122,1123,1124,1126,1127,1128, igr2=1548,1549, &end # # 70 VAL QQG 92 LEU QQD 3.50 (# 78:FE3D) &rst ixpk= 78, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1122,1123,1124,1126,1127,1128, igr2=1476,1477,1478,1480,1481,1482, &end # # 70 VAL QQG 104 TRP HH2 5.50 (# 79:FE3D) &rst ixpk= 79, nxpk= 25, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1122,1123,1124,1126,1127,1128, &end # # 70 VAL QQG 88 VAL QQG 4.50 (# 80:FE3D) &rst ixpk= 80, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=1122,1123,1124,1126,1127,1128, igr2=1401,1402,1403,1405,1406,1407, &end # # 9 THR QG2 83 ASP QB 4.50 (# 81:FE3D) &rst ixpk= 81, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 154, 155, 156, igr2=1325,1326, &end # # 9 THR QG2 83 ASP QB 4.50 (# 82:FE3D) &rst ixpk= 82, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 154, 155, 156, igr2=1325,1326, &end # # 9 THR QG2 84 ILE HB 7.00 (# 83:FE3D) &rst ixpk= 83, nxpk= 25, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 154, 155, 156, &end # # 44 ILE QG2 93 PRO QB 4.50 (# 84:FE3D) &rst ixpk= 84, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 706, 707, 708, igr2=1493,1494, &end # # 44 ILE QG2 93 PRO QG 4.50 (# 85:FE3D) &rst ixpk= 85, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 706, 707, 708, igr2=1490,1491, &end # # 44 ILE QG2 93 PRO QB 4.50 (# 86:FE3D) &rst ixpk= 86, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 706, 707, 708, igr2=1493,1494, &end # # 44 ILE QG2 88 VAL QQG 5.50 (# 87:FE3D) &rst ixpk= 87, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1= 706, 707, 708, igr2=1401,1402,1403,1405,1406,1407, &end # # 44 ILE QG2 92 LEU QQD 4.50 (# 88:FE3D) &rst ixpk= 88, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 706, 707, 708, igr2=1476,1477,1478,1480,1481,1482, &end # # 44 ILE QG2 91 GLU QB 5.50 (# 89:FE3D) &rst ixpk= 89, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 706, 707, 708, igr2=1456,1457, &end # # 68 HIS HD2 88 VAL QQG 5.50 (# 90:FE3D) &rst ixpk= 90, nxpk= 25, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1401,1402,1403,1405,1406,1407, &end # # 68 HIS HD2 88 VAL QQG 5.50 (# 91:FE3D) &rst ixpk= 91, nxpk= 25, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1401,1402,1403,1405,1406,1407, &end # # 6 LYS QE 88 VAL QG2 3.50 (# 93:FE3D) &rst ixpk= 93, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 106, 107, igr2=1405,1406,1407, &end # # 6 LYS QG 88 VAL QQG 5.50 (# 95:FE3D) &rst ixpk= 95, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 100, 101, igr2=1401,1402,1403,1405,1406,1407, &end # # 6 LYS QG 88 VAL QG2 4.50 (# 96:FE3D) &rst ixpk= 96, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 100, 101, igr2=1405,1406,1407, &end # # 73 LEU HG 107 THR QG2 5.50 (# 97:FE3D) &rst ixpk= 97, nxpk= 25, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1734,1735,1736, &end # # 73 LEU HG 100 LEU QQD 5.50 (# 99:FE3D) &rst ixpk= 99, nxpk= 25, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1604,1605,1606,1608,1609,1610, &end # # 73 LEU QQD 99 GLU QB 4.50 (# 100:FE3D) &rst ixpk= 100, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1184,1185,1186,1188,1189,1190, igr2=1584,1585, &end # # 73 LEU QQD 107 THR QG2 5.50 (# 104:FE3D) &rst ixpk= 104, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1184,1185,1186,1188,1189,1190, igr2=1734,1735,1736, &end # # 73 LEU QQD 100 LEU QQD 4.50 (# 106:FE3D) &rst ixpk= 106, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=1184,1185,1186,1188,1189,1190, igr2=1604,1605,1606,1608,1609,1610, &end # # 44 ILE QG2 96 VAL QQG 3.50 (# 108:FE3D) &rst ixpk= 108, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 706, 707, 708, igr2=1531,1532,1533,1535,1536,1537, &end # # 68 HIS HE1 91 GLU QG 4.50 (# 111:FE3D) &rst ixpk= 111, nxpk= 25, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1459,1460, &end # # 68 HIS HE1 88 VAL QQG 4.50 (# 112:FE3D) &rst ixpk= 112, nxpk= 25, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1401,1402,1403,1405,1406,1407, &end # # 68 HIS HE1 88 VAL QQG 4.50 (# 113:FE3D) &rst ixpk= 113, nxpk= 25, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1401,1402,1403,1405,1406,1407, &end # # 8 LEU HA 104 TRP HH2 7.00 (# 114:FE3D) &rst ixpk= 114, nxpk= 25, iat= 131,1673, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 8 LEU QB 104 TRP HZ2 4.50 (# 116:FE3D) &rst ixpk= 116, nxpk= 25, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 133, 134, &end # # 8 LEU QQD 104 TRP HZ2 3.50 (# 117:FE3D) &rst ixpk= 117, nxpk= 25, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 138, 139, 140, 142, 143, 144, &end # # 8 LEU QQD 89 PHE QE 4.50 (# 118:FE3D) &rst ixpk= 118, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 138, 139, 140, 142, 143, 144, igr2=1421,1425, &end # # 73 LEU QQD 104 TRP HD1 3.50 (# 120:FE3D) &rst ixpk= 120, nxpk= 25, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1184,1185,1186,1188,1189,1190, &end # # 8 LEU QQD 104 TRP HH2 3.50 (# 122:FE3D) &rst ixpk= 122, nxpk= 25, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 138, 139, 140, 142, 143, 144, &end # # 8 LEU QB 104 TRP HH2 5.50 (# 123:FE3D) &rst ixpk= 123, nxpk= 25, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 133, 134, &end # # 8 LEU QQD 89 PHE QD 3.50 (# 124:FE3D) &rst ixpk= 124, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 138, 139, 140, 142, 143, 144, igr2=1419,1427, &end # # 8 LEU QQD 89 PHE QB 5.50 (# 128:FE3D) &rst ixpk= 128, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 138, 139, 140, 142, 143, 144, igr2=1415,1416, &end # # 9 THR HA 83 ASP QB 5.50 (# 129:FE3D) &rst ixpk= 129, nxpk= 25, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1325,1326, &end # # 9 THR HB 83 ASP QB 4.50 (# 130:FE3D) &rst ixpk= 130, nxpk= 25, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1325,1326, &end # # 9 THR HB 83 ASP QB 4.50 (# 131:FE3D) &rst ixpk= 131, nxpk= 25, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1325,1326, &end # # 73 LEU QQD 103 GLU QG 4.50 (# 132:FE3D) &rst ixpk= 132, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1184,1185,1186,1188,1189,1190, igr2=1650,1651, &end # # 72 ARG HA 103 GLU QG 4.50 (# 133:FE3D) &rst ixpk= 133, nxpk= 25, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1650,1651, &end # # 73 LEU QB 103 GLU QG 5.50 (# 134:FE3D) &rst ixpk= 134, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1179,1180, igr2=1650,1651, &end # # 8 LEU QQD 88 VAL HB 3.50 (# 135:FE3D) &rst ixpk= 135, nxpk= 25, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 138, 139, 140, 142, 143, 144, &end # # 6 LYS QE 88 VAL HB 5.50 (# 136:FE3D) &rst ixpk= 136, nxpk= 25, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 106, 107, &end # # 8 LEU QB 88 VAL HB 5.50 (# 137:FE3D) &rst ixpk= 137, nxpk= 25, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 133, 134, &end # # 73 LEU QQD 103 GLU QB 4.50 (# 139:FE3D) &rst ixpk= 139, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1184,1185,1186,1188,1189,1190, igr2=1647,1648, &end # # 9 THR HA 84 ILE HB 5.50 (# 141:FE3D) &rst ixpk= 141, nxpk= 25, iat= 150,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 LEU QB 84 ILE HB 5.50 (# 142:FE3D) &rst ixpk= 142, nxpk= 25, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 133, 134, &end # # 73 LEU QQD 107 THR QG2 5.50 (# 145:FE3D) &rst ixpk= 145, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1184,1185,1186,1188,1189,1190, igr2=1734,1735,1736, &end # # 8 LEU QB 88 VAL QQG 5.50 (# 146:FE3D) &rst ixpk= 146, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 133, 134, igr2=1401,1402,1403,1405,1406,1407, &end # # 6 LYS QG 88 VAL QQG 5.50 (# 147:FE3D) &rst ixpk= 147, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 100, 101, igr2=1401,1402,1403,1405,1406,1407, &end # # 8 LEU QQD 88 VAL QQG 4.50 (# 148:FE3D) &rst ixpk= 148, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1= 138, 139, 140, 142, 143, 144, igr2=1401,1402,1403,1405,1406,1407, &end # # 9 THR HA 88 VAL QQG 5.50 (# 149:FE3D) &rst ixpk= 149, nxpk= 25, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1401,1402,1403,1405,1406,1407, &end # # 8 LEU QB 88 VAL QQG 5.50 (# 150:FE3D) &rst ixpk= 150, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 133, 134, igr2=1401,1402,1403,1405,1406,1407, &end # # 6 LYS QG 88 VAL QQG 5.50 (# 151:FE3D) &rst ixpk= 151, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 100, 101, igr2=1401,1402,1403,1405,1406,1407, &end # # 8 LEU QQD 88 VAL QQG 3.50 (# 152:FE3D) &rst ixpk= 152, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 138, 139, 140, 142, 143, 144, igr2=1401,1402,1403,1405,1406,1407, &end # # 8 LEU QQD 84 ILE QG1 4.50 (# 153:FE3D) &rst ixpk= 153, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 138, 139, 140, 142, 143, 144, igr2=1343,1344, &end # # 70 VAL HB 96 VAL QQG 5.50 (# 154:FE3D) &rst ixpk= 154, nxpk= 25, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1531,1532,1533,1535,1536,1537, &end # # 8 LEU QB 84 ILE QG1 5.50 (# 155:FE3D) &rst ixpk= 155, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 133, 134, igr2=1343,1344, &end # # 70 VAL HA 100 LEU QQD 5.50 (# 156:FE3D) &rst ixpk= 156, nxpk= 25, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1604,1605,1606,1608,1609,1610, &end # # 8 LEU QB 84 ILE QG1 5.50 (# 157:FE3D) &rst ixpk= 157, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 133, 134, igr2=1343,1344, &end # # 8 LEU QB 100 LEU QQD 5.50 (# 158:FE3D) &rst ixpk= 158, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 133, 134, igr2=1604,1605,1606,1608,1609,1610, &end # # 70 VAL HA 100 LEU QQD 5.50 (# 159:FE3D) &rst ixpk= 159, nxpk= 25, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1604,1605,1606,1608,1609,1610, &end # # 70 VAL HB 92 LEU QQD 5.50 (# 160:FE3D) &rst ixpk= 160, nxpk= 25, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1476,1477,1478,1480,1481,1482, &end # # 9 THR HA 88 VAL QQG 5.50 (# 161:FE3D) &rst ixpk= 161, nxpk= 25, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1401,1402,1403,1405,1406,1407, &end # # 70 VAL HA 104 TRP HZ2 5.50 (# 162:FE3D) &rst ixpk= 162, nxpk= 25, iat=1118,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 70 VAL HA 84 ILE QG1 5.50 (# 163:FE3D) &rst ixpk= 163, nxpk= 25, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1343,1344, &end # # 73 LEU QB 104 TRP HD1 5.50 (# 166:FE3D) &rst ixpk= 166, nxpk= 25, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1179,1180, &end # # 70 VAL HB 84 ILE QG1 7.00 (# 168:FE3D) &rst ixpk= 168, nxpk= 25, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1343,1344, &end # # 70 VAL HB 96 VAL QQG 5.50 (# 169:FE3D) &rst ixpk= 169, nxpk= 25, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1531,1532,1533,1535,1536,1537, &end # # 8 LEU QQD 92 LEU QQD 3.50 (# 170:FE3D) &rst ixpk= 170, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 138, 139, 140, 142, 143, 144, igr2=1476,1477,1478,1480,1481,1482, &end # # 73 LEU QQD 103 GLU QG 5.50 (# 171:FE3D) &rst ixpk= 171, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1184,1185,1186,1188,1189,1190, igr2=1650,1651, &end # # 73 LEU QQD 104 TRP HH2 7.00 (# 172:FE3D) &rst ixpk= 172, nxpk= 25, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr1=1184,1185,1186,1188,1189,1190, &end # # 73 LEU QQD 100 LEU QQD 4.50 (# 174:FE3D) &rst ixpk= 174, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=1184,1185,1186,1188,1189,1190, igr2=1604,1605,1606,1608,1609,1610, &end # # 88 VAL QQG 68 HIS HE1 4.50 (# 0) &rst ixpk= 0, nxpk= 25, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1401,1402,1403,1405,1406,1407, &end # # 88 VAL QQG 68 HIS HD2 3.50 (# 1) &rst ixpk= 1, nxpk= 25, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1401,1402,1403,1405,1406,1407, &end # # 88 VAL QQG 10 GLY QA 5.50 (# 2) &rst ixpk= 2, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1401,1402,1403,1405,1406,1407, igr2= 164, 165, &end # # 88 VAL QQG 6 LYS QE 3.50 (# 3) &rst ixpk= 3, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1401,1402,1403,1405,1406,1407, igr2= 106, 107, &end # # 88 VAL QQG 6 LYS QD 4.50 (# 4) &rst ixpk= 4, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1401,1402,1403,1405,1406,1407, igr2= 103, 104, &end # # 88 VAL QQG 6 LYS QG 5.50 (# 5) &rst ixpk= 5, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1401,1402,1403,1405,1406,1407, igr2= 100, 101, &end # # 96 VAL QQG 44 ILE QG2 3.50 (# 6) &rst ixpk= 6, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1531,1532,1533,1535,1536,1537, igr2= 706, 707, 708, &end # # 96 VAL QQG 70 VAL QQG 3.50 (# 7) &rst ixpk= 7, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1531,1532,1533,1535,1536,1537, igr2=1122,1123,1124,1126,1127,1128, &end # # 100 LEU QQD 70 VAL QQG 3.50 (# 8) &rst ixpk= 8, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1604,1605,1606,1608,1609,1610, igr2=1122,1123,1124,1126,1127,1128, &end # # 84 ILE QG1 8 LEU QQD 5.50 (# 9) &rst ixpk= 9, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1343,1344, igr2= 138, 139, 140, 142, 143, 144, &end # # 100 LEU HG 71 LEU QQD 4.50 (# 10) &rst ixpk= 10, nxpk= 25, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1141,1142,1143,1145,1146,1147, &end # # 100 LEU HG 70 VAL QQG 3.50 (# 11) &rst ixpk= 11, nxpk= 25, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1122,1123,1124,1126,1127,1128, &end # # 100 LEU HG 70 VAL QQG 3.50 (# 12) &rst ixpk= 12, nxpk= 25, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1122,1123,1124,1126,1127,1128, &end # # 100 LEU HG 71 LEU QQD 5.50 (# 13) &rst ixpk= 13, nxpk= 25, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1141,1142,1143,1145,1146,1147, &end # # 100 LEU HG 72 ARG QD 7.00 (# 15) &rst ixpk= 15, nxpk= 25, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1161,1162, &end # # 93 PRO QG 44 ILE QG2 3.50 (# 18) &rst ixpk= 18, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1490,1491, igr2= 706, 707, 708, &end # # 93 PRO QG 70 VAL QQG 5.50 (# 19) &rst ixpk= 19, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1490,1491, igr2=1122,1123,1124,1126,1127,1128, &end # # 93 PRO QG 49 GLN QG 5.50 (# 20) &rst ixpk= 20, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1490,1491, igr2= 785, 786, &end # # 91 GLU QG 68 HIS HE1 4.50 (# 21) &rst ixpk= 21, nxpk= 25, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1459,1460, &end # # 99 GLU QB 70 VAL QQG 4.50 (# 22) &rst ixpk= 22, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1584,1585, igr2=1122,1123,1124,1126,1127,1128, &end # # 103 GLU QB 73 LEU QQD 4.50 (# 23) &rst ixpk= 23, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1647,1648, igr2=1184,1185,1186,1188,1189,1190, &end # # 103 GLU QB 71 LEU QQD 4.50 (# 24) &rst ixpk= 24, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1647,1648, igr2=1141,1142,1143,1145,1146,1147, &end # # 91 GLU QG 68 HIS HE1 3.50 (# 27) &rst ixpk= 27, nxpk= 25, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1459,1460, &end # # 83 ASP QB 8 LEU QQD 5.50 (# 29) &rst ixpk= 29, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1325,1326, igr2= 138, 139, 140, 142, 143, 144, &end # # 93 PRO QD 44 ILE QD1 4.50 (# 30) &rst ixpk= 30, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1487,1488, igr2= 713, 714, 715, &end # # 93 PRO QD 44 ILE QG2 4.50 (# 31) &rst ixpk= 31, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1487,1488, igr2= 706, 707, 708, &end # # 92 LEU HA 44 ILE QD1 4.50 (# 32) &rst ixpk= 32, nxpk= 25, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 713, 714, 715, &end # # 83 ASP HA 8 LEU QQD 7.00 (# 33) &rst ixpk= 33, nxpk= 25, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr2= 138, 139, 140, 142, 143, 144, &end # # 84 ILE HA 70 VAL HB 7.00 (# 34) &rst ixpk= 34, nxpk= 25, iat=1335,1120, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 84 ILE HA 8 LEU QQD 3.50 (# 35) &rst ixpk= 35, nxpk= 25, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 138, 139, 140, 142, 143, 144, &end # # 84 ILE HA 70 VAL QQG 7.00 (# 36) &rst ixpk= 36, nxpk= 25, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr2=1122,1123,1124,1126,1127,1128, &end # # 84 ILE QD1 70 VAL HB 4.50 (# 37) &rst ixpk= 37, nxpk= 25, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1346,1347,1348, &end # # 84 ILE QD1 71 LEU QB 4.50 (# 38) &rst ixpk= 38, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1346,1347,1348, igr2=1136,1137, &end # # 84 ILE QD1 8 LEU QQD 3.50 (# 39) &rst ixpk= 39, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1346,1347,1348, igr2= 138, 139, 140, 142, 143, 144, &end # # 84 ILE QD1 69 LEU QB 5.50 (# 40) &rst ixpk= 40, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1346,1347,1348, igr2=1101,1102, &end # # 84 ILE QD1 70 VAL QQG 4.50 (# 41) &rst ixpk= 41, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1346,1347,1348, igr2=1122,1123,1124,1126,1127,1128, &end # # 84 ILE QG2 8 LEU QB 5.50 (# 42) &rst ixpk= 42, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1339,1340,1341, igr2= 133, 134, &end # # 84 ILE QG2 8 LEU QB 5.50 (# 43) &rst ixpk= 43, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1339,1340,1341, igr2= 133, 134, &end # # 84 ILE QG2 71 LEU QB 4.50 (# 44) &rst ixpk= 44, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1339,1340,1341, igr2=1136,1137, &end # # 84 ILE QG2 69 LEU QB 7.00 (# 45) &rst ixpk= 45, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr1=1339,1340,1341, igr2=1101,1102, &end # # 84 ILE QG2 70 VAL QQG 4.50 (# 46) &rst ixpk= 46, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1339,1340,1341, igr2=1122,1123,1124,1126,1127,1128, &end # # 84 ILE QG2 8 LEU QQD 5.50 (# 47) &rst ixpk= 47, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1339,1340,1341, igr2= 138, 139, 140, 142, 143, 144, &end # # 92 LEU QQD 68 HIS HE1 5.50 (# 48) &rst ixpk= 48, nxpk= 25, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1476,1477,1478,1480,1481,1482, &end # # 92 LEU QQD 68 HIS HD2 5.50 (# 49) &rst ixpk= 49, nxpk= 25, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1476,1477,1478,1480,1481,1482, &end # # 92 LEU QQD 45 PHE QB 7.00 (# 50) &rst ixpk= 50, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09, igr1=1476,1477,1478,1480,1481,1482, igr2= 723, 724, &end # # 92 LEU QQD 44 ILE HB 5.50 (# 51) &rst ixpk= 51, nxpk= 25, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1476,1477,1478,1480,1481,1482, &end # # 92 LEU QQD 70 VAL QQG 5.50 (# 52) &rst ixpk= 52, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1=1476,1477,1478,1480,1481,1482, igr2=1122,1123,1124,1126,1127,1128, &end # # 92 LEU QQD 44 ILE QG1 5.50 (# 53) &rst ixpk= 53, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1476,1477,1478,1480,1481,1482, igr2= 710, 711, &end # # 92 LEU QQD 70 VAL QQG 4.50 (# 54) &rst ixpk= 54, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=1476,1477,1478,1480,1481,1482, igr2=1122,1123,1124,1126,1127,1128, &end # # 92 LEU QQD 44 ILE QD1 3.50 (# 55) &rst ixpk= 55, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1476,1477,1478,1480,1481,1482, igr2= 713, 714, 715, &end # # 88 VAL QQG 10 GLY QA 5.50 (# 56) &rst ixpk= 56, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1401,1402,1403,1405,1406,1407, igr2= 164, 165, &end # # 88 VAL QQG 44 ILE HB 7.00 (# 57) &rst ixpk= 57, nxpk= 25, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr1=1401,1402,1403,1405,1406,1407, &end # # 88 VAL QQG 6 LYS QG 5.50 (# 58) &rst ixpk= 58, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1401,1402,1403,1405,1406,1407, igr2= 100, 101, &end # # 96 VAL QQG 70 VAL QQG 4.50 (# 59) &rst ixpk= 59, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=1531,1532,1533,1535,1536,1537, igr2=1122,1123,1124,1126,1127,1128, &end # # 83 ASP QB 8 LEU QQD 5.50 (# 62) &rst ixpk= 62, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1325,1326, igr2= 138, 139, 140, 142, 143, 144, &end # # 100 LEU QQD 69 LEU QD1 5.50 (# 63) &rst ixpk= 63, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1604,1605,1606,1608,1609,1610, igr2=1106,1107,1108, &end # # 100 LEU QQD 69 LEU QB 7.00 (# 64) &rst ixpk= 64, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09, igr1=1604,1605,1606,1608,1609,1610, igr2=1101,1102, &end # # 100 LEU QQD 44 ILE QG1 5.50 (# 65) &rst ixpk= 65, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1604,1605,1606,1608,1609,1610, igr2= 710, 711, &end # # 96 VAL HB 44 ILE QD1 4.50 (# 67) &rst ixpk= 67, nxpk= 25, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2= 713, 714, 715, &end # # 96 VAL HB 70 VAL QQG 5.50 (# 68) &rst ixpk= 68, nxpk= 25, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1122,1123,1124,1126,1127,1128, &end # # 91 GLU HA 68 HIS HE1 5.50 (# 69) &rst ixpk= 69, nxpk= 25, iat=1454,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 96 VAL HA 44 ILE QD1 5.50 (# 70) &rst ixpk= 70, nxpk= 25, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 713, 714, 715, &end # # 91 GLU QB 68 HIS HE1 3.50 (# 71) &rst ixpk= 71, nxpk= 25, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1456,1457, &end # # 88 VAL HA 68 HIS HE1 5.50 (# 72) &rst ixpk= 72, nxpk= 25, iat=1397,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 91 GLU QG 68 HIS HE1 5.50 (# 73) &rst ixpk= 73, nxpk= 25, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1459,1460, &end # # 6 LYS HN 67 LEU HN 4.50 (# 0:15 Preassigned 3.20, 3.31 A) &rst ixpk= 0, nxpk= 15, iat= 93,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, &end # # 66 THR HN 67 LEU HN 4.50 (# 1:15 Preassigned 3.90, 4.12 A) &rst ixpk= 1, nxpk= 15, iat=1047,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 4 PHE HN 67 LEU HN 4.50 (# 2:15 Preassigned 3.44, 3.63 A) &rst ixpk= 2, nxpk= 15, iat= 57,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:3 6 LYS HN 4.50 (# 3:15 Single Ambig) &rst ixpk= 3, nxpk= 15, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1061, 77, &end # # 7 THR HN 6 LYS HN 4.50 (# 4:15 Preassigned 4.49, 4.52 A) &rst ixpk= 4, nxpk= 15, iat= 115, 93, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 66 THR HA 67 LEU HN 2.80 (# 5:15 Preassigned 2.15, 2.19 A) &rst ixpk= 5, nxpk= 15, iat=1049,1061, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 68 HIS HA 6 LYS HN 3.50 (# 6:15 Preassigned 3.17, 3.35 A) &rst ixpk= 6, nxpk= 15, iat=1082, 93, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:7 6 LYS HN 4.50 (# 7:15 Single Ambig) &rst ixpk= 7, nxpk= 15, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 193,1063, &end # # 5 VAL HA 6 LYS HN 2.80 (# 8:15 Preassigned 2.23, 2.24 A) &rst ixpk= 8, nxpk= 15, iat= 79, 93, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 5 VAL HA 67 LEU HN 4.50 (# 9:15 Preassigned 2.34, 2.46 A) &rst ixpk= 9, nxpk= 15, iat= 79,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 67 LEU HA 67 LEU HN 4.50 (# 10:15 Preassigned 2.90, 2.92 A) &rst ixpk= 10, nxpk= 15, iat=1063,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 4 PHE HB- 67 LEU HN 4.50 (# 11:15 Preassigned 3.63, 4.38 A) &rst ixpk= 11, nxpk= 15, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 61, 62, &end # # 4 PHE HB+ 67 LEU HN 4.50 (# 12:15 Preassigned 3.63, 4.38 A) &rst ixpk= 12, nxpk= 15, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 61, 62, &end # # 0 AMB 15-3:13 6 LYS HN 4.50 (# 13:15 Single Ambig) &rst ixpk= 13, nxpk= 15, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 106, 107, 106, 107, 61, 62, &end # # 3 ILE HB 67 LEU HN 4.50 (# 14:15 Preassigned 3.85, 3.93 A) &rst ixpk= 14, nxpk= 15, iat= 42,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 67 LEU HB- 67 LEU HN 3.50 (# 15:15 Preassigned 2.20, 2.66 A) &rst ixpk= 15, nxpk= 15, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1065,1066, &end # # 66 THR QG2 67 LEU HN 3.50 (# 16:15 Preassigned 3.43, 4.14 A) &rst ixpk= 16, nxpk= 15, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1053,1054,1055, &end # # 0 AMB 15-3:17 67 LEU HN 3.50 (# 17:15 Single Ambig) &rst ixpk= 17, nxpk= 15, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87, 88, 89,1070,1071,1072,1074,1075,1076, &end # # 0 AMB 15-3:18 67 LEU HN 5.50 (# 18:15 Single Ambig) &rst ixpk= 18, nxpk= 15, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 969, 970, 971, 976, 977, 978, &end # # 7 THR QG2 6 LYS HN 5.50 (# 19:15 Preassigned 5.50, 6.58 A) &rst ixpk= 19, nxpk= 15, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 121, 122, 123, &end # # 0 AMB 15-3:20 6 LYS HN 3.50 (# 20:15 Single Ambig) &rst ixpk= 20, nxpk= 15, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87, 88, 89, &end # # 66 THR QG2 6 LYS HN 4.50 (# 21:15 Preassigned 3.15, 3.97 A) &rst ixpk= 21, nxpk= 15, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1053,1054,1055, &end # # 6 LYS HB+ 6 LYS HN 3.50 (# 22:15 Preassigned 2.23, 2.58 A) &rst ixpk= 22, nxpk= 15, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 97, 98, &end # # 6 LYS HB- 6 LYS HN 3.50 (# 23:15 Preassigned 2.23, 2.58 A) &rst ixpk= 23, nxpk= 15, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 97, 98, &end # # 0 AMB 15-3:24 70 VAL HN 4.50 (# 24:15 Single Ambig) &rst ixpk= 24, nxpk= 15, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1097,1132, &end # # 42 ARG HN 70 VAL HN 4.50 (# 25:15 Preassigned 3.82, 3.91 A) &rst ixpk= 25, nxpk= 15, iat= 657,1116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 43 LEU HA 70 VAL HN 4.50 (# 26:15 Preassigned 2.95, 3.12 A) &rst ixpk= 26, nxpk= 15, iat= 683,1116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 70 VAL HA 70 VAL HN 3.50 (# 27:15 Preassigned 2.92, 2.94 A) &rst ixpk= 27, nxpk= 15, iat=1118,1116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 70 VAL HB 70 VAL HN 4.50 (# 28:15 Unique 2.59, 2.95 A) &rst ixpk= 28, nxpk= 15, iat=1120,1116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:29 70 VAL HN 5.50 (# 29:15 Single Ambig) &rst ixpk= 29, nxpk= 15, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 704,1068, &end # # 69 LEU HG 70 VAL HN 5.50 (# 30:15 Preassigned 4.55, 4.62 A) &rst ixpk= 30, nxpk= 15, iat=1104,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 70 VAL QG- 70 VAL HN 3.50 (# 31:15 Unique 2.28, 4.13 A) &rst ixpk= 31, nxpk= 15, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1122,1123,1124,1126,1127,1128, &end # # 69 LEU QD- 70 VAL HN 3.50 (# 32:15 Preassigned 2.29, 3.60 A) &rst ixpk= 32, nxpk= 15, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1106,1107,1108,1110,1111,1112, &end # # 0 AMB 15-3:33 70 VAL HN 2.80 (# 33:15 Single Ambig) &rst ixpk= 33, nxpk= 15, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1122,1123,1124,1126,1127,1128,1106,1107,1108,1110, 1111,1112, &end # # 0 AMB 15-3:34 50 LEU HN 4.50 (# 34:15 Single Ambig) &rst ixpk= 34, nxpk= 15, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 681, 719, &end # # 51 GLU HN 50 LEU HN 5.50 (# 35:15 Preassigned 4.50, 4.54 A) &rst ixpk= 35, nxpk= 15, iat= 814, 795, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 44 ILE HA 50 LEU HN 4.50 (# 36:15 Preassigned 2.80, 2.91 A) &rst ixpk= 36, nxpk= 15, iat= 702, 795, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 49 GLN HA 50 LEU HN 2.80 (# 37:15 Preassigned 2.14, 2.20 A) &rst ixpk= 37, nxpk= 15, iat= 780, 795, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 50 LEU HA 50 LEU HN 4.50 (# 38:15 Preassigned 2.86, 2.91 A) &rst ixpk= 38, nxpk= 15, iat= 797, 795, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:39 50 LEU HN 3.50 (# 39:15 Single Ambig) &rst ixpk= 39, nxpk= 15, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 785, 786, 785, 786, &end # # 49 GLN HB- 50 LEU HN 3.50 (# 40:15 Unique 2.79, 3.96 A) &rst ixpk= 40, nxpk= 15, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 782, 783, &end # # 0 AMB 15-3:41 50 LEU HN 2.80 (# 41:15 Single Ambig) &rst ixpk= 41, nxpk= 15, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 802, 799, 800, &end # # 50 LEU HB- 50 LEU HN 3.50 (# 42:15 Preassigned 2.54, 3.22 A) &rst ixpk= 42, nxpk= 15, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 799, 800, &end # # 44 ILE QD1 50 LEU HN 5.50 (# 43:15 Preassigned 6.05, 6.55 A) &rst ixpk= 43, nxpk= 15, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 713, 714, 715, &end # # 50 LEU QD+ 50 LEU HN 3.50 (# 44:15 Preassigned 2.18, 4.01 A) &rst ixpk= 44, nxpk= 15, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 804, 805, 806, 808, 809, 810, &end # # 0 AMB 15-3:46 71 LEU HN 4.50 (# 46:15 Single Ambig) &rst ixpk= 46, nxpk= 15, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1116, 129, &end # # 70 VAL HA 71 LEU HN 2.80 (# 49:15 Preassigned 2.38, 2.43 A) &rst ixpk= 49, nxpk= 15, iat=1118,1132, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 8 LEU HG 71 LEU HN 5.50 (# 50:15 Preassigned 4.72, 5.30 A) &rst ixpk= 50, nxpk= 15, iat= 136,1132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 70 VAL HB 71 LEU HN 4.50 (# 51:15 Unique 2.12, 3.32 A) &rst ixpk= 51, nxpk= 15, iat=1120,1132, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 71 LEU HB- 71 LEU HN 3.50 (# 53:15 Preassigned 2.15, 2.75 A) &rst ixpk= 53, nxpk= 15, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1136,1137, &end # # 8 LEU QD- 71 LEU HN 4.50 (# 54:15 Preassigned 3.98, 6.37 A) &rst ixpk= 54, nxpk= 15, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 138, 139, 140, 142, 143, 144, &end # # 8 LEU QD+ 71 LEU HN 4.50 (# 55:15 Preassigned 3.98, 6.37 A) &rst ixpk= 55, nxpk= 15, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 138, 139, 140, 142, 143, 144, &end # # 70 VAL QG- 71 LEU HN 3.50 (# 56:15 Preassigned 1.79, 3.61 A) &rst ixpk= 56, nxpk= 15, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1122,1123,1124,1126,1127,1128, &end # # 69 LEU QD- 71 LEU HN 4.50 (# 57:15 Preassigned 4.31, 5.50 A) &rst ixpk= 57, nxpk= 15, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1106,1107,1108,1110,1111,1112, &end # # 70 VAL QG+ 71 LEU HN 3.50 (# 58:15 Unique 1.79, 3.61 A) &rst ixpk= 58, nxpk= 15, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1122,1123,1124,1126,1127,1128, &end # # 5 VAL HN 15 LEU HN 4.50 (# 59:15 Preassigned 3.85, 3.90 A) &rst ixpk= 59, nxpk= 15, iat= 77, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 14 THR HN 15 LEU HN 4.50 (# 60:15 Preassigned 4.49, 4.52 A) &rst ixpk= 60, nxpk= 15, iat= 224, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 3 ILE HN 15 LEU HN 3.50 (# 61:15 Preassigned 2.53, 2.60 A) &rst ixpk= 61, nxpk= 15, iat= 38, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 16 GLU HN 15 LEU HN 4.50 (# 62:15 Preassigned 4.35, 4.37 A) &rst ixpk= 62, nxpk= 15, iat= 257, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 4 PHE HD2 15 LEU HN 4.50 (# 63:15 Unique 4.55, 4.61 A) &rst ixpk= 63, nxpk= 15, iat= 73, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 4 PHE HA 15 LEU HN 4.50 (# 64:15 Preassigned 3.70, 3.74 A) &rst ixpk= 64, nxpk= 15, iat= 59, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 2 GLN HA 15 LEU HN 4.50 (# 65:15 Preassigned 4.43, 4.54 A) &rst ixpk= 65, nxpk= 15, iat= 23, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 14 THR HA 15 LEU HN 2.80 (# 66:15 Preassigned 2.15, 2.16 A) &rst ixpk= 66, nxpk= 15, iat= 226, 238, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 15 LEU HA 15 LEU HN 3.50 (# 67:15 Preassigned 2.94, 2.94 A) &rst ixpk= 67, nxpk= 15, iat= 240, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 14 THR HB 15 LEU HN 4.50 (# 68:15 Preassigned 4.02, 4.07 A) &rst ixpk= 68, nxpk= 15, iat= 228, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:69 15 LEU HN 4.50 (# 69:15 Single Ambig) &rst ixpk= 69, nxpk= 15, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 25, 26, 28, 29, &end # # 15 LEU HB- 15 LEU HN 3.50 (# 70:15 Preassigned 2.83, 3.36 A) &rst ixpk= 70, nxpk= 15, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 242, 243, &end # # 14 THR QG2 15 LEU HN 2.80 (# 71:15 Preassigned 2.91, 3.48 A) &rst ixpk= 71, nxpk= 15, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 230, 231, 232, &end # # 0 AMB 15-3:72 15 LEU HN 3.50 (# 72:15 Single Ambig) &rst ixpk= 72, nxpk= 15, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251, 252, 253, 83, 84, 85, 87, 88, 89, 83, 84, 85, 87, 88, 89, &end # # 50 LEU QD- 45 PHE HN 4.50 (# 73:15 Preassigned 2.42, 4.47 A) &rst ixpk= 73, nxpk= 15, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 804, 805, 806, 808, 809, 810, &end # # 44 ILE HN 45 PHE HN 4.50 (# 74:15 Preassigned 4.35, 4.41 A) &rst ixpk= 74, nxpk= 15, iat= 700, 719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 68 HIS HN 45 PHE HN 5.50 (# 75:15 Preassigned 4.86, 4.93 A) &rst ixpk= 75, nxpk= 15, iat=1080, 719, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:76 45 PHE HN 4.50 (# 76:15 Single Ambig) &rst ixpk= 76, nxpk= 15, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 795, 749, &end # # 48 LYS HN 45 PHE HN 3.50 (# 77:15 Preassigned 2.76, 2.87 A) &rst ixpk= 77, nxpk= 15, iat= 756, 719, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:78 45 PHE HN 4.50 (# 78:15 Single Ambig) &rst ixpk= 78, nxpk= 15, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 727, 735, &end # # 45 PHE HA 45 PHE HN 4.50 (# 79:15 Preassigned 2.93, 2.93 A) &rst ixpk= 79, nxpk= 15, iat= 721, 719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 44 ILE HA 45 PHE HN 2.80 (# 80:15 Preassigned 2.18, 2.20 A) &rst ixpk= 80, nxpk= 15, iat= 702, 719, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 49 GLN HA 45 PHE HN 4.50 (# 81:15 Preassigned 3.18, 3.29 A) &rst ixpk= 81, nxpk= 15, iat= 780, 719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 45 PHE HB+ 45 PHE HN 4.50 (# 82:15 Preassigned 2.75, 2.99 A) &rst ixpk= 82, nxpk= 15, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 723, 724, &end # # 45 PHE HB- 45 PHE HN 4.50 (# 83:15 Preassigned 2.75, 2.99 A) &rst ixpk= 83, nxpk= 15, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 723, 724, &end # # 0 AMB 15-3:84 45 PHE HN 4.50 (# 84:15 Single Ambig) &rst ixpk= 84, nxpk= 15, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 760, 761, 760, 761, &end # # 44 ILE HB 45 PHE HN 4.50 (# 85:15 Preassigned 3.98, 4.14 A) &rst ixpk= 85, nxpk= 15, iat= 704, 719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:86 45 PHE HN 4.50 (# 86:15 Single Ambig) &rst ixpk= 86, nxpk= 15, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 763, 764, 763, 764, &end # # 44 ILE HG1- 45 PHE HN 4.50 (# 87:15 Preassigned 3.62, 4.42 A) &rst ixpk= 87, nxpk= 15, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 710, 711, &end # # 44 ILE QG2 45 PHE HN 2.80 (# 88:15 Unique 2.27, 3.17 A) &rst ixpk= 88, nxpk= 15, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 706, 707, 708, &end # # 50 LEU QD+ 45 PHE HN 4.50 (# 89:15 Preassigned 2.42, 4.47 A) &rst ixpk= 89, nxpk= 15, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 804, 805, 806, 808, 809, 810, &end # # 61 ILE HG1- 62 GLN HN 4.50 (# 90:15 Preassigned 4.77, 4.87 A) &rst ixpk= 90, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 973, 974, &end # # 63 LYS HN 62 GLN HN 4.50 (# 91:15 Preassigned 3.72, 3.77 A) &rst ixpk= 91, nxpk= 15, iat= 999, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 62 GLN HE2+ 62 GLN HN 4.50 (# 92:15 Unique 1.90, 3.82 A) &rst ixpk= 92, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 994, 995, &end # # 62 GLN HA 62 GLN HN 3.50 (# 93:15 Preassigned 2.94, 2.94 A) &rst ixpk= 93, nxpk= 15, iat= 984, 982, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:94 62 GLN HN 4.50 (# 94:15 Single Ambig) &rst ixpk= 94, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1040,1041,1001, &end # # 65 SER HB- 62 GLN HN 4.50 (# 95:15 Preassigned 4.13, 4.70 A) &rst ixpk= 95, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1040,1041, &end # # 61 ILE HA 62 GLN HN 2.80 (# 96:15 Preassigned 2.20, 2.22 A) &rst ixpk= 96, nxpk= 15, iat= 965, 982, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 62 GLN HG- 62 GLN HN 2.80 (# 97:15 Preassigned 2.36, 3.24 A) &rst ixpk= 97, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 989, 990, &end # # 0 AMB 15-3:98 62 GLN HN 3.50 (# 98:15 Single Ambig) &rst ixpk= 98, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 986, 987, 986, 987, &end # # 61 ILE HG1+ 62 GLN HN 4.50 (# 99:15 Preassigned 4.77, 4.87 A) &rst ixpk= 99, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 973, 974, &end # # 61 ILE QG2 62 GLN HN 3.50 (# 100:15 Preassigned 3.22, 4.26 A) &rst ixpk= 100, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 969, 970, 971, &end # # 55 THR HN 58 ASP HN 4.50 (# 101:15 Preassigned 3.46, 3.47 A) &rst ixpk= 101, nxpk= 15, iat= 872, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 57 SER HN 58 ASP HN 3.50 (# 102:15 Preassigned 2.65, 2.66 A) &rst ixpk= 102, nxpk= 15, iat= 905, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:103 58 ASP HN 4.50 (# 103:15 Single Ambig) &rst ixpk= 103, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 886, 949, &end # # 59 TYR HN 58 ASP HN 3.50 (# 104:15 Preassigned 2.58, 2.59 A) &rst ixpk= 104, nxpk= 15, iat= 928, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 THR HA 58 ASP HN 5.50 (# 105:15 Preassigned 4.41, 4.42 A) &rst ixpk= 105, nxpk= 15, iat= 874, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:107 58 ASP HN 5.50 (# 107:15 Single Ambig) &rst ixpk= 107, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 930, 850, &end # # 55 THR HB 58 ASP HN 3.50 (# 108:15 Preassigned 3.35, 3.38 A) &rst ixpk= 108, nxpk= 15, iat= 876, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:109 58 ASP HN 3.50 (# 109:15 Single Ambig) &rst ixpk= 109, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 918, 907, &end # # 57 SER HB- 58 ASP HN 3.50 (# 110:15 Preassigned 3.08, 3.54 A) &rst ixpk= 110, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 909, 910, &end # # 58 ASP HB+ 58 ASP HN 3.50 (# 111:15 Preassigned 2.13, 2.57 A) &rst ixpk= 111, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 920, 921, &end # # 58 ASP HB- 58 ASP HN 3.50 (# 112:15 Preassigned 2.13, 2.57 A) &rst ixpk= 112, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 920, 921, &end # # 0 AMB 15-3:113 58 ASP HN 4.50 (# 113:15 Single Ambig) &rst ixpk= 113, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 878, 879, 880, 973, 974, &end # # 72 ARG HA 73 LEU HN 3.50 (# 116:15 Preassigned 3.23, 3.30 A) &rst ixpk= 116, nxpk= 15, iat=1153,1175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:117 73 LEU HN 5.50 (# 117:15 Single Ambig) &rst ixpk= 117, nxpk= 15, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 630, 631, 630, 631, &end # # 0 AMB 15-3:118 73 LEU HN 5.50 (# 118:15 Single Ambig) &rst ixpk= 118, nxpk= 15, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1161,1162,1161,1162,1204,1205, &end # # 71 LEU HB+ 73 LEU HN 3.50 (# 119:15 Unique 2.21, 3.14 A) &rst ixpk= 119, nxpk= 15, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1136,1137, &end # # 0 AMB 15-3:120 73 LEU HN 3.50 (# 120:15 Single Ambig) &rst ixpk= 120, nxpk= 15, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1=1136,1137,1155,1156,1139, &end # # 73 LEU QD+ 73 LEU HN 3.50 (# 121:15 Preassigned 3.17, 4.69 A) &rst ixpk= 121, nxpk= 15, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1184,1185,1186,1188,1189,1190, &end # # 44 ILE HN 43 LEU HN 4.50 (# 122:15 Preassigned 4.33, 4.47 A) &rst ixpk= 122, nxpk= 15, iat= 700, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 42 ARG HA 43 LEU HN 2.80 (# 123:15 Preassigned 2.18, 2.28 A) &rst ixpk= 123, nxpk= 15, iat= 659, 681, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 15-3:124 43 LEU HN 4.50 (# 124:15 Single Ambig) &rst ixpk= 124, nxpk= 15, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 661, 662,1120, &end # # 0 AMB 15-3:125 43 LEU HN 4.50 (# 125:15 Single Ambig) &rst ixpk= 125, nxpk= 15, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 785, 786, 785, 786, &end # # 27 LYS HE- 43 LEU HN 5.50 (# 126:15 Preassigned 2.11, 2.81 A) &rst ixpk= 126, nxpk= 15, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 431, 432, &end # # 42 ARG HD- 43 LEU HN 5.50 (# 127:15 Preassigned 4.40, 4.81 A) &rst ixpk= 127, nxpk= 15, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 667, 668, &end # # 42 ARG HN 43 LEU HN 4.50 (# 129:15 Preassigned 4.52, 4.57 A) &rst ixpk= 129, nxpk= 15, iat= 657, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 43 LEU HA 43 LEU HN 4.50 (# 130:15 Preassigned 2.91, 2.94 A) &rst ixpk= 130, nxpk= 15, iat= 683, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 44 ILE HG1- 43 LEU HN 4.50 (# 132:15 Preassigned 4.48, 5.12 A) &rst ixpk= 132, nxpk= 15, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 710, 711, &end # # 0 AMB 15-3:133 43 LEU HN 3.50 (# 133:15 Single Ambig) &rst ixpk= 133, nxpk= 15, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694, 695, 696, 360, 361, 362, &end # # 50 LEU QD+ 43 LEU HN 5.50 (# 134:15 Preassigned 4.24, 6.29 A) &rst ixpk= 134, nxpk= 15, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 804, 805, 806, 808, 809, 810, &end # # 43 LEU HB+ 43 LEU HN 3.50 (# 135:15 Preassigned 2.15, 2.80 A) &rst ixpk= 135, nxpk= 15, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 685, 686, &end # # 0 AMB 15-3:136 43 LEU HN 2.80 (# 136:15 Single Ambig) &rst ixpk= 136, nxpk= 15, iat= -1, 681, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 664, 665, 664, 665, 685, 686, &end # # 18 GLU HN 21 ASP HN 4.50 (# 137:15 Preassigned 4.01, 4.05 A) &rst ixpk= 137, nxpk= 15, iat= 288, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 20 SER HN 21 ASP HN 3.50 (# 138:15 Preassigned 2.17, 2.24 A) &rst ixpk= 138, nxpk= 15, iat= 317, 328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 21 ASP HA 21 ASP HN 3.50 (# 139:15 Preassigned 2.87, 2.88 A) &rst ixpk= 139, nxpk= 15, iat= 330, 328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 20 SER HA 21 ASP HN 4.50 (# 140:15 Preassigned 3.20, 3.23 A) &rst ixpk= 140, nxpk= 15, iat= 319, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:141 21 ASP HN 3.50 (# 141:15 Single Ambig) &rst ixpk= 141, nxpk= 15, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 313, 321, 322, &end # # 0 AMB 15-3:142 21 ASP HN 4.50 (# 142:15 Single Ambig) &rst ixpk= 142, nxpk= 15, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 321, 322, 304, 305, &end # # 21 ASP HB- 21 ASP HN 2.80 (# 143:15 Preassigned 2.13, 2.85 A) &rst ixpk= 143, nxpk= 15, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 332, 333, &end # # 21 ASP HB+ 21 ASP HN 3.50 (# 144:15 Preassigned 2.13, 2.85 A) &rst ixpk= 144, nxpk= 15, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 332, 333, &end # # 18 GLU HG- 21 ASP HN 4.50 (# 145:15 Unique 2.20, 3.97 A) &rst ixpk= 145, nxpk= 15, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 295, 296, &end # # 18 GLU HB+ 21 ASP HN 3.50 (# 146:15 Preassigned 2.87, 3.94 A) &rst ixpk= 146, nxpk= 15, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 292, 293, &end # # 18 GLU HB- 21 ASP HN 3.50 (# 147:15 Preassigned 2.87, 3.94 A) &rst ixpk= 147, nxpk= 15, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 292, 293, &end # # 26 VAL QG+ 21 ASP HN 5.50 (# 148:15 Preassigned 5.66, 7.32 A) &rst ixpk= 148, nxpk= 15, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 408, 409, 410, 412, 413, 414, &end # # 0 AMB 15-3:149 21 ASP HN 3.50 (# 149:15 Single Ambig) &rst ixpk= 149, nxpk= 15, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 895, 896, 897, 899, 900, 901, 408, 409, 410, 412, 413, 414, &end # # 30 ILE HN 31 GLN HN 3.50 (# 150:15 Preassigned 2.64, 2.68 A) &rst ixpk= 150, nxpk= 15, iat= 472, 491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 32 ASP HN 31 GLN HN 3.50 (# 151:15 Preassigned 2.57, 2.59 A) &rst ixpk= 151, nxpk= 15, iat= 508, 491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:152 31 GLN HN 4.50 (# 152:15 Single Ambig) &rst ixpk= 152, nxpk= 15, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 450, 440, &end # # 41 GLN HE2- 31 GLN HN 3.50 (# 153:15 Preassigned 2.30, 3.14 A) &rst ixpk= 153, nxpk= 15, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 652, 653, &end # # 41 GLN HE2+ 31 GLN HN 4.50 (# 154:15 Preassigned 2.30, 3.14 A) &rst ixpk= 154, nxpk= 15, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 652, 653, &end # # 27 LYS HA 31 GLN HN 4.50 (# 155:15 Preassigned 4.55, 4.57 A) &rst ixpk= 155, nxpk= 15, iat= 420, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:156 31 GLN HN 3.50 (# 156:15 Single Ambig) &rst ixpk= 156, nxpk= 15, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 442, 452, &end # # 31 GLN HA 31 GLN HN 3.50 (# 157:15 Preassigned 2.82, 2.83 A) &rst ixpk= 157, nxpk= 15, iat= 493, 491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 30 ILE HA 31 GLN HN 4.50 (# 158:15 Preassigned 3.50, 3.51 A) &rst ixpk= 158, nxpk= 15, iat= 474, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 31 GLN HB+ 31 GLN HN 3.50 (# 159:15 Preassigned 2.48, 2.53 A) &rst ixpk= 159, nxpk= 15, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 495, 496, &end # # 34 GLU HB+ 31 GLN HN 4.50 (# 160:15 Unique 4.83, 5.73 A) &rst ixpk= 160, nxpk= 15, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 546, 547, &end # # 31 GLN HB- 31 GLN HN 2.80 (# 161:15 Preassigned 2.48, 2.53 A) &rst ixpk= 161, nxpk= 15, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 495, 496, &end # # 0 AMB 15-3:162 31 GLN HN 3.50 (# 162:15 Single Ambig) &rst ixpk= 162, nxpk= 15, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 482, 483, 478, 479, 480, &end # # 27 LYS HN 28 ALA HN 3.50 (# 163:15 Preassigned 2.85, 2.86 A) &rst ixpk= 163, nxpk= 15, iat= 418, 440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 26 VAL HN 28 ALA HN 4.50 (# 164:15 Preassigned 4.34, 4.37 A) &rst ixpk= 164, nxpk= 15, iat= 402, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 25 ASN HA 28 ALA HN 3.50 (# 165:15 Preassigned 3.61, 3.67 A) &rst ixpk= 165, nxpk= 15, iat= 390, 440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 28 ALA HA 28 ALA HN 3.50 (# 166:15 Preassigned 2.75, 2.76 A) &rst ixpk= 166, nxpk= 15, iat= 442, 440, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 24 GLU HA 28 ALA HN 4.50 (# 167:15 Preassigned 4.48, 4.53 A) &rst ixpk= 167, nxpk= 15, iat= 375, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 25 ASN HB+ 28 ALA HN 5.50 (# 168:15 Preassigned 5.54, 5.82 A) &rst ixpk= 168, nxpk= 15, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 392, 393, &end # # 0 AMB 15-3:169 28 ALA HN 4.50 (# 169:15 Single Ambig) &rst ixpk= 169, nxpk= 15, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 380, 381, 380, 381, 406, 476, &end # # 27 LYS HB- 28 ALA HN 3.50 (# 170:15 Preassigned 2.36, 2.97 A) &rst ixpk= 170, nxpk= 15, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 422, 423, &end # # 29 LYS HG- 28 ALA HN 4.50 (# 171:15 Unique 4.36, 4.69 A) &rst ixpk= 171, nxpk= 15, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 457, 458, &end # # 28 ALA QB 28 ALA HN 2.80 (# 172:15 Unique 2.10, 2.88 A) &rst ixpk= 172, nxpk= 15, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 444, 445, 446, &end # # 27 LYS HB+ 28 ALA HN 3.50 (# 173:15 Preassigned 2.36, 2.97 A) &rst ixpk= 173, nxpk= 15, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 422, 423, &end # # 0 AMB 15-3:174 28 ALA HN 4.50 (# 174:15 Single Ambig) &rst ixpk= 174, nxpk= 15, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 482, 483, 408, 409, 410, 412, 413, 414, &end # # 50 LEU QD- 51 GLU HN 4.50 (# 175:15 Preassigned 4.13, 5.27 A) &rst ixpk= 175, nxpk= 15, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 804, 805, 806, 808, 809, 810, &end # # 59 TYR HE1 51 GLU HN 3.50 (# 176:15 Preassigned 2.75, 2.89 A) &rst ixpk= 176, nxpk= 15, iat= 938, 814, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 7 THR HB 69 LEU HN 4.50 (# 177:15 Preassigned 4.73, 4.77 A) &rst ixpk= 177, nxpk= 15, iat= 119,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 51 GLU HA 51 GLU HN 3.50 (# 178:15 Preassigned 2.93, 2.94 A) &rst ixpk= 178, nxpk= 15, iat= 816, 814, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 50 LEU HA 51 GLU HN 2.80 (# 179:15 Preassigned 2.39, 2.46 A) &rst ixpk= 179, nxpk= 15, iat= 797, 814, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 51 GLU HG+ 51 GLU HN 3.50 (# 180:15 Preassigned 2.54, 3.26 A) &rst ixpk= 180, nxpk= 15, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 821, 822, &end # # 51 GLU HB+ 51 GLU HN 3.50 (# 181:15 Preassigned 2.90, 3.41 A) &rst ixpk= 181, nxpk= 15, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 818, 819, &end # # 0 AMB 15-3:182 69 LEU HN 4.50 (# 182:15 Single Ambig) &rst ixpk= 182, nxpk= 15, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1= 81, 133, 134, 133, 134, 482, 483, &end # # 50 LEU HB+ 51 GLU HN 3.50 (# 183:15 Preassigned 2.29, 2.81 A) &rst ixpk= 183, nxpk= 15, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 799, 800, &end # # 0 AMB 15-3:184 0 AMB 15-1:184 4.50 (# 184:15 Double Ambig) &rst ixpk= 184, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1101,1102, 799, 800, igr2=1097, 814, &end # # 0 AMB 15-3:185 51 GLU HN 4.50 (# 185:15 Single Ambig) &rst ixpk= 185, nxpk= 15, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 804, 805, 806, 808, 809, 810, 367, 368, 369, &end # # 0 AMB 15-3:186 69 LEU HN 3.50 (# 186:15 Single Ambig) &rst ixpk= 186, nxpk= 15, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 129, 93,1080,1116, &end # # 0 AMB 15-3:187 69 LEU HN 2.80 (# 187:15 Single Ambig) &rst ixpk= 187, nxpk= 15, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1=1082,1099, &end # # 7 THR HB 69 LEU HN 4.50 (# 188:15 Preassigned 4.73, 4.77 A) &rst ixpk= 188, nxpk= 15, iat= 119,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 68 HIS HB+ 69 LEU HN 3.50 (# 189:15 Preassigned 3.46, 4.03 A) &rst ixpk= 189, nxpk= 15, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1084,1085, &end # # 68 HIS HB- 69 LEU HN 4.50 (# 190:15 Preassigned 3.46, 4.03 A) &rst ixpk= 190, nxpk= 15, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1084,1085, &end # # 69 LEU HB- 69 LEU HN 3.50 (# 191:15 Preassigned 2.22, 2.59 A) &rst ixpk= 191, nxpk= 15, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1101,1102, &end # # 23 ILE HG1- 51 GLU HN 3.50 (# 192:15 Unique 2.44, 2.84 A) &rst ixpk= 192, nxpk= 15, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 364, 365, &end # # 0 AMB 15-3:193 0 AMB 15-1:193 3.50 (# 193:15 Double Ambig) &rst ixpk= 193, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=1101,1102, 799, 800, igr2=1097, 814, &end # # 0 AMB 15-3:194 69 LEU HN 3.50 (# 194:15 Single Ambig) &rst ixpk= 194, nxpk= 15, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=1106,1107,1108,1110,1111,1112,1122,1123,1124,1126, 1127,1128, 690, 691, 692, 694, 695, 696, 690, 691, 692, 694, 695, 696, &end # # 0 AMB 15-3:195 69 LEU HN 3.50 (# 195:15 Single Ambig) &rst ixpk= 195, nxpk= 15, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87, 88, 89,1106,1107,1108,1110,1111,1112, &end # # 0 AMB 15-3:196 14 THR HN 4.50 (# 196:15 Single Ambig) &rst ixpk= 196, nxpk= 15, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57, igr1= 218, 219, 220, 83, 84, 85, 87, 88, 89, 83, 84, 85, 87, 88, 89, &end # # 13 ILE QG2 14 THR HN 4.50 (# 197:15 Preassigned 4.80, 5.29 A) &rst ixpk= 197, nxpk= 15, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 211, 212, 213, &end # # 14 THR QG2 14 THR HN 4.50 (# 198:15 Preassigned 4.44, 4.57 A) &rst ixpk= 198, nxpk= 15, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 230, 231, 232, &end # # 13 ILE HG1+ 14 THR HN 4.50 (# 199:15 Preassigned 2.99, 3.80 A) &rst ixpk= 199, nxpk= 15, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 215, 216, &end # # 13 ILE HB 14 THR HN 4.50 (# 200:15 Preassigned 4.22, 4.27 A) &rst ixpk= 200, nxpk= 15, iat= 209, 224, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 14 THR HB 14 THR HN 3.50 (# 201:15 Preassigned 2.65, 2.66 A) &rst ixpk= 201, nxpk= 15, iat= 228, 224, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 13 ILE HA 14 THR HN 2.80 (# 202:15 Preassigned 2.15, 2.17 A) &rst ixpk= 202, nxpk= 15, iat= 207, 224, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 15-3:203 14 THR HN 4.50 (# 203:15 Single Ambig) &rst ixpk= 203, nxpk= 15, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 238, 191, &end # # 13 ILE HN 14 THR HN 4.50 (# 204:15 Preassigned 4.13, 4.19 A) &rst ixpk= 204, nxpk= 15, iat= 205, 224, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 50 LEU QD+ 44 ILE HN 4.50 (# 205:15 Preassigned 3.08, 5.37 A) &rst ixpk= 205, nxpk= 15, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 804, 805, 806, 808, 809, 810, &end # # 0 AMB 15-3:206 44 ILE HN 3.50 (# 206:15 Single Ambig) &rst ixpk= 206, nxpk= 15, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 706, 707, 708,1070,1071,1072,1074,1075,1076, 713, 714, 715, 83, 84, 85, 87, 88, 89, 83, 84, 85, 87, 88, 89, &end # # 0 AMB 15-3:207 44 ILE HN 3.50 (# 207:15 Single Ambig) &rst ixpk= 207, nxpk= 15, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694, 695, 696, &end # # 44 ILE HG1- 44 ILE HN 3.50 (# 208:15 Preassigned 3.12, 3.70 A) &rst ixpk= 208, nxpk= 15, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 710, 711, &end # # 43 LEU HB+ 44 ILE HN 3.50 (# 209:15 Preassigned 3.16, 3.85 A) &rst ixpk= 209, nxpk= 15, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 685, 686, &end # # 44 ILE HG1+ 44 ILE HN 3.50 (# 210:15 Preassigned 3.12, 3.70 A) &rst ixpk= 210, nxpk= 15, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 710, 711, &end # # 0 AMB 15-3:211 44 ILE HN 3.50 (# 211:15 Single Ambig) &rst ixpk= 211, nxpk= 15, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 685, 686, 664, 665, 664, 665, &end # # 44 ILE HB 44 ILE HN 3.50 (# 212:15 Preassigned 2.36, 2.58 A) &rst ixpk= 212, nxpk= 15, iat= 704, 700, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 68 HIS HB- 44 ILE HN 4.50 (# 213:15 Preassigned 3.11, 3.39 A) &rst ixpk= 213, nxpk= 15, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1084,1085, &end # # 68 HIS HB+ 44 ILE HN 4.50 (# 214:15 Preassigned 3.11, 3.39 A) &rst ixpk= 214, nxpk= 15, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1084,1085, &end # # 44 ILE HA 44 ILE HN 3.50 (# 215:15 Preassigned 2.94, 2.94 A) &rst ixpk= 215, nxpk= 15, iat= 702, 700, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:216 44 ILE HN 3.50 (# 216:15 Single Ambig) &rst ixpk= 216, nxpk= 15, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1099,1082, 721, &end # # 43 LEU HA 44 ILE HN 2.80 (# 217:15 Preassigned 2.14, 2.20 A) &rst ixpk= 217, nxpk= 15, iat= 683, 700, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 15-3:218 44 ILE HN 4.50 (# 218:15 Single Ambig) &rst ixpk= 218, nxpk= 15, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 681, 719, &end # # 68 HIS HN 44 ILE HN 3.50 (# 219:15 Preassigned 2.74, 2.97 A) &rst ixpk= 219, nxpk= 15, iat=1080, 700, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:220 2 GLN HN 4.50 (# 220:15 Single Ambig) &rst ixpk= 220, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1006,1007,1006,1007, &end # # 2 GLN HB+ 2 GLN HN 3.50 (# 221:15 Preassigned 2.99, 3.47 A) &rst ixpk= 221, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 25, 26, &end # # 2 GLN HB- 2 GLN HN 2.80 (# 222:15 Preassigned 2.99, 3.47 A) &rst ixpk= 222, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 25, 26, &end # # 1 MET HB- 2 GLN HN 2.80 (# 223:15 Preassigned 2.28, 3.11 A) &rst ixpk= 223, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 8, 9, &end # # 0 AMB 15-3:224 2 GLN HN 3.50 (# 224:15 Single Ambig) &rst ixpk= 224, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 28, 29,1028,1029,1028,1029, 264, 265, &end # # 1 MET HG+ 2 GLN HN 4.50 (# 225:15 Preassigned 2.15, 2.84 A) &rst ixpk= 225, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 11, 12, &end # # 63 LYS HA 2 GLN HN 4.50 (# 226:15 Preassigned 3.28, 3.33 A) &rst ixpk= 226, nxpk= 15, iat=1001, 21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 1 MET HA 2 GLN HN 2.80 (# 227:15 Preassigned 2.57, 2.60 A) &rst ixpk= 227, nxpk= 15, iat= 6, 21, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 2 GLN HA 2 GLN HN 3.50 (# 229:15 Preassigned 2.92, 2.92 A) &rst ixpk= 229, nxpk= 15, iat= 23, 21, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 3 ILE HN 2 GLN HN 4.50 (# 230:15 Preassigned 4.41, 4.42 A) &rst ixpk= 230, nxpk= 15, iat= 38, 21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 48 LYS HN 49 GLN HN 4.50 (# 231:15 Preassigned 4.19, 4.34 A) &rst ixpk= 231, nxpk= 15, iat= 756, 778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:232 49 GLN HN 2.80 (# 232:15 Single Ambig) &rst ixpk= 232, nxpk= 15, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 758, 780, &end # # 0 AMB 15-3:233 49 GLN HN 3.50 (# 233:15 Single Ambig) &rst ixpk= 233, nxpk= 15, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 785, 786, 785, 786, &end # # 0 AMB 15-3:234 49 GLN HN 2.80 (# 234:15 Single Ambig) &rst ixpk= 234, nxpk= 15, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 766, 767, 766, 767, 782, 783, 760, 761, &end # # 0 AMB 15-3:235 49 GLN HN 3.50 (# 235:15 Single Ambig) &rst ixpk= 235, nxpk= 15, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 763, 764, 763, 764, &end # # 0 AMB 15-3:236 49 GLN HN 4.50 (# 236:15 Single Ambig) &rst ixpk= 236, nxpk= 15, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 706, 707, 708, 713, 714, 715, &end # # 74 ARG HA 74 ARG HN 3.50 (# 238:15 Preassigned 2.27, 2.28 A) &rst ixpk= 238, nxpk= 15, iat=1196,1194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 40 GLN HA 74 ARG HN 4.50 (# 239:15 Preassigned 1.70, 1.85 A) &rst ixpk= 239, nxpk= 15, iat= 625,1194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:240 74 ARG HN 4.50 (# 240:15 Single Ambig) &rst ixpk= 240, nxpk= 15, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1161,1162,1161,1162,1204,1205,1204,1205, &end # # 0 AMB 15-3:242 74 ARG HN 4.50 (# 242:15 Single Ambig) &rst ixpk= 242, nxpk= 15, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 630, 631, 630, 631, 627, 628, &end # # 0 AMB 15-3:243 74 ARG HN 2.80 (# 243:15 Single Ambig) &rst ixpk= 243, nxpk= 15, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1155,1156,1198,1199, &end # # 0 AMB 15-3:244 74 ARG HN 3.50 (# 244:15 Single Ambig) &rst ixpk= 244, nxpk= 15, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1155,1156,1158,1159,1158,1159, &end # # 73 LEU QD+ 74 ARG HN 4.50 (# 246:15 Preassigned 4.73, 6.02 A) &rst ixpk= 246, nxpk= 15, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1184,1185,1186,1188,1189,1190, &end # # 70 VAL HN 42 ARG HN 4.50 (# 247:15 Preassigned 3.82, 3.91 A) &rst ixpk= 247, nxpk= 15, iat=1116, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 27 LYS HN 26 VAL HN 3.50 (# 248:15 Preassigned 2.70, 2.72 A) &rst ixpk= 248, nxpk= 15, iat= 418, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 25 ASN HN 26 VAL HN 3.50 (# 249:15 Preassigned 2.65, 2.68 A) &rst ixpk= 249, nxpk= 15, iat= 388, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 15 LEU HA 16 GLU HN 2.80 (# 250:15 Preassigned 2.17, 2.18 A) &rst ixpk= 250, nxpk= 15, iat= 240, 257, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 15-3:251 0 AMB 15-1:251 3.50 (# 251:15 Double Ambig) &rst ixpk= 251, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 659, 390, igr2= 657, 402, &end # # 41 GLN HA 42 ARG HN 2.80 (# 252:15 Preassigned 2.17, 2.18 A) &rst ixpk= 252, nxpk= 15, iat= 642, 657, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 23 ILE HA 26 VAL HN 4.50 (# 253:15 Preassigned 3.27, 3.30 A) &rst ixpk= 253, nxpk= 15, iat= 356, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 26 VAL HA 26 VAL HN 3.50 (# 254:15 Preassigned 2.79, 2.81 A) &rst ixpk= 254, nxpk= 15, iat= 404, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 25 ASN HB+ 26 VAL HN 3.50 (# 255:15 Preassigned 3.40, 3.76 A) &rst ixpk= 255, nxpk= 15, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 392, 393, &end # # 25 ASN HB- 26 VAL HN 3.50 (# 256:15 Preassigned 3.40, 3.76 A) &rst ixpk= 256, nxpk= 15, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 392, 393, &end # # 26 VAL HB 26 VAL HN 2.80 (# 257:15 Preassigned 2.51, 2.52 A) &rst ixpk= 257, nxpk= 15, iat= 406, 402, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 15-3:258 0 AMB 15-1:258 4.50 (# 258:15 Double Ambig) &rst ixpk= 258, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 647, 648, 332, 333, igr2= 657, 402, &end # # 17 VAL HN 16 GLU HN 4.50 (# 259:15 Preassigned 4.40, 4.45 A) &rst ixpk= 259, nxpk= 15, iat= 272, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 15 LEU HN 16 GLU HN 4.50 (# 260:15 Preassigned 4.35, 4.37 A) &rst ixpk= 260, nxpk= 15, iat= 238, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 16 GLU HG- 16 GLU HN 4.50 (# 261:15 Preassigned 3.29, 3.70 A) &rst ixpk= 261, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 264, 265, &end # # 16 GLU HG+ 16 GLU HN 3.50 (# 262:15 Preassigned 3.29, 3.70 A) &rst ixpk= 262, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 264, 265, &end # # 16 GLU HB- 16 GLU HN 2.80 (# 263:15 Preassigned 2.13, 2.78 A) &rst ixpk= 263, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 261, 262, &end # # 0 AMB 15-3:264 16 GLU HN 3.50 (# 264:15 Single Ambig) &rst ixpk= 264, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 242, 243, 245, &end # # 15 LEU HB+ 16 GLU HN 3.50 (# 265:15 Preassigned 3.12, 3.73 A) &rst ixpk= 265, nxpk= 15, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 242, 243, &end # # 26 VAL QG+ 26 VAL HN 2.80 (# 266:15 Preassigned 2.18, 3.78 A) &rst ixpk= 266, nxpk= 15, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 408, 409, 410, 412, 413, 414, &end # # 0 AMB 15-3:267 0 AMB 15-1:267 2.80 (# 267:15 Double Ambig) &rst ixpk= 267, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 408, 409, 410, 412, 413, 414, 247, 248, 249, 251, 252, 253, igr2= 402, 257, &end # # 7 THR HN 11 LYS HN 4.50 (# 268:15 Preassigned 2.97, 3.07 A) &rst ixpk= 268, nxpk= 15, iat= 115, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 12 THR HN 11 LYS HN 4.50 (# 269:15 Preassigned 4.49, 4.54 A) &rst ixpk= 269, nxpk= 15, iat= 191, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 10 GLY HN 11 LYS HN 2.80 (# 270:15 Preassigned 2.00, 2.07 A) &rst ixpk= 270, nxpk= 15, iat= 162, 169, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 7 THR HA 11 LYS HN 4.50 (# 271:15 Preassigned 4.81, 4.89 A) &rst ixpk= 271, nxpk= 15, iat= 117, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 7 THR HB 11 LYS HN 4.50 (# 272:15 Preassigned 4.06, 4.22 A) &rst ixpk= 272, nxpk= 15, iat= 119, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 10 GLY HA- 11 LYS HN 3.50 (# 273:15 Preassigned 2.99, 3.26 A) &rst ixpk= 273, nxpk= 15, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 164, 165, &end # # 11 LYS HA 11 LYS HN 3.50 (# 274:15 Preassigned 2.92, 2.93 A) &rst ixpk= 274, nxpk= 15, iat= 171, 169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 10 GLY HA+ 11 LYS HN 3.50 (# 275:15 Preassigned 2.99, 3.26 A) &rst ixpk= 275, nxpk= 15, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 164, 165, &end # # 11 LYS HB- 11 LYS HN 2.80 (# 276:15 Preassigned 2.22, 2.92 A) &rst ixpk= 276, nxpk= 15, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 173, 174, &end # # 11 LYS HB+ 11 LYS HN 2.80 (# 277:15 Preassigned 2.22, 2.92 A) &rst ixpk= 277, nxpk= 15, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 173, 174, &end # # 11 LYS HG+ 11 LYS HN 4.50 (# 278:15 Preassigned 3.39, 3.71 A) &rst ixpk= 278, nxpk= 15, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 176, 177, &end # # 0 AMB 15-3:279 11 LYS HN 3.50 (# 279:15 Single Ambig) &rst ixpk= 279, nxpk= 15, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 176, 177, 154, 155, 156, 121, 122, 123, &end # # 12 THR QG2 11 LYS HN 7.00 (# 280:15 Preassigned 6.89, 7.59 A) &rst ixpk= 280, nxpk= 15, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 197, 198, 199, &end # # 13 ILE HN 5 VAL HN 3.50 (# 281:15 Preassigned 3.50, 3.52 A) &rst ixpk= 281, nxpk= 15, iat= 205, 77, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 6 LYS HN 5 VAL HN 4.50 (# 282:15 Preassigned 4.06, 4.09 A) &rst ixpk= 282, nxpk= 15, iat= 93, 77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 4 PHE HD2 5 VAL HN 5.50 (# 283:15 Preassigned 4.65, 4.72 A) &rst ixpk= 283, nxpk= 15, iat= 73, 77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 PHE HA 5 VAL HN 2.80 (# 284:15 Preassigned 2.18, 2.19 A) &rst ixpk= 284, nxpk= 15, iat= 59, 77, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 15-3:285 5 VAL HN 4.50 (# 285:15 Single Ambig) &rst ixpk= 285, nxpk= 15, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1049, 95, &end # # 12 THR HA 5 VAL HN 4.50 (# 286:15 Preassigned 4.69, 4.73 A) &rst ixpk= 286, nxpk= 15, iat= 193, 77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 14 THR HA 5 VAL HN 4.50 (# 287:15 Preassigned 2.82, 2.89 A) &rst ixpk= 287, nxpk= 15, iat= 226, 77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 VAL HA 5 VAL HN 4.50 (# 288:15 Preassigned 2.90, 2.91 A) &rst ixpk= 288, nxpk= 15, iat= 79, 77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 4 PHE HB- 5 VAL HN 4.50 (# 289:15 Preassigned 3.89, 4.10 A) &rst ixpk= 289, nxpk= 15, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 61, 62, &end # # 4 PHE HB+ 5 VAL HN 3.50 (# 290:15 Preassigned 3.89, 4.10 A) &rst ixpk= 290, nxpk= 15, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 61, 62, &end # # 0 AMB 15-3:291 5 VAL HN 5.50 (# 291:15 Single Ambig) &rst ixpk= 291, nxpk= 15, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 209, 524, 525,1068, &end # # 5 VAL HB 5 VAL HN 3.50 (# 292:15 Preassigned 2.60, 2.72 A) &rst ixpk= 292, nxpk= 15, iat= 81, 77, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 13 ILE HG1+ 5 VAL HN 4.50 (# 293:15 Preassigned 4.52, 5.23 A) &rst ixpk= 293, nxpk= 15, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 215, 216, &end # # 0 AMB 15-3:294 5 VAL HN 3.50 (# 294:15 Single Ambig) &rst ixpk= 294, nxpk= 15, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1= 197, 198, 199, 215, 216, 48, 49, &end # # 13 ILE QG2 5 VAL HN 3.50 (# 295:15 Unique 3.14, 4.23 A) &rst ixpk= 295, nxpk= 15, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 211, 212, 213, &end # # 0 AMB 15-3:296 5 VAL HN 2.80 (# 296:15 Single Ambig) &rst ixpk= 296, nxpk= 15, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87, 88, 89, &end # # 22 THR HB 23 ILE HN 2.80 (# 297:15 Preassigned 2.87, 2.95 A) &rst ixpk= 297, nxpk= 15, iat= 344, 354, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 72 ARG HA 72 ARG HN 2.80 (# 298:15 Unique 2.75, 2.77 A) &rst ixpk= 298, nxpk= 15, iat=1153,1151, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 53 GLY HA+ 23 ILE HN 5.50 (# 299:15 Preassigned 5.35, 5.84 A) &rst ixpk= 299, nxpk= 15, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 843, 844, &end # # 23 ILE HA 23 ILE HN 3.50 (# 300:15 Preassigned 2.68, 2.72 A) &rst ixpk= 300, nxpk= 15, iat= 356, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:301 72 ARG HN 4.50 (# 301:15 Single Ambig) &rst ixpk= 301, nxpk= 15, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1161,1162,1161,1162, &end # # 0 AMB 15-3:303 72 ARG HN 2.80 (# 303:15 Single Ambig) &rst ixpk= 303, nxpk= 15, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1=1155,1156, 661, 662,1139, &end # # 23 ILE HG1- 23 ILE HN 3.50 (# 304:15 Preassigned 2.13, 2.95 A) &rst ixpk= 304, nxpk= 15, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 364, 365, &end # # 0 AMB 15-3:305 72 ARG HN 3.50 (# 305:15 Single Ambig) &rst ixpk= 305, nxpk= 15, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=1122,1123,1124,1126,1127,1128,1141,1142,1143,1145, 1146,1147,1141,1142,1143,1145,1146,1147,1184,1185, 1186,1188,1189,1190, &end # # 23 ILE QD1 23 ILE HN 3.50 (# 306:15 Preassigned 2.05, 3.01 A) &rst ixpk= 306, nxpk= 15, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 367, 368, 369, &end # # 55 THR HA 23 ILE HN 3.50 (# 307:15 Preassigned 2.54, 2.61 A) &rst ixpk= 307, nxpk= 15, iat= 874, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 31 GLN HN 30 ILE HN 3.50 (# 308:15 Preassigned 2.64, 2.68 A) &rst ixpk= 308, nxpk= 15, iat= 491, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 32 ASP HN 30 ILE HN 4.50 (# 309:15 Preassigned 4.17, 4.18 A) &rst ixpk= 309, nxpk= 15, iat= 508, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 29 LYS HN 30 ILE HN 3.50 (# 310:15 Preassigned 2.74, 2.76 A) &rst ixpk= 310, nxpk= 15, iat= 450, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 41 GLN HE2- 30 ILE HN 4.50 (# 311:15 Preassigned 3.53, 4.32 A) &rst ixpk= 311, nxpk= 15, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 652, 653, &end # # 27 LYS HA 30 ILE HN 4.50 (# 312:15 Preassigned 3.39, 3.46 A) &rst ixpk= 312, nxpk= 15, iat= 420, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:313 30 ILE HN 3.50 (# 313:15 Single Ambig) &rst ixpk= 313, nxpk= 15, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 452, 442, &end # # 30 ILE HA 30 ILE HN 3.50 (# 314:15 Preassigned 2.79, 2.80 A) &rst ixpk= 314, nxpk= 15, iat= 474, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 30 ILE HB 30 ILE HN 3.50 (# 315:15 Preassigned 2.72, 2.75 A) &rst ixpk= 315, nxpk= 15, iat= 476, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 29 LYS HB+ 30 ILE HN 3.50 (# 316:15 Preassigned 2.49, 3.17 A) &rst ixpk= 316, nxpk= 15, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 454, 455, &end # # 30 ILE HG1+ 30 ILE HN 3.50 (# 317:15 Preassigned 2.13, 2.86 A) &rst ixpk= 317, nxpk= 15, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 482, 483, &end # # 0 AMB 15-3:318 30 ILE HN 4.50 (# 318:15 Single Ambig) &rst ixpk= 318, nxpk= 15, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 457, 458, 460, 461, &end # # 0 AMB 15-3:319 30 ILE HN 3.50 (# 319:15 Single Ambig) &rst ixpk= 319, nxpk= 15, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 457, 458, 527, 528, 527, 528, 444, 445, 446, &end # # 0 AMB 15-3:320 30 ILE HN 4.50 (# 320:15 Single Ambig) &rst ixpk= 320, nxpk= 15, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1= 422, 423, 425, 426, 460, 461, 245, &end # # 30 ILE QD1 30 ILE HN 3.50 (# 321:15 Preassigned 2.00, 2.91 A) &rst ixpk= 321, nxpk= 15, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 485, 486, 487, &end # # 30 ILE HG1- 30 ILE HN 2.80 (# 322:15 Unique 2.13, 2.86 A) &rst ixpk= 322, nxpk= 15, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 482, 483, &end # # 0 AMB 15-3:323 25 ASN HN 4.50 (# 323:15 Single Ambig) &rst ixpk= 323, nxpk= 15, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 418, 354, &end # # 26 VAL HN 25 ASN HN 3.50 (# 324:15 Preassigned 2.65, 2.68 A) &rst ixpk= 324, nxpk= 15, iat= 402, 388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 22 THR HB 25 ASN HN 3.50 (# 325:15 Preassigned 3.71, 3.77 A) &rst ixpk= 325, nxpk= 15, iat= 344, 388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 25 ASN HA 25 ASN HN 3.50 (# 326:15 Preassigned 2.80, 2.81 A) &rst ixpk= 326, nxpk= 15, iat= 390, 388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 24 GLU HA 25 ASN HN 4.50 (# 327:15 Preassigned 3.56, 3.57 A) &rst ixpk= 327, nxpk= 15, iat= 375, 388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 25 ASN HB+ 25 ASN HN 3.50 (# 328:15 Preassigned 2.10, 2.90 A) &rst ixpk= 328, nxpk= 15, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 392, 393, &end # # 25 ASN HB- 25 ASN HN 3.50 (# 329:15 Preassigned 2.10, 2.90 A) &rst ixpk= 329, nxpk= 15, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 392, 393, &end # # 0 AMB 15-3:330 25 ASN HN 3.50 (# 330:15 Single Ambig) &rst ixpk= 330, nxpk= 15, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 380, 381, 380, 381, &end # # 0 AMB 15-3:331 25 ASN HN 3.50 (# 331:15 Single Ambig) &rst ixpk= 331, nxpk= 15, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 377, 378, 377, 378, &end # # 22 THR QG2 25 ASN HN 4.50 (# 332:15 Preassigned 5.58, 5.80 A) &rst ixpk= 332, nxpk= 15, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 346, 347, 348, &end # # 26 VAL QG+ 25 ASN HN 4.50 (# 333:15 Preassigned 4.26, 6.20 A) &rst ixpk= 333, nxpk= 15, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 408, 409, 410, 412, 413, 414, &end # # 0 AMB 15-3:334 12 THR HN 4.50 (# 334:15 Single Ambig) &rst ixpk= 334, nxpk= 15, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 115, 224, &end # # 11 LYS HN 12 THR HN 4.50 (# 335:15 Preassigned 4.49, 4.54 A) &rst ixpk= 335, nxpk= 15, iat= 169, 191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 12 THR HA 12 THR HN 3.50 (# 336:15 Preassigned 2.94, 2.95 A) &rst ixpk= 336, nxpk= 15, iat= 193, 191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 11 LYS HA 12 THR HN 2.80 (# 337:15 Preassigned 2.21, 2.31 A) &rst ixpk= 337, nxpk= 15, iat= 171, 191, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 12 THR HB 12 THR HN 3.50 (# 338:15 Preassigned 2.70, 2.87 A) &rst ixpk= 338, nxpk= 15, iat= 195, 191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 11 LYS HB+ 12 THR HN 4.50 (# 339:15 Preassigned 3.01, 3.68 A) &rst ixpk= 339, nxpk= 15, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 173, 174, &end # # 11 LYS HB- 12 THR HN 4.50 (# 340:15 Unique 3.01, 3.68 A) &rst ixpk= 340, nxpk= 15, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 173, 174, &end # # 11 LYS HG+ 12 THR HN 3.50 (# 341:15 Preassigned 2.29, 3.58 A) &rst ixpk= 341, nxpk= 15, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 176, 177, &end # # 11 LYS HG- 12 THR HN 3.50 (# 342:15 Preassigned 2.29, 3.58 A) &rst ixpk= 342, nxpk= 15, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 176, 177, &end # # 12 THR QG2 12 THR HN 4.50 (# 343:15 Preassigned 4.45, 4.74 A) &rst ixpk= 343, nxpk= 15, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 197, 198, 199, &end # # 45 PHE HN 48 LYS HN 3.50 (# 344:15 Preassigned 2.76, 2.87 A) &rst ixpk= 344, nxpk= 15, iat= 719, 756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 47 GLY HN 48 LYS HN 3.50 (# 345:15 Preassigned 2.57, 2.63 A) &rst ixpk= 345, nxpk= 15, iat= 749, 756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 44 ILE HA 48 LYS HN 4.50 (# 346:15 Preassigned 4.55, 4.63 A) &rst ixpk= 346, nxpk= 15, iat= 702, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 48 LYS HA 48 LYS HN 3.50 (# 347:15 Preassigned 2.92, 2.94 A) &rst ixpk= 347, nxpk= 15, iat= 758, 756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:348 48 LYS HN 2.80 (# 348:15 Single Ambig) &rst ixpk= 348, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 760, 761, 760, 761, &end # # 0 AMB 15-3:349 48 LYS HN 3.50 (# 349:15 Single Ambig) &rst ixpk= 349, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 763, 764, 763, 764, &end # # 30 ILE HN 29 LYS HN 3.50 (# 350:15 Preassigned 2.74, 2.76 A) &rst ixpk= 350, nxpk= 15, iat= 472, 450, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:351 29 LYS HN 3.50 (# 351:15 Single Ambig) &rst ixpk= 351, nxpk= 15, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 452, 442, &end # # 26 VAL HA 29 LYS HN 4.50 (# 352:15 Preassigned 3.55, 3.56 A) &rst ixpk= 352, nxpk= 15, iat= 404, 450, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:353 29 LYS HN 4.50 (# 353:15 Single Ambig) &rst ixpk= 353, nxpk= 15, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 476, 406, 380, 381, &end # # 29 LYS HB+ 29 LYS HN 3.50 (# 354:15 Preassigned 2.73, 3.16 A) &rst ixpk= 354, nxpk= 15, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 454, 455, &end # # 29 LYS HB- 29 LYS HN 3.50 (# 355:15 Preassigned 2.73, 3.16 A) &rst ixpk= 355, nxpk= 15, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 454, 455, &end # # 29 LYS HG- 29 LYS HN 2.80 (# 356:15 Preassigned 1.92, 2.35 A) &rst ixpk= 356, nxpk= 15, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 457, 458, &end # # 0 AMB 15-3:357 29 LYS HN 2.80 (# 357:15 Single Ambig) &rst ixpk= 357, nxpk= 15, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr1= 457, 458, 444, 445, 446, &end # # 0 AMB 15-3:358 29 LYS HN 3.50 (# 358:15 Single Ambig) &rst ixpk= 358, nxpk= 15, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 460, 461, 422, 423, &end # # 0 AMB 15-3:359 29 LYS HN 3.50 (# 359:15 Single Ambig) &rst ixpk= 359, nxpk= 15, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1= 482, 483, 247, 248, 249, 251, 252, 253, 247, 248, 249, 251, 252, 253, 408, 409, 410, 412, 413, 414, &end # # 0 AMB 15-3:360 29 LYS HN 4.50 (# 360:15 Single Ambig) &rst ixpk= 360, nxpk= 15, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 491, 418, &end # # 51 GLU HA 52 ASP HN 2.80 (# 361:15 Preassigned 2.19, 2.20 A) &rst ixpk= 361, nxpk= 15, iat= 816, 829, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 15-3:362 52 ASP HN 4.50 (# 362:15 Single Ambig) &rst ixpk= 362, nxpk= 15, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 843, 844, 797, &end # # 52 ASP HB- 52 ASP HN 2.80 (# 363:15 Preassigned 2.09, 2.90 A) &rst ixpk= 363, nxpk= 15, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 833, 834, &end # # 51 GLU HG- 52 ASP HN 3.50 (# 364:15 Preassigned 3.67, 4.08 A) &rst ixpk= 364, nxpk= 15, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 821, 822, &end # # 51 GLU HB+ 52 ASP HN 3.50 (# 365:15 Unique 2.96, 3.68 A) &rst ixpk= 365, nxpk= 15, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 818, 819, &end # # 0 AMB 15-3:366 52 ASP HN 5.50 (# 366:15 Single Ambig) &rst ixpk= 366, nxpk= 15, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 377, 378, 377, 378, 852, 853, &end # # 54 ARG HG+ 52 ASP HN 5.50 (# 367:15 Preassigned 5.96, 6.53 A) &rst ixpk= 367, nxpk= 15, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 855, 856, &end # # 0 AMB 15-3:368 52 ASP HN 5.50 (# 368:15 Single Ambig) &rst ixpk= 368, nxpk= 15, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 428, 429, 425, 426,1158,1159,1158,1159, &end # # 23 ILE QG2 52 ASP HN 4.50 (# 369:15 Preassigned 3.34, 4.48 A) &rst ixpk= 369, nxpk= 15, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 360, 361, 362, &end # # 54 ARG HN 52 ASP HN 5.50 (# 370:15 Preassigned 4.23, 4.25 A) &rst ixpk= 370, nxpk= 15, iat= 848, 829, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 64 GLU HN 63 LYS HN 4.50 (# 371:15 Preassigned 4.35, 4.39 A) &rst ixpk= 371, nxpk= 15, iat=1021, 999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 62 GLN HN 63 LYS HN 4.50 (# 372:15 Preassigned 3.72, 3.77 A) &rst ixpk= 372, nxpk= 15, iat= 982, 999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 62 GLN HA 63 LYS HN 2.80 (# 373:15 Preassigned 2.29, 2.31 A) &rst ixpk= 373, nxpk= 15, iat= 984, 999, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 63 LYS HA 63 LYS HN 3.50 (# 374:15 Preassigned 2.27, 2.27 A) &rst ixpk= 374, nxpk= 15, iat=1001, 999, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:375 63 LYS HN 4.50 (# 375:15 Single Ambig) &rst ixpk= 375, nxpk= 15, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 989, 990,1028,1029,1028,1029, &end # # 63 LYS HB- 63 LYS HN 7.00 (# 376:15 Preassigned 2.98, 3.81 A) &rst ixpk= 376, nxpk= 15, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1=1003,1004, &end # # 0 AMB 15-3:377 63 LYS HN 2.80 (# 377:15 Single Ambig) &rst ixpk= 377, nxpk= 15, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1003,1004, 986, 987, 986, 987, &end # # 63 LYS HD+ 63 LYS HN 3.50 (# 378:15 Preassigned 3.84, 4.16 A) &rst ixpk= 378, nxpk= 15, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1009,1010, &end # # 1 MET QE 63 LYS HN 3.50 (# 379:15 Unique 1.91, 2.74 A) &rst ixpk= 379, nxpk= 15, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 15, 16, 17, &end # # 0 AMB 15-3:380 63 LYS HN 3.50 (# 380:15 Single Ambig) &rst ixpk= 380, nxpk= 15, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1006,1007,1006,1007, &end # # 34 GLU HN 36 ILE HN 4.50 (# 381:15 Preassigned 3.63, 3.65 A) &rst ixpk= 381, nxpk= 15, iat= 542, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 35 GLY HN 36 ILE HN 3.50 (# 382:15 Preassigned 2.14, 2.22 A) &rst ixpk= 382, nxpk= 15, iat= 557, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:383 36 ILE HN 4.50 (# 383:15 Single Ambig) &rst ixpk= 383, nxpk= 15, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 544, 593, &end # # 36 ILE HA 36 ILE HN 3.50 (# 384:15 Preassigned 2.94, 2.94 A) &rst ixpk= 384, nxpk= 15, iat= 566, 564, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 35 GLY HA- 36 ILE HN 3.50 (# 385:15 Preassigned 3.15, 3.27 A) &rst ixpk= 385, nxpk= 15, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 559, 560, &end # # 31 GLN HA 36 ILE HN 2.80 (# 386:15 Preassigned 2.00, 2.03 A) &rst ixpk= 386, nxpk= 15, iat= 493, 564, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 15-3:387 36 ILE HN 3.50 (# 387:15 Single Ambig) &rst ixpk= 387, nxpk= 15, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 546, 547, 498, 499, &end # # 0 AMB 15-3:388 36 ILE HN 3.50 (# 388:15 Single Ambig) &rst ixpk= 388, nxpk= 15, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 498, 499, 495, 496, &end # # 34 GLU HB- 36 ILE HN 3.50 (# 389:15 Preassigned 2.67, 3.14 A) &rst ixpk= 389, nxpk= 15, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 546, 547, &end # # 0 AMB 15-3:390 36 ILE HN 2.80 (# 390:15 Single Ambig) &rst ixpk= 390, nxpk= 15, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1= 574, 575, 568, &end # # 36 ILE HG1+ 36 ILE HN 3.50 (# 391:15 Preassigned 2.49, 3.17 A) &rst ixpk= 391, nxpk= 15, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 574, 575, &end # # 36 ILE QG2 36 ILE HN 4.50 (# 392:15 Preassigned 4.39, 4.63 A) &rst ixpk= 392, nxpk= 15, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 570, 571, 572, &end # # 36 ILE QD1 36 ILE HN 3.50 (# 393:15 Preassigned 4.01, 4.62 A) &rst ixpk= 393, nxpk= 15, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 577, 578, 579, &end # # 34 GLU HN 32 ASP HN 4.50 (# 394:15 Preassigned 3.75, 3.77 A) &rst ixpk= 394, nxpk= 15, iat= 542, 508, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 31 GLN HN 32 ASP HN 3.50 (# 395:15 Preassigned 2.57, 2.59 A) &rst ixpk= 395, nxpk= 15, iat= 491, 508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 30 ILE HN 32 ASP HN 4.50 (# 396:15 Preassigned 4.17, 4.18 A) &rst ixpk= 396, nxpk= 15, iat= 472, 508, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 33 LYS HN 32 ASP HN 3.50 (# 397:15 Preassigned 2.35, 2.35 A) &rst ixpk= 397, nxpk= 15, iat= 520, 508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:398 32 ASP HN 7.00 (# 398:15 Single Ambig) &rst ixpk= 398, nxpk= 15, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 593, 420, &end # # 32 ASP HA 32 ASP HN 2.80 (# 399:15 Preassigned 2.89, 2.89 A) &rst ixpk= 399, nxpk= 15, iat= 510, 508, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 15-3:400 32 ASP HN 3.50 (# 400:15 Single Ambig) &rst ixpk= 400, nxpk= 15, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 452, 442, &end # # 31 GLN HA 32 ASP HN 3.50 (# 401:15 Preassigned 3.50, 3.50 A) &rst ixpk= 401, nxpk= 15, iat= 493, 508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 32 ASP HB+ 32 ASP HN 2.80 (# 402:15 Preassigned 2.14, 2.68 A) &rst ixpk= 402, nxpk= 15, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 512, 513, &end # # 31 GLN HB+ 32 ASP HN 3.50 (# 403:15 Preassigned 2.78, 3.39 A) &rst ixpk= 403, nxpk= 15, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 495, 496, &end # # 31 GLN HG- 32 ASP HN 4.50 (# 404:15 Preassigned 4.16, 4.67 A) &rst ixpk= 404, nxpk= 15, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 498, 499, &end # # 31 GLN HB- 32 ASP HN 3.50 (# 405:15 Preassigned 2.78, 3.39 A) &rst ixpk= 405, nxpk= 15, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 495, 496, &end # # 0 AMB 15-3:406 32 ASP HN 3.50 (# 406:15 Single Ambig) &rst ixpk= 406, nxpk= 15, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1= 527, 528, 527, 528, 444, 445, 446, &end # # 0 AMB 15-3:407 32 ASP HN 4.50 (# 407:15 Single Ambig) &rst ixpk= 407, nxpk= 15, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 478, 479, 480, 482, 483, 218, 219, 220, &end # # 7 THR HN 8 LEU HN 4.50 (# 408:15 Preassigned 4.58, 4.60 A) &rst ixpk= 408, nxpk= 15, iat= 115, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 9 THR HN 8 LEU HN 3.50 (# 409:15 Preassigned 2.70, 2.76 A) &rst ixpk= 409, nxpk= 15, iat= 148, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 7 THR HA 8 LEU HN 2.80 (# 410:15 Preassigned 2.29, 2.36 A) &rst ixpk= 410, nxpk= 15, iat= 117, 129, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 8 LEU HA 8 LEU HN 3.50 (# 411:15 Preassigned 2.78, 2.82 A) &rst ixpk= 411, nxpk= 15, iat= 131, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 8 LEU HG 8 LEU HN 3.50 (# 412:15 Preassigned 2.75, 2.90 A) &rst ixpk= 412, nxpk= 15, iat= 136, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:413 8 LEU HN 2.80 (# 413:15 Single Ambig) &rst ixpk= 413, nxpk= 15, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 133, 134, 133, 134, &end # # 69 LEU HB- 8 LEU HN 4.50 (# 414:15 Unique 3.00, 4.17 A) &rst ixpk= 414, nxpk= 15, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1101,1102, &end # # 7 THR QG2 8 LEU HN 3.50 (# 415:15 Unique 3.92, 4.51 A) &rst ixpk= 415, nxpk= 15, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 121, 122, 123, &end # # 70 VAL QG- 8 LEU HN 4.50 (# 416:15 Preassigned 4.12, 6.48 A) &rst ixpk= 416, nxpk= 15, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1122,1123,1124,1126,1127,1128, &end # # 69 LEU QD- 8 LEU HN 3.50 (# 417:15 Preassigned 2.25, 4.58 A) &rst ixpk= 417, nxpk= 15, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1106,1107,1108,1110,1111,1112, &end # # 61 ILE HG1- 61 ILE HN 3.50 (# 418:15 Preassigned 2.21, 3.22 A) &rst ixpk= 418, nxpk= 15, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 973, 974, &end # # 60 ASN HN 61 ILE HN 3.50 (# 419:15 Preassigned 2.49, 2.53 A) &rst ixpk= 419, nxpk= 15, iat= 949, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:420 61 ILE HN 4.50 (# 420:15 Single Ambig) &rst ixpk= 420, nxpk= 15, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 958, 959, 982, &end # # 60 ASN HA 61 ILE HN 3.50 (# 421:15 Preassigned 2.86, 3.04 A) &rst ixpk= 421, nxpk= 15, iat= 951, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 SER HA 61 ILE HN 3.50 (# 422:15 Preassigned 2.44, 2.85 A) &rst ixpk= 422, nxpk= 15, iat= 907, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 56 LEU HA 61 ILE HN 4.50 (# 423:15 Preassigned 4.28, 4.38 A) &rst ixpk= 423, nxpk= 15, iat= 888, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 59 TYR HB- 61 ILE HN 4.50 (# 424:15 Preassigned 2.96, 3.88 A) &rst ixpk= 424, nxpk= 15, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 932, 933, &end # # 61 ILE HA 61 ILE HN 3.50 (# 425:15 Preassigned 2.80, 2.90 A) &rst ixpk= 425, nxpk= 15, iat= 965, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 60 ASN HB- 61 ILE HN 4.50 (# 426:15 Preassigned 3.77, 4.15 A) &rst ixpk= 426, nxpk= 15, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 953, 954, &end # # 59 TYR HB+ 61 ILE HN 4.50 (# 427:15 Preassigned 2.96, 3.88 A) &rst ixpk= 427, nxpk= 15, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 932, 933, &end # # 61 ILE HB 61 ILE HN 2.80 (# 428:15 Preassigned 2.45, 2.48 A) &rst ixpk= 428, nxpk= 15, iat= 967, 963, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 61 ILE HG1+ 61 ILE HN 3.50 (# 429:15 Preassigned 2.21, 3.22 A) &rst ixpk= 429, nxpk= 15, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 973, 974, &end # # 0 AMB 15-3:430 61 ILE HN 4.50 (# 430:15 Single Ambig) &rst ixpk= 430, nxpk= 15, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1= 895, 896, 897, 899, 900, 901,1070,1071,1072,1074, 1075,1076, 367, 368, 369, 44, 45, 46, &end # # 0 AMB 15-3:431 61 ILE HN 3.50 (# 431:15 Single Ambig) &rst ixpk= 431, nxpk= 15, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 976, 977, 978, 969, 970, 971, &end # # 55 THR HN 54 ARG HN 4.50 (# 433:15 Preassigned 4.47, 4.51 A) &rst ixpk= 433, nxpk= 15, iat= 872, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 23 ILE HN 54 ARG HN 4.50 (# 434:15 Preassigned 3.65, 3.84 A) &rst ixpk= 434, nxpk= 15, iat= 354, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 59 TYR HE1 54 ARG HN 4.50 (# 435:15 Preassigned 3.94, 3.99 A) &rst ixpk= 435, nxpk= 15, iat= 938, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 54 ARG HA 54 ARG HN 3.50 (# 436:15 Preassigned 2.91, 2.91 A) &rst ixpk= 436, nxpk= 15, iat= 850, 848, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 52 ASP HA 54 ARG HN 4.50 (# 437:15 Preassigned 3.67, 3.91 A) &rst ixpk= 437, nxpk= 15, iat= 831, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 53 GLY HA- 54 ARG HN 3.50 (# 438:15 Preassigned 3.04, 3.25 A) &rst ixpk= 438, nxpk= 15, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 843, 844, &end # # 54 ARG HD- 54 ARG HN 4.50 (# 439:15 Preassigned 3.19, 4.91 A) &rst ixpk= 439, nxpk= 15, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 858, 859, &end # # 23 ILE HB 54 ARG HN 4.50 (# 440:15 Unique 3.41, 3.52 A) &rst ixpk= 440, nxpk= 15, iat= 358, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 54 ARG HB+ 54 ARG HN 2.80 (# 441:15 Unique 2.34, 2.99 A) &rst ixpk= 441, nxpk= 15, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 852, 853, &end # # 54 ARG HB- 54 ARG HN 3.50 (# 442:15 Preassigned 2.34, 2.99 A) &rst ixpk= 442, nxpk= 15, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 852, 853, &end # # 54 ARG HG+ 54 ARG HN 3.50 (# 443:15 Preassigned 2.96, 3.27 A) &rst ixpk= 443, nxpk= 15, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 855, 856, &end # # 54 ARG HG- 54 ARG HN 3.50 (# 444:15 Preassigned 2.96, 3.27 A) &rst ixpk= 444, nxpk= 15, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 855, 856, &end # # 23 ILE HG1- 54 ARG HN 4.50 (# 445:15 Preassigned 2.90, 3.66 A) &rst ixpk= 445, nxpk= 15, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 364, 365, &end # # 21 ASP HN 18 GLU HN 4.50 (# 446:15 Preassigned 4.01, 4.05 A) &rst ixpk= 446, nxpk= 15, iat= 328, 288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 18 GLU HA 18 GLU HN 3.50 (# 447:15 Preassigned 2.95, 2.95 A) &rst ixpk= 447, nxpk= 15, iat= 290, 288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 17 VAL HA 18 GLU HN 2.80 (# 448:15 Preassigned 2.73, 2.74 A) &rst ixpk= 448, nxpk= 15, iat= 274, 288, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 21 ASP HB- 18 GLU HN 4.50 (# 449:15 Unique 2.55, 3.37 A) &rst ixpk= 449, nxpk= 15, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 332, 333, &end # # 21 ASP HB+ 18 GLU HN 4.50 (# 450:15 Preassigned 2.55, 3.37 A) &rst ixpk= 450, nxpk= 15, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 332, 333, &end # # 17 VAL HB 18 GLU HN 2.80 (# 451:15 Preassigned 1.73, 1.75 A) &rst ixpk= 451, nxpk= 15, iat= 276, 288, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 18 GLU HB+ 18 GLU HN 3.50 (# 452:15 Preassigned 2.41, 3.40 A) &rst ixpk= 452, nxpk= 15, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 292, 293, &end # # 18 GLU HB- 18 GLU HN 3.50 (# 453:15 Preassigned 2.41, 3.40 A) &rst ixpk= 453, nxpk= 15, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 292, 293, &end # # 0 AMB 15-3:454 18 GLU HN 2.80 (# 454:15 Single Ambig) &rst ixpk= 454, nxpk= 15, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 278, 279, 280, 282, 283, 284, 895, 896, 897, 899, 900, 901, &end # # 17 VAL QG+ 18 GLU HN 3.50 (# 455:15 Preassigned 2.90, 3.91 A) &rst ixpk= 455, nxpk= 15, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 278, 279, 280, 282, 283, 284, &end # # 26 VAL HN 27 LYS HN 3.50 (# 456:15 Preassigned 2.70, 2.72 A) &rst ixpk= 456, nxpk= 15, iat= 402, 418, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:457 27 LYS HN 3.50 (# 457:15 Single Ambig) &rst ixpk= 457, nxpk= 15, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 440, 388, &end # # 27 LYS HA 27 LYS HN 3.50 (# 458:15 Preassigned 2.76, 2.77 A) &rst ixpk= 458, nxpk= 15, iat= 420, 418, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 24 GLU HA 27 LYS HN 4.50 (# 459:15 Preassigned 3.66, 3.70 A) &rst ixpk= 459, nxpk= 15, iat= 375, 418, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 23 ILE HA 27 LYS HN 4.50 (# 460:15 Preassigned 3.86, 3.90 A) &rst ixpk= 460, nxpk= 15, iat= 356, 418, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 26 VAL HA 27 LYS HN 4.50 (# 461:15 Preassigned 3.54, 3.55 A) &rst ixpk= 461, nxpk= 15, iat= 404, 418, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 27 LYS HE+ 27 LYS HN 4.50 (# 462:15 Preassigned 4.17, 4.93 A) &rst ixpk= 462, nxpk= 15, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 431, 432, &end # # 26 VAL HB 27 LYS HN 3.50 (# 463:15 Preassigned 2.43, 2.52 A) &rst ixpk= 463, nxpk= 15, iat= 406, 418, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 27 LYS HB- 27 LYS HN 3.50 (# 464:15 Preassigned 2.07, 3.07 A) &rst ixpk= 464, nxpk= 15, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 422, 423, &end # # 27 LYS HG+ 27 LYS HN 2.80 (# 465:15 Preassigned 2.28, 2.63 A) &rst ixpk= 465, nxpk= 15, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 425, 426, &end # # 0 AMB 15-3:466 27 LYS HN 3.50 (# 466:15 Single Ambig) &rst ixpk= 466, nxpk= 15, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 422, 423, 425, 426, &end # # 26 VAL QG+ 27 LYS HN 3.50 (# 467:15 Preassigned 3.35, 4.44 A) &rst ixpk= 467, nxpk= 15, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 408, 409, 410, 412, 413, 414, &end # # 26 VAL QG- 27 LYS HN 2.80 (# 468:15 Preassigned 3.35, 4.44 A) &rst ixpk= 468, nxpk= 15, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 408, 409, 410, 412, 413, 414, &end # # 0 AMB 15-3:469 4 PHE HN 3.50 (# 469:15 Single Ambig) &rst ixpk= 469, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1061, 77, &end # # 3 ILE HN 4 PHE HN 4.50 (# 470:15 Preassigned 4.38, 4.41 A) &rst ixpk= 470, nxpk= 15, iat= 38, 57, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:471 4 PHE HN 4.50 (# 471:15 Single Ambig) &rst ixpk= 471, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 67, 71, 69, &end # # 4 PHE HD1 4 PHE HN 3.50 (# 472:15 Preassigned 3.23, 3.30 A) &rst ixpk= 472, nxpk= 15, iat= 65, 57, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 4 PHE HA 4 PHE HN 4.50 (# 473:15 Preassigned 2.92, 2.93 A) &rst ixpk= 473, nxpk= 15, iat= 59, 57, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 66 THR HA 4 PHE HN 3.50 (# 474:15 Preassigned 2.89, 2.97 A) &rst ixpk= 474, nxpk= 15, iat=1049, 57, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 3 ILE HA 4 PHE HN 2.80 (# 475:15 Preassigned 2.23, 2.26 A) &rst ixpk= 475, nxpk= 15, iat= 40, 57, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 64 GLU HA 4 PHE HN 4.50 (# 476:15 Preassigned 4.05, 4.15 A) &rst ixpk= 476, nxpk= 15, iat=1023, 57, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 4 PHE HB- 4 PHE HN 3.50 (# 477:15 Preassigned 2.81, 3.26 A) &rst ixpk= 477, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 61, 62, &end # # 4 PHE HB+ 4 PHE HN 3.50 (# 478:15 Preassigned 2.81, 3.26 A) &rst ixpk= 478, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 61, 62, &end # # 3 ILE HB 4 PHE HN 2.80 (# 479:15 Preassigned 2.73, 2.86 A) &rst ixpk= 479, nxpk= 15, iat= 42, 57, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 3 ILE HG1+ 4 PHE HN 4.50 (# 480:15 Preassigned 4.58, 4.96 A) &rst ixpk= 480, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 48, 49, &end # # 66 THR QG2 4 PHE HN 4.50 (# 481:15 Preassigned 5.12, 5.91 A) &rst ixpk= 481, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1053,1054,1055, &end # # 0 AMB 15-3:482 4 PHE HN 3.50 (# 482:15 Single Ambig) &rst ixpk= 482, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 44, 45, 46, 51, 52, 53, &end # # 0 AMB 15-3:483 68 HIS HN 5.50 (# 483:15 Single Ambig) &rst ixpk= 483, nxpk= 15, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 719, 739, &end # # 0 AMB 15-3:484 68 HIS HN 3.50 (# 484:15 Single Ambig) &rst ixpk= 484, nxpk= 15, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1082, 721, &end # # 67 LEU HA 68 HIS HN 2.80 (# 485:15 Preassigned 2.40, 2.47 A) &rst ixpk= 485, nxpk= 15, iat=1063,1080, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 68 HIS HB+ 68 HIS HN 3.50 (# 486:15 Preassigned 2.41, 2.93 A) &rst ixpk= 486, nxpk= 15, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1084,1085, &end # # 68 HIS HB- 68 HIS HN 3.50 (# 487:15 Preassigned 2.41, 2.93 A) &rst ixpk= 487, nxpk= 15, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1084,1085, &end # # 0 AMB 15-3:488 68 HIS HN 2.80 (# 488:15 Single Ambig) &rst ixpk= 488, nxpk= 15, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1065,1066, 704, &end # # 67 LEU HB- 68 HIS HN 3.50 (# 489:15 Preassigned 2.67, 3.38 A) &rst ixpk= 489, nxpk= 15, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1065,1066, &end # # 0 AMB 15-3:490 68 HIS HN 2.80 (# 490:15 Single Ambig) &rst ixpk= 490, nxpk= 15, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1=1070,1071,1072,1074,1075,1076, 83, 84, 85, 87, 88, 89, 706, 707, 708, &end # # 57 SER HN 56 LEU HN 3.50 (# 491:15 Preassigned 2.94, 2.96 A) &rst ixpk= 491, nxpk= 15, iat= 905, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 THR HA 56 LEU HN 3.50 (# 492:15 Preassigned 2.36, 2.37 A) &rst ixpk= 492, nxpk= 15, iat= 874, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 22 THR HA 56 LEU HN 4.50 (# 493:15 Preassigned 3.68, 3.74 A) &rst ixpk= 493, nxpk= 15, iat= 342, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:494 56 LEU HN 5.50 (# 494:15 Single Ambig) &rst ixpk= 494, nxpk= 15, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 330, 850, &end # # 55 THR HB 56 LEU HN 3.50 (# 495:15 Preassigned 2.41, 2.48 A) &rst ixpk= 495, nxpk= 15, iat= 876, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 20 SER HA 56 LEU HN 4.50 (# 496:15 Preassigned 4.51, 4.55 A) &rst ixpk= 496, nxpk= 15, iat= 319, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 56 LEU HA 56 LEU HN 3.50 (# 497:15 Unique 2.74, 2.74 A) &rst ixpk= 497, nxpk= 15, iat= 888, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 56 LEU HB+ 56 LEU HN 3.50 (# 498:15 Preassigned 2.42, 3.07 A) &rst ixpk= 498, nxpk= 15, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 890, 891, &end # # 56 LEU HG 56 LEU HN 3.50 (# 499:15 Preassigned 2.25, 2.29 A) &rst ixpk= 499, nxpk= 15, iat= 893, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 THR QG2 56 LEU HN 3.50 (# 500:15 Preassigned 3.60, 4.30 A) &rst ixpk= 500, nxpk= 15, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 878, 879, 880, &end # # 56 LEU QD- 56 LEU HN 3.50 (# 501:15 Preassigned 2.83, 4.14 A) &rst ixpk= 501, nxpk= 15, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 895, 896, 897, 899, 900, 901, &end # # 0 AMB 15-3:502 56 LEU HN 3.50 (# 502:15 Single Ambig) &rst ixpk= 502, nxpk= 15, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 895, 896, 897, 899, 900, 901, 367, 368, 369, &end # # 0 AMB 15-3:503 56 LEU HN 4.50 (# 503:15 Single Ambig) &rst ixpk= 503, nxpk= 15, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 976, 977, 978, 969, 970, 971, &end # # 0 AMB 15-3:504 41 GLN HN 4.50 (# 504:15 Single Ambig) &rst ixpk= 504, nxpk= 15, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1151, 611, &end # # 42 ARG HN 41 GLN HN 4.50 (# 505:15 Preassigned 3.96, 3.98 A) &rst ixpk= 505, nxpk= 15, iat= 657, 640, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 40 GLN HN 41 GLN HN 2.80 (# 506:15 Preassigned 2.09, 2.13 A) &rst ixpk= 506, nxpk= 15, iat= 623, 640, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 15-3:507 41 GLN HN 3.50 (# 507:15 Single Ambig) &rst ixpk= 507, nxpk= 15, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 625, 613, &end # # 0 AMB 15-3:508 41 GLN HN 3.50 (# 508:15 Single Ambig) &rst ixpk= 508, nxpk= 15, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 642, 607, &end # # 41 GLN HG+ 41 GLN HN 4.50 (# 509:15 Preassigned 4.35, 4.60 A) &rst ixpk= 509, nxpk= 15, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 647, 648, &end # # 0 AMB 15-3:510 41 GLN HN 4.50 (# 510:15 Single Ambig) &rst ixpk= 510, nxpk= 15, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 590, 591, 422, 423, 495, 496, &end # # 0 AMB 15-3:511 41 GLN HN 3.50 (# 511:15 Single Ambig) &rst ixpk= 511, nxpk= 15, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1155,1156,1158,1159, &end # # 3 ILE HN 17 VAL HN 4.50 (# 513:15 Preassigned 3.97, 4.04 A) &rst ixpk= 513, nxpk= 15, iat= 38, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 16 GLU HN 17 VAL HN 4.50 (# 514:15 Preassigned 4.40, 4.45 A) &rst ixpk= 514, nxpk= 15, iat= 257, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 2 GLN HA 17 VAL HN 4.50 (# 515:15 Preassigned 2.07, 2.16 A) &rst ixpk= 515, nxpk= 15, iat= 23, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 16 GLU HA 17 VAL HN 2.80 (# 516:15 Preassigned 2.14, 2.14 A) &rst ixpk= 516, nxpk= 15, iat= 259, 272, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 17 VAL HA 17 VAL HN 3.50 (# 517:15 Preassigned 2.90, 2.91 A) &rst ixpk= 517, nxpk= 15, iat= 274, 272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 16 GLU HG- 17 VAL HN 3.50 (# 518:15 Unique 3.70, 4.31 A) &rst ixpk= 518, nxpk= 15, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 264, 265, &end # # 0 AMB 15-3:519 17 VAL HN 3.50 (# 519:15 Single Ambig) &rst ixpk= 519, nxpk= 15, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 264, 265, 8, 9, &end # # 0 AMB 15-3:521 17 VAL HN 4.50 (# 521:15 Single Ambig) &rst ixpk= 521, nxpk= 15, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 25, 26, 15, 16, 17, &end # # 0 AMB 15-3:522 17 VAL HN 4.50 (# 522:15 Single Ambig) &rst ixpk= 522, nxpk= 15, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 44, 45, 46, 51, 52, 53, &end # # 17 VAL QG- 17 VAL HN 3.50 (# 523:15 Preassigned 2.41, 3.76 A) &rst ixpk= 523, nxpk= 15, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 278, 279, 280, 282, 283, 284, &end # # 17 VAL QG+ 17 VAL HN 2.80 (# 524:15 Preassigned 2.41, 3.76 A) &rst ixpk= 524, nxpk= 15, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 278, 279, 280, 282, 283, 284, &end # # 67 LEU HN 66 THR HN 4.50 (# 525:15 Preassigned 3.90, 4.12 A) &rst ixpk= 525, nxpk= 15, iat=1061,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 65 SER HN 66 THR HN 4.50 (# 526:15 Preassigned 4.41, 4.46 A) &rst ixpk= 526, nxpk= 15, iat=1036,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 45 PHE HE1 66 THR HN 3.50 (# 527:15 Preassigned 2.04, 2.79 A) &rst ixpk= 527, nxpk= 15, iat= 729,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 66 THR HA 66 THR HN 3.50 (# 528:15 Preassigned 2.90, 2.92 A) &rst ixpk= 528, nxpk= 15, iat=1049,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 65 SER HA 66 THR HN 2.80 (# 530:15 Preassigned 2.15, 2.30 A) &rst ixpk= 530, nxpk= 15, iat=1038,1047, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 66 THR HB 66 THR HN 2.80 (# 531:15 Preassigned 2.45, 2.58 A) &rst ixpk= 531, nxpk= 15, iat=1051,1047, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 65 SER HB- 66 THR HN 3.50 (# 532:15 Preassigned 2.54, 3.65 A) &rst ixpk= 532, nxpk= 15, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1040,1041, &end # # 66 THR QG2 66 THR HN 4.50 (# 533:15 Preassigned 4.33, 4.61 A) &rst ixpk= 533, nxpk= 15, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1053,1054,1055, &end # # 0 AMB 15-3:534 66 THR HN 4.50 (# 534:15 Single Ambig) &rst ixpk= 534, nxpk= 15, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074, 1075,1076, &end # # 0 AMB 15-3:535 66 THR HN 4.50 (# 535:15 Single Ambig) &rst ixpk= 535, nxpk= 15, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 969, 970, 971, 976, 977, 978, &end # # 65 SER HB+ 66 THR HN 3.50 (# 536:15 Preassigned 2.54, 3.65 A) &rst ixpk= 536, nxpk= 15, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1040,1041, &end # # 39 ASP HN 40 GLN HN 3.50 (# 537:15 Preassigned 2.63, 2.64 A) &rst ixpk= 537, nxpk= 15, iat= 611, 623, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 41 GLN HN 40 GLN HN 2.80 (# 538:15 Preassigned 2.09, 2.13 A) &rst ixpk= 538, nxpk= 15, iat= 640, 623, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 15-3:539 40 GLN HN 3.50 (# 539:15 Single Ambig) &rst ixpk= 539, nxpk= 15, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 625, 613, &end # # 0 AMB 15-3:540 40 GLN HN 4.50 (# 540:15 Single Ambig) &rst ixpk= 540, nxpk= 15, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 607, 642, &end # # 39 ASP HB- 40 GLN HN 4.50 (# 541:15 Preassigned 3.09, 3.68 A) &rst ixpk= 541, nxpk= 15, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 615, 616, &end # # 0 AMB 15-3:542 40 GLN HN 2.80 (# 542:15 Single Ambig) &rst ixpk= 542, nxpk= 15, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 590, 591, 630, 631, 630, 631, &end # # 37 PRO HB- 40 GLN HN 3.50 (# 543:15 Preassigned 3.10, 3.95 A) &rst ixpk= 543, nxpk= 15, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 590, 591, &end # # 40 GLN HB- 40 GLN HN 3.50 (# 544:15 Preassigned 2.61, 2.97 A) &rst ixpk= 544, nxpk= 15, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 627, 628, &end # # 0 AMB 15-3:545 40 GLN HN 4.50 (# 545:15 Single Ambig) &rst ixpk= 545, nxpk= 15, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1155,1156, 601, 602,1158,1159,1158,1159,1201,1202, 1201,1202, &end # # 36 ILE QG2 40 GLN HN 4.50 (# 546:15 Preassigned 4.18, 5.00 A) &rst ixpk= 546, nxpk= 15, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 570, 571, 572, &end # # 58 ASP HN 60 ASN HN 4.50 (# 547:15 Preassigned 4.21, 4.25 A) &rst ixpk= 547, nxpk= 15, iat= 916, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 59 TYR HN 60 ASN HN 2.80 (# 548:15 Preassigned 2.27, 2.30 A) &rst ixpk= 548, nxpk= 15, iat= 928, 949, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 59 TYR HA 60 ASN HN 4.50 (# 549:15 Preassigned 3.05, 3.06 A) &rst ixpk= 549, nxpk= 15, iat= 930, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 57 SER HA 60 ASN HN 3.50 (# 550:15 Preassigned 3.47, 3.49 A) &rst ixpk= 550, nxpk= 15, iat= 907, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 60 ASN HA 60 ASN HN 2.80 (# 551:15 Preassigned 2.28, 2.28 A) &rst ixpk= 551, nxpk= 15, iat= 951, 949, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 59 TYR HB- 60 ASN HN 4.50 (# 552:15 Preassigned 3.91, 4.15 A) &rst ixpk= 552, nxpk= 15, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 932, 933, &end # # 60 ASN HB+ 60 ASN HN 3.50 (# 553:15 Preassigned 3.21, 3.65 A) &rst ixpk= 553, nxpk= 15, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 953, 954, &end # # 60 ASN HB- 60 ASN HN 3.50 (# 554:15 Preassigned 3.21, 3.65 A) &rst ixpk= 554, nxpk= 15, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 953, 954, &end # # 59 TYR HB+ 60 ASN HN 4.50 (# 555:15 Preassigned 3.91, 4.15 A) &rst ixpk= 555, nxpk= 15, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 932, 933, &end # # 0 AMB 15-3:556 60 ASN HN 4.50 (# 556:15 Single Ambig) &rst ixpk= 556, nxpk= 15, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 976, 977, 978, 969, 970, 971, &end # # 60 ASN HN 59 TYR HN 3.50 (# 557:15 Preassigned 2.27, 2.30 A) &rst ixpk= 557, nxpk= 15, iat= 949, 928, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 58 ASP HN 59 TYR HN 3.50 (# 558:15 Preassigned 2.58, 2.59 A) &rst ixpk= 558, nxpk= 15, iat= 916, 928, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:559 59 TYR HN 4.50 (# 559:15 Single Ambig) &rst ixpk= 559, nxpk= 15, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 958, 959, 994, 995, 938, &end # # 59 TYR HA 59 TYR HN 3.50 (# 560:15 Preassigned 2.95, 2.95 A) &rst ixpk= 560, nxpk= 15, iat= 930, 928, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:561 59 TYR HN 3.50 (# 561:15 Single Ambig) &rst ixpk= 561, nxpk= 15, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 918, 907, &end # # 56 LEU HA 59 TYR HN 4.50 (# 562:15 Preassigned 3.73, 3.79 A) &rst ixpk= 562, nxpk= 15, iat= 888, 928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 59 TYR HB- 59 TYR HN 3.50 (# 563:15 Preassigned 2.53, 3.15 A) &rst ixpk= 563, nxpk= 15, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 932, 933, &end # # 58 ASP HB+ 59 TYR HN 4.50 (# 564:15 Preassigned 3.35, 3.73 A) &rst ixpk= 564, nxpk= 15, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 920, 921, &end # # 59 TYR HB+ 59 TYR HN 3.50 (# 565:15 Preassigned 2.53, 3.15 A) &rst ixpk= 565, nxpk= 15, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 932, 933, &end # # 58 ASP HB- 59 TYR HN 4.50 (# 566:15 Preassigned 3.35, 3.73 A) &rst ixpk= 566, nxpk= 15, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 920, 921, &end # # 61 ILE HG1+ 59 TYR HN 4.50 (# 567:15 Preassigned 3.99, 4.88 A) &rst ixpk= 567, nxpk= 15, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 973, 974, &end # # 61 ILE QD1 59 TYR HN 4.50 (# 568:15 Preassigned 3.46, 4.55 A) &rst ixpk= 568, nxpk= 15, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 976, 977, 978, &end # # 34 GLU HN 33 LYS HN 2.80 (# 569:15 Preassigned 2.02, 2.03 A) &rst ixpk= 569, nxpk= 15, iat= 542, 520, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 15-3:570 33 LYS HN 3.50 (# 570:15 Single Ambig) &rst ixpk= 570, nxpk= 15, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 557, 491, &end # # 32 ASP HN 33 LYS HN 3.50 (# 571:15 Preassigned 2.35, 2.35 A) &rst ixpk= 571, nxpk= 15, iat= 508, 520, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 GLU HA 33 LYS HN 5.50 (# 572:15 Preassigned 4.77, 4.78 A) &rst ixpk= 572, nxpk= 15, iat= 544, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:573 33 LYS HN 2.80 (# 573:15 Single Ambig) &rst ixpk= 573, nxpk= 15, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 522, 510, &end # # 31 GLN HA 33 LYS HN 4.50 (# 574:15 Preassigned 3.95, 3.97 A) &rst ixpk= 574, nxpk= 15, iat= 493, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 30 ILE HA 33 LYS HN 4.50 (# 575:15 Preassigned 3.21, 3.24 A) &rst ixpk= 575, nxpk= 15, iat= 474, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 32 ASP HB- 33 LYS HN 3.50 (# 576:15 Preassigned 3.41, 3.56 A) &rst ixpk= 576, nxpk= 15, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 512, 513, &end # # 0 AMB 15-3:577 33 LYS HN 4.50 (# 577:15 Single Ambig) &rst ixpk= 577, nxpk= 15, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 546, 547, 498, 499, &end # # 33 LYS HB+ 33 LYS HN 3.50 (# 578:15 Preassigned 2.59, 3.17 A) &rst ixpk= 578, nxpk= 15, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 524, 525, &end # # 33 LYS HB- 33 LYS HN 2.80 (# 579:15 Preassigned 2.59, 3.17 A) &rst ixpk= 579, nxpk= 15, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 524, 525, &end # # 0 AMB 15-3:580 33 LYS HN 3.50 (# 580:15 Single Ambig) &rst ixpk= 580, nxpk= 15, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 527, 528, 527, 528, &end # # 30 ILE QD1 33 LYS HN 4.50 (# 581:15 Preassigned 5.05, 5.81 A) &rst ixpk= 581, nxpk= 15, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 485, 486, 487, &end # # 0 AMB 15-3:582 33 LYS HN 3.50 (# 582:15 Single Ambig) &rst ixpk= 582, nxpk= 15, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 478, 479, 480, 218, 219, 220, &end # # 63 LYS HN 64 GLU HN 4.50 (# 583:15 Preassigned 4.35, 4.39 A) &rst ixpk= 583, nxpk= 15, iat= 999,1021, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 65 SER HN 64 GLU HN 3.50 (# 584:15 Preassigned 3.07, 3.13 A) &rst ixpk= 584, nxpk= 15, iat=1036,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:585 64 GLU HN 4.50 (# 585:15 Single Ambig) &rst ixpk= 585, nxpk= 15, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 69, 71, 67, &end # # 3 ILE HA 64 GLU HN 4.50 (# 586:15 Preassigned 3.67, 3.76 A) &rst ixpk= 586, nxpk= 15, iat= 40,1021, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 63 LYS HA 64 GLU HN 2.80 (# 587:15 Preassigned 2.31, 2.34 A) &rst ixpk= 587, nxpk= 15, iat=1001,1021, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 64 GLU HA 64 GLU HN 3.50 (# 588:15 Preassigned 2.29, 2.31 A) &rst ixpk= 588, nxpk= 15, iat=1023,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:589 64 GLU HN 4.50 (# 589:15 Single Ambig) &rst ixpk= 589, nxpk= 15, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 11, 12,1025,1026, &end # # 64 GLU HB- 64 GLU HN 4.50 (# 590:15 Preassigned 3.39, 3.68 A) &rst ixpk= 590, nxpk= 15, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1025,1026, &end # # 0 AMB 15-3:591 64 GLU HN 3.50 (# 591:15 Single Ambig) &rst ixpk= 591, nxpk= 15, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1028,1029,1028,1029, &end # # 0 AMB 15-3:592 64 GLU HN 4.50 (# 592:15 Single Ambig) &rst ixpk= 592, nxpk= 15, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1003,1004, 8, 9, &end # # 0 AMB 15-3:593 64 GLU HN 3.50 (# 593:15 Single Ambig) &rst ixpk= 593, nxpk= 15, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1003,1004, 28, 29, &end # # 0 AMB 15-3:594 64 GLU HN 5.50 (# 594:15 Single Ambig) &rst ixpk= 594, nxpk= 15, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1009,1010, 42, &end # # 0 AMB 15-3:595 64 GLU HN 4.50 (# 595:15 Single Ambig) &rst ixpk= 595, nxpk= 15, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1006,1007,1006,1007, &end # # 3 ILE QG2 64 GLU HN 3.50 (# 596:15 Preassigned 3.68, 4.75 A) &rst ixpk= 596, nxpk= 15, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 44, 45, 46, &end # # 74 ARG HA 76 GLY HN 4.50 (# 598:15 Preassigned 3.10, 3.80 A) &rst ixpk= 598, nxpk= 15, iat=1196,1225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 75 GLY HA- 76 GLY HN 3.50 (# 599:15 Preassigned 2.67, 3.21 A) &rst ixpk= 599, nxpk= 15, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1220,1221, &end # # 0 AMB 15-3:600 76 GLY HN 2.80 (# 600:15 Single Ambig) &rst ixpk= 600, nxpk= 15, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1=1227,1228,1227,1228,1220,1221, &end # # 0 AMB 15-3:601 76 GLY HN 4.50 (# 601:15 Single Ambig) &rst ixpk= 601, nxpk= 15, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1201,1202,1201,1202, &end # # 64 GLU HN 65 SER HN 3.50 (# 602:15 Preassigned 3.07, 3.13 A) &rst ixpk= 602, nxpk= 15, iat=1021,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 66 THR HN 65 SER HN 4.50 (# 603:15 Preassigned 4.41, 4.46 A) &rst ixpk= 603, nxpk= 15, iat=1047,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 65 SER HG 65 SER HN 4.50 (# 604:15 Unique 3.91, 4.14 A) &rst ixpk= 604, nxpk= 15, iat=1043,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 65 SER HA 65 SER HN 3.50 (# 605:15 Preassigned 2.94, 2.94 A) &rst ixpk= 605, nxpk= 15, iat=1038,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 3 ILE HA 65 SER HN 4.50 (# 606:15 Preassigned 2.07, 2.11 A) &rst ixpk= 606, nxpk= 15, iat= 40,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 65 SER HB+ 65 SER HN 3.50 (# 607:15 Preassigned 2.32, 2.83 A) &rst ixpk= 607, nxpk= 15, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1040,1041, &end # # 65 SER HB- 65 SER HN 3.50 (# 608:15 Preassigned 2.32, 2.83 A) &rst ixpk= 608, nxpk= 15, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1040,1041, &end # # 64 GLU HA 65 SER HN 3.50 (# 609:15 Preassigned 2.57, 2.59 A) &rst ixpk= 609, nxpk= 15, iat=1023,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:610 65 SER HN 4.50 (# 610:15 Single Ambig) &rst ixpk= 610, nxpk= 15, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 28, 29,1028,1029,1028,1029, &end # # 0 AMB 15-3:611 65 SER HN 4.50 (# 611:15 Single Ambig) &rst ixpk= 611, nxpk= 15, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 28, 29,1003,1004, 25, 26, &end # # 3 ILE QG2 65 SER HN 3.50 (# 612:15 Preassigned 1.86, 2.89 A) &rst ixpk= 612, nxpk= 15, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 44, 45, 46, &end # # 61 ILE QG2 65 SER HN 4.50 (# 613:15 Preassigned 4.05, 4.53 A) &rst ixpk= 613, nxpk= 15, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 969, 970, 971, &end # # 0 AMB 15-3:614 3 ILE HN 4.50 (# 614:15 Single Ambig) &rst ixpk= 614, nxpk= 15, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 272, 21, &end # # 15 LEU HN 3 ILE HN 3.50 (# 615:15 Preassigned 2.53, 2.60 A) &rst ixpk= 615, nxpk= 15, iat= 238, 38, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 2 GLN HA 3 ILE HN 2.80 (# 616:15 Preassigned 2.35, 2.39 A) &rst ixpk= 616, nxpk= 15, iat= 23, 38, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 16 GLU HA 3 ILE HN 3.50 (# 617:15 Preassigned 3.58, 3.59 A) &rst ixpk= 617, nxpk= 15, iat= 259, 38, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 3 ILE HA 3 ILE HN 3.50 (# 618:15 Preassigned 2.93, 2.94 A) &rst ixpk= 618, nxpk= 15, iat= 40, 38, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 2 GLN HG+ 3 ILE HN 4.50 (# 619:15 Preassigned 2.90, 3.56 A) &rst ixpk= 619, nxpk= 15, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 28, 29, &end # # 0 AMB 15-3:620 3 ILE HN 3.50 (# 620:15 Single Ambig) &rst ixpk= 620, nxpk= 15, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 25, 26, 28, 29, &end # # 2 GLN HB+ 3 ILE HN 3.50 (# 621:15 Preassigned 2.55, 3.31 A) &rst ixpk= 621, nxpk= 15, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 25, 26, &end # # 15 LEU HB- 3 ILE HN 4.50 (# 622:15 Preassigned 4.88, 5.09 A) &rst ixpk= 622, nxpk= 15, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 242, 243, &end # # 14 THR QG2 3 ILE HN 4.50 (# 623:15 Preassigned 3.16, 3.73 A) &rst ixpk= 623, nxpk= 15, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 230, 231, 232, &end # # 3 ILE HG1+ 3 ILE HN 3.50 (# 624:15 Preassigned 1.88, 2.46 A) &rst ixpk= 624, nxpk= 15, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 48, 49, &end # # 3 ILE HG1- 3 ILE HN 3.50 (# 625:15 Preassigned 1.88, 2.46 A) &rst ixpk= 625, nxpk= 15, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 48, 49, &end # # 3 ILE QG2 3 ILE HN 3.50 (# 626:15 Preassigned 3.83, 4.36 A) &rst ixpk= 626, nxpk= 15, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 44, 45, 46, &end # # 17 VAL QG+ 3 ILE HN 4.50 (# 627:15 Preassigned 3.57, 5.31 A) &rst ixpk= 627, nxpk= 15, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 278, 279, 280, 282, 283, 284, &end # # 0 AMB 15-3:628 7 THR HN 4.50 (# 628:15 Single Ambig) &rst ixpk= 628, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 93, 129, &end # # 11 LYS HN 7 THR HN 4.50 (# 629:15 Preassigned 2.97, 3.07 A) &rst ixpk= 629, nxpk= 15, iat= 169, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 7 THR HA 7 THR HN 3.50 (# 630:15 Preassigned 2.86, 2.88 A) &rst ixpk= 630, nxpk= 15, iat= 117, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 6 LYS HA 7 THR HN 2.80 (# 631:15 Preassigned 2.14, 2.15 A) &rst ixpk= 631, nxpk= 15, iat= 95, 115, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 12 THR HA 7 THR HN 4.50 (# 632:15 Preassigned 3.32, 3.43 A) &rst ixpk= 632, nxpk= 15, iat= 193, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 7 THR HB 7 THR HN 4.50 (# 633:15 Preassigned 3.62, 3.63 A) &rst ixpk= 633, nxpk= 15, iat= 119, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 6 LYS HG+ 7 THR HN 4.50 (# 634:15 Preassigned 2.81, 3.33 A) &rst ixpk= 634, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 100, 101, &end # # 0 AMB 15-3:635 7 THR HN 3.50 (# 635:15 Single Ambig) &rst ixpk= 635, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 179, 180, 179, 180, &end # # 0 AMB 15-3:636 7 THR HN 3.50 (# 636:15 Single Ambig) &rst ixpk= 636, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 100, 101, 97, 98, &end # # 7 THR QG2 7 THR HN 3.50 (# 637:15 Preassigned 2.36, 3.32 A) &rst ixpk= 637, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 121, 122, 123, &end # # 0 AMB 15-3:638 7 THR HN 4.50 (# 638:15 Single Ambig) &rst ixpk= 638, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1=1101,1102, 197, 198, 199, &end # # 0 AMB 15-3:639 7 THR HN 5.50 (# 639:15 Single Ambig) &rst ixpk= 639, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1106,1107,1108,1110,1111,1112, 83, 84, 85, 87, 88, 89, 83, 84, 85, 87, 88, 89, &end # # 35 GLY HN 34 GLU HN 3.50 (# 640:15 Preassigned 1.89, 1.92 A) &rst ixpk= 640, nxpk= 15, iat= 557, 542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 32 ASP HN 34 GLU HN 4.50 (# 641:15 Preassigned 3.75, 3.77 A) &rst ixpk= 641, nxpk= 15, iat= 508, 542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 33 LYS HN 34 GLU HN 3.50 (# 642:15 Preassigned 2.02, 2.03 A) &rst ixpk= 642, nxpk= 15, iat= 520, 542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 36 ILE HN 34 GLU HN 4.50 (# 643:15 Preassigned 3.63, 3.65 A) &rst ixpk= 643, nxpk= 15, iat= 564, 542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 34 GLU HA 34 GLU HN 3.50 (# 644:15 Preassigned 2.95, 2.95 A) &rst ixpk= 644, nxpk= 15, iat= 544, 542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:645 34 GLU HN 3.50 (# 645:15 Single Ambig) &rst ixpk= 645, nxpk= 15, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 522, 510, &end # # 35 GLY HA- 34 GLU HN 4.50 (# 646:15 Preassigned 4.13, 4.36 A) &rst ixpk= 646, nxpk= 15, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 559, 560, &end # # 35 GLY HA+ 34 GLU HN 4.50 (# 647:15 Preassigned 4.13, 4.36 A) &rst ixpk= 647, nxpk= 15, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 559, 560, &end # # 30 ILE HA 34 GLU HN 4.50 (# 648:15 Preassigned 3.75, 3.77 A) &rst ixpk= 648, nxpk= 15, iat= 474, 542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 34 GLU HB+ 34 GLU HN 3.50 (# 649:15 Preassigned 2.56, 3.17 A) &rst ixpk= 649, nxpk= 15, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 546, 547, &end # # 33 LYS HB+ 34 GLU HN 3.50 (# 650:15 Unique 3.04, 3.63 A) &rst ixpk= 650, nxpk= 15, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 524, 525, &end # # 33 LYS HB- 34 GLU HN 3.50 (# 651:15 Preassigned 3.04, 3.63 A) &rst ixpk= 651, nxpk= 15, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 524, 525, &end # # 34 GLU HB- 34 GLU HN 3.50 (# 652:15 Preassigned 2.56, 3.17 A) &rst ixpk= 652, nxpk= 15, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 546, 547, &end # # 0 AMB 15-3:653 34 GLU HN 5.50 (# 653:15 Single Ambig) &rst ixpk= 653, nxpk= 15, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 574, 575, 568, &end # # 0 AMB 15-3:654 34 GLU HN 3.50 (# 654:15 Single Ambig) &rst ixpk= 654, nxpk= 15, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 478, 479, 480, 218, 219, 220, &end # # 40 GLN HN 39 ASP HN 3.50 (# 655:15 Preassigned 2.63, 2.64 A) &rst ixpk= 655, nxpk= 15, iat= 623, 611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 41 GLN HN 39 ASP HN 4.50 (# 656:15 Preassigned 3.95, 3.98 A) &rst ixpk= 656, nxpk= 15, iat= 640, 611, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 37 PRO HA 39 ASP HN 4.50 (# 658:15 Preassigned 4.18, 4.23 A) &rst ixpk= 658, nxpk= 15, iat= 593, 611, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 39 ASP HA 39 ASP HN 3.50 (# 659:15 Preassigned 2.80, 2.81 A) &rst ixpk= 659, nxpk= 15, iat= 613, 611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 38 PRO HA 39 ASP HN 4.50 (# 660:15 Preassigned 3.53, 3.54 A) &rst ixpk= 660, nxpk= 15, iat= 607, 611, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:661 39 ASP HN 3.50 (# 661:15 Single Ambig) &rst ixpk= 661, nxpk= 15, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 598, 599, 598, 599, &end # # 39 ASP HB+ 39 ASP HN 3.50 (# 662:15 Preassigned 2.10, 2.99 A) &rst ixpk= 662, nxpk= 15, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 615, 616, &end # # 39 ASP HB- 39 ASP HN 3.50 (# 663:15 Preassigned 2.10, 2.99 A) &rst ixpk= 663, nxpk= 15, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 615, 616, &end # # 37 PRO HB+ 39 ASP HN 3.50 (# 664:15 Unique 2.68, 3.49 A) &rst ixpk= 664, nxpk= 15, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 590, 591, &end # # 38 PRO HB+ 39 ASP HN 3.50 (# 665:15 Preassigned 3.20, 3.66 A) &rst ixpk= 665, nxpk= 15, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 604, 605, &end # # 38 PRO HB- 39 ASP HN 3.50 (# 666:15 Preassigned 3.20, 3.66 A) &rst ixpk= 666, nxpk= 15, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 604, 605, &end # # 38 PRO HG- 39 ASP HN 3.50 (# 667:15 Unique 2.22, 3.02 A) &rst ixpk= 667, nxpk= 15, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 601, 602, &end # # 56 LEU HN 57 SER HN 3.50 (# 668:15 Preassigned 2.94, 2.96 A) &rst ixpk= 668, nxpk= 15, iat= 886, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 58 ASP HN 57 SER HN 3.50 (# 669:15 Preassigned 2.65, 2.66 A) &rst ixpk= 669, nxpk= 15, iat= 916, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 59 TYR HN 57 SER HN 4.50 (# 670:15 Preassigned 4.09, 4.11 A) &rst ixpk= 670, nxpk= 15, iat= 928, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 55 THR HA 57 SER HN 4.50 (# 671:15 Preassigned 4.57, 4.63 A) &rst ixpk= 671, nxpk= 15, iat= 874, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 55 THR HB 57 SER HN 3.50 (# 673:15 Preassigned 2.94, 2.96 A) &rst ixpk= 673, nxpk= 15, iat= 876, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 57 SER HA 57 SER HN 3.50 (# 674:15 Preassigned 2.79, 2.80 A) &rst ixpk= 674, nxpk= 15, iat= 907, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:675 57 SER HN 3.50 (# 675:15 Single Ambig) &rst ixpk= 675, nxpk= 15, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 313, 888, &end # # 57 SER HB- 57 SER HN 3.50 (# 676:15 Preassigned 2.17, 2.91 A) &rst ixpk= 676, nxpk= 15, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 909, 910, &end # # 19 PRO HB+ 57 SER HN 4.50 (# 677:15 Preassigned 3.71, 4.18 A) &rst ixpk= 677, nxpk= 15, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 310, 311, &end # # 56 LEU HB+ 57 SER HN 3.50 (# 678:15 Preassigned 2.29, 2.85 A) &rst ixpk= 678, nxpk= 15, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 890, 891, &end # # 56 LEU HG 57 SER HN 4.50 (# 679:15 Preassigned 4.19, 4.24 A) &rst ixpk= 679, nxpk= 15, iat= 893, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 56 LEU HB- 57 SER HN 3.50 (# 680:15 Preassigned 2.29, 2.85 A) &rst ixpk= 680, nxpk= 15, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 890, 891, &end # # 56 LEU QD- 57 SER HN 4.50 (# 681:15 Preassigned 4.73, 5.48 A) &rst ixpk= 681, nxpk= 15, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 895, 896, 897, 899, 900, 901, &end # # 0 AMB 15-3:682 57 SER HN 4.50 (# 682:15 Single Ambig) &rst ixpk= 682, nxpk= 15, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 895, 896, 897, 899, 900, 901, 367, 368, 369, &end # # 0 AMB 15-3:683 57 SER HN 4.50 (# 683:15 Single Ambig) &rst ixpk= 683, nxpk= 15, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 976, 977, 978, 969, 970, 971, &end # # 5 VAL HN 13 ILE HN 3.50 (# 717:15 Preassigned 3.50, 3.52 A) &rst ixpk= 717, nxpk= 15, iat= 77, 205, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:718 13 ILE HN 4.50 (# 718:15 Single Ambig) &rst ixpk= 718, nxpk= 15, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 115, 224, &end # # 12 THR HN 13 ILE HN 4.50 (# 719:15 Preassigned 4.00, 4.07 A) &rst ixpk= 719, nxpk= 15, iat= 191, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 4 PHE HA 13 ILE HN 4.50 (# 720:15 Preassigned 4.50, 4.58 A) &rst ixpk= 720, nxpk= 15, iat= 59, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 6 LYS HA 13 ILE HN 4.50 (# 721:15 Preassigned 2.92, 3.01 A) &rst ixpk= 721, nxpk= 15, iat= 95, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 12 THR HA 13 ILE HN 2.80 (# 722:15 Preassigned 2.15, 2.16 A) &rst ixpk= 722, nxpk= 15, iat= 193, 205, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 5 VAL HA 13 ILE HN 5.50 (# 723:15 Preassigned 4.71, 4.74 A) &rst ixpk= 723, nxpk= 15, iat= 79, 205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 13 ILE HA 13 ILE HN 3.50 (# 724:15 Preassigned 2.94, 2.94 A) &rst ixpk= 724, nxpk= 15, iat= 207, 205, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 5 VAL HB 13 ILE HN 4.50 (# 725:15 Preassigned 3.55, 3.60 A) &rst ixpk= 725, nxpk= 15, iat= 81, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 13 ILE HB 13 ILE HN 3.50 (# 726:15 Preassigned 3.18, 3.21 A) &rst ixpk= 726, nxpk= 15, iat= 209, 205, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 13 ILE HG1+ 13 ILE HN 4.50 (# 727:15 Preassigned 4.27, 4.56 A) &rst ixpk= 727, nxpk= 15, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 215, 216, &end # # 0 AMB 15-3:728 13 ILE HN 3.50 (# 728:15 Single Ambig) &rst ixpk= 728, nxpk= 15, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr1= 197, 198, 199, 215, 216, &end # # 13 ILE QG2 13 ILE HN 4.50 (# 729:15 Preassigned 1.92, 2.60 A) &rst ixpk= 729, nxpk= 15, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 211, 212, 213, &end # # 0 AMB 15-3:730 13 ILE HN 3.50 (# 730:15 Single Ambig) &rst ixpk= 730, nxpk= 15, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr1= 218, 219, 220, 83, 84, 85, 87, 88, 89, 83, 84, 85, 87, 88, 89, &end # # 46 ALA HN 47 GLY HN 3.50 (# 731:15 Preassigned 2.85, 2.90 A) &rst ixpk= 731, nxpk= 15, iat= 739, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 48 LYS HN 47 GLY HN 3.50 (# 732:15 Preassigned 2.57, 2.63 A) &rst ixpk= 732, nxpk= 15, iat= 756, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 45 PHE HA 47 GLY HN 4.50 (# 733:15 Preassigned 3.98, 4.08 A) &rst ixpk= 733, nxpk= 15, iat= 721, 749, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 47 GLY HA- 47 GLY HN 2.80 (# 734:15 Preassigned 2.30, 2.59 A) &rst ixpk= 734, nxpk= 15, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 751, 752, &end # # 46 ALA HA 47 GLY HN 3.50 (# 735:15 Preassigned 2.67, 2.71 A) &rst ixpk= 735, nxpk= 15, iat= 741, 749, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 47 GLY HA+ 47 GLY HN 2.80 (# 736:15 Preassigned 2.30, 2.59 A) &rst ixpk= 736, nxpk= 15, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 751, 752, &end # # 0 AMB 15-3:738 47 GLY HN 4.50 (# 738:15 Single Ambig) &rst ixpk= 738, nxpk= 15, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 760, 761, 760, 761, &end # # 46 ALA QB 47 GLY HN 3.50 (# 739:15 Preassigned 4.31, 4.47 A) &rst ixpk= 739, nxpk= 15, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 743, 744, 745, &end # # 44 ILE QG2 47 GLY HN 3.50 (# 740:15 Preassigned 2.69, 3.18 A) &rst ixpk= 740, nxpk= 15, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 706, 707, 708, &end # # 21 ASP HN 20 SER HN 3.50 (# 741:15 Preassigned 2.17, 2.24 A) &rst ixpk= 741, nxpk= 15, iat= 328, 317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 18 GLU HA 20 SER HN 4.50 (# 742:15 Preassigned 3.79, 3.84 A) &rst ixpk= 742, nxpk= 15, iat= 290, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 20 SER HA 20 SER HN 3.50 (# 744:15 Preassigned 2.93, 2.94 A) &rst ixpk= 744, nxpk= 15, iat= 319, 317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:745 20 SER HN 3.50 (# 745:15 Single Ambig) &rst ixpk= 745, nxpk= 15, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 321, 322, 313, &end # # 19 PRO HD+ 20 SER HN 3.50 (# 746:15 Preassigned 2.78, 3.39 A) &rst ixpk= 746, nxpk= 15, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 304, 305, &end # # 0 AMB 15-3:747 20 SER HN 3.50 (# 747:15 Single Ambig) &rst ixpk= 747, nxpk= 15, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 304, 305, 321, 322, &end # # 19 PRO HB+ 20 SER HN 4.50 (# 748:15 Preassigned 3.72, 4.10 A) &rst ixpk= 748, nxpk= 15, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 310, 311, &end # # 18 GLU HB+ 20 SER HN 3.50 (# 749:15 Preassigned 2.16, 3.02 A) &rst ixpk= 749, nxpk= 15, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 292, 293, &end # # 19 PRO HB- 20 SER HN 3.50 (# 750:15 Preassigned 3.72, 4.10 A) &rst ixpk= 750, nxpk= 15, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 310, 311, &end # # 18 GLU HB- 20 SER HN 3.50 (# 751:15 Preassigned 2.16, 3.02 A) &rst ixpk= 751, nxpk= 15, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 292, 293, &end # # 8 LEU HN 9 THR HN 3.50 (# 752:15 Preassigned 2.70, 2.76 A) &rst ixpk= 752, nxpk= 15, iat= 129, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 10 GLY HN 9 THR HN 2.80 (# 753:15 Preassigned 1.96, 2.23 A) &rst ixpk= 753, nxpk= 15, iat= 162, 148, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 11 LYS HN 9 THR HN 3.50 (# 754:15 Preassigned 3.14, 3.38 A) &rst ixpk= 754, nxpk= 15, iat= 169, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 7 THR HA 9 THR HN 4.50 (# 755:15 Preassigned 3.82, 3.87 A) &rst ixpk= 755, nxpk= 15, iat= 117, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 9 THR HA 9 THR HN 3.50 (# 756:15 Preassigned 2.86, 2.91 A) &rst ixpk= 756, nxpk= 15, iat= 150, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 8 LEU HA 9 THR HN 4.50 (# 757:15 Preassigned 3.07, 3.25 A) &rst ixpk= 757, nxpk= 15, iat= 131, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 10 GLY HA+ 9 THR HN 4.50 (# 758:15 Preassigned 4.36, 4.79 A) &rst ixpk= 758, nxpk= 15, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 164, 165, &end # # 0 AMB 15-3:759 9 THR HN 3.50 (# 759:15 Single Ambig) &rst ixpk= 759, nxpk= 15, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 133, 134, 133, 134, &end # # 9 THR QG2 9 THR HN 3.50 (# 760:15 Preassigned 3.99, 4.48 A) &rst ixpk= 760, nxpk= 15, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 154, 155, 156, &end # # 69 LEU QD- 9 THR HN 5.50 (# 761:15 Unique 4.18, 6.61 A) &rst ixpk= 761, nxpk= 15, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1106,1107,1108,1110,1111,1112, &end # # 47 GLY HN 46 ALA HN 3.50 (# 781:15 Preassigned 2.85, 2.90 A) &rst ixpk= 781, nxpk= 15, iat= 749, 739, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 45 PHE HD1 46 ALA HN 3.50 (# 782:15 Unique 3.17, 3.27 A) &rst ixpk= 782, nxpk= 15, iat= 727, 739, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 45 PHE HA 46 ALA HN 2.80 (# 783:15 Preassigned 2.14, 2.14 A) &rst ixpk= 783, nxpk= 15, iat= 721, 739, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 46 ALA HA 46 ALA HN 2.80 (# 784:15 Preassigned 2.28, 2.28 A) &rst ixpk= 784, nxpk= 15, iat= 741, 739, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 45 PHE HB+ 46 ALA HN 4.50 (# 785:15 Preassigned 4.24, 4.33 A) &rst ixpk= 785, nxpk= 15, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 723, 724, &end # # 45 PHE HB- 46 ALA HN 5.50 (# 786:15 Preassigned 4.24, 4.33 A) &rst ixpk= 786, nxpk= 15, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 723, 724, &end # # 46 ALA QB 46 ALA HN 3.50 (# 787:15 Preassigned 3.12, 3.52 A) &rst ixpk= 787, nxpk= 15, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 743, 744, 745, &end # # 44 ILE QG2 46 ALA HN 4.50 (# 788:15 Preassigned 3.63, 4.55 A) &rst ixpk= 788, nxpk= 15, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 706, 707, 708, &end # # 58 ASP HN 55 THR HN 4.50 (# 789:15 Preassigned 3.46, 3.47 A) &rst ixpk= 789, nxpk= 15, iat= 916, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 54 ARG HN 55 THR HN 4.50 (# 790:15 Preassigned 4.47, 4.51 A) &rst ixpk= 790, nxpk= 15, iat= 848, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 55 THR HA 55 THR HN 4.50 (# 791:15 Preassigned 2.95, 2.95 A) &rst ixpk= 791, nxpk= 15, iat= 874, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 22 THR HA 55 THR HN 4.50 (# 792:15 Preassigned 4.21, 4.23 A) &rst ixpk= 792, nxpk= 15, iat= 342, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 54 ARG HA 55 THR HN 3.50 (# 793:15 Preassigned 2.54, 2.56 A) &rst ixpk= 793, nxpk= 15, iat= 850, 872, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 55 THR HB 55 THR HN 4.50 (# 794:15 Preassigned 3.72, 3.74 A) &rst ixpk= 794, nxpk= 15, iat= 876, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 58 ASP HB+ 55 THR HN 3.50 (# 795:15 Preassigned 1.96, 2.18 A) &rst ixpk= 795, nxpk= 15, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 920, 921, &end # # 0 AMB 15-3:796 55 THR HN 3.50 (# 796:15 Single Ambig) &rst ixpk= 796, nxpk= 15, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 920, 921, 852, 853, &end # # 54 ARG HB- 55 THR HN 3.50 (# 797:15 Preassigned 2.05, 2.76 A) &rst ixpk= 797, nxpk= 15, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 852, 853, &end # # 54 ARG HG+ 55 THR HN 4.50 (# 798:15 Preassigned 4.13, 4.48 A) &rst ixpk= 798, nxpk= 15, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 855, 856, &end # # 54 ARG HG- 55 THR HN 4.50 (# 799:15 Preassigned 4.13, 4.48 A) &rst ixpk= 799, nxpk= 15, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 855, 856, &end # # 55 THR QG2 55 THR HN 3.50 (# 800:15 Preassigned 3.28, 4.03 A) &rst ixpk= 800, nxpk= 15, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 878, 879, 880, &end # # 34 GLU HN 35 GLY HN 2.80 (# 801:15 Preassigned 1.89, 1.92 A) &rst ixpk= 801, nxpk= 15, iat= 542, 557, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 33 LYS HN 35 GLY HN 4.50 (# 802:15 Preassigned 3.36, 3.37 A) &rst ixpk= 802, nxpk= 15, iat= 520, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 36 ILE HN 35 GLY HN 3.50 (# 803:15 Preassigned 2.14, 2.22 A) &rst ixpk= 803, nxpk= 15, iat= 564, 557, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 34 GLU HA 35 GLY HN 3.50 (# 804:15 Preassigned 3.50, 3.51 A) &rst ixpk= 804, nxpk= 15, iat= 544, 557, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 15-3:805 35 GLY HN 4.50 (# 805:15 Single Ambig) &rst ixpk= 805, nxpk= 15, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 510, 522, &end # # 35 GLY HA- 35 GLY HN 2.80 (# 806:15 Preassigned 2.37, 2.66 A) &rst ixpk= 806, nxpk= 15, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 559, 560, &end # # 35 GLY HA+ 35 GLY HN 2.80 (# 807:15 Preassigned 2.37, 2.66 A) &rst ixpk= 807, nxpk= 15, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 559, 560, &end # # 0 AMB 15-3:808 35 GLY HN 3.50 (# 808:15 Single Ambig) &rst ixpk= 808, nxpk= 15, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 546, 547, 498, 499, &end # # 0 AMB 15-3:809 35 GLY HN 4.50 (# 809:15 Single Ambig) &rst ixpk= 809, nxpk= 15, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 498, 499, 524, 525, &end # # 33 LYS HB- 35 GLY HN 5.50 (# 810:15 Preassigned 4.99, 5.51 A) &rst ixpk= 810, nxpk= 15, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 524, 525, &end # # 34 GLU HB- 35 GLY HN 3.50 (# 811:15 Preassigned 2.70, 3.28 A) &rst ixpk= 811, nxpk= 15, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 546, 547, &end # # 0 AMB 15-3:812 35 GLY HN 4.50 (# 812:15 Single Ambig) &rst ixpk= 812, nxpk= 15, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 574, 575, 568, &end # # 9 THR HN 10 GLY HN 3.50 (# 813:15 Preassigned 1.96, 2.23 A) &rst ixpk= 813, nxpk= 15, iat= 148, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 11 LYS HN 10 GLY HN 3.50 (# 814:15 Preassigned 2.00, 2.07 A) &rst ixpk= 814, nxpk= 15, iat= 169, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 7 THR HA 10 GLY HN 5.50 (# 815:15 Preassigned 4.63, 4.77 A) &rst ixpk= 815, nxpk= 15, iat= 117, 162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 9 THR HA 10 GLY HN 3.50 (# 816:15 Preassigned 3.37, 3.40 A) &rst ixpk= 816, nxpk= 15, iat= 150, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 10 GLY HA- 10 GLY HN 3.50 (# 817:15 Preassigned 2.39, 2.68 A) &rst ixpk= 817, nxpk= 15, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 164, 165, &end # # 8 LEU HA 10 GLY HN 4.50 (# 818:15 Preassigned 3.60, 3.74 A) &rst ixpk= 818, nxpk= 15, iat= 131, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 10 GLY HA+ 10 GLY HN 2.80 (# 819:15 Preassigned 2.39, 2.68 A) &rst ixpk= 819, nxpk= 15, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 164, 165, &end # # 0 AMB 15-3:820 10 GLY HN 4.50 (# 820:15 Single Ambig) &rst ixpk= 820, nxpk= 15, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 106, 107, 106, 107, &end # # 0 AMB 15-3:821 10 GLY HN 4.50 (# 821:15 Single Ambig) &rst ixpk= 821, nxpk= 15, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 154, 155, 156, 176, 177, &end # # 55 THR QG2 22 THR HN 4.50 (# 823:15 Preassigned 2.88, 3.83 A) &rst ixpk= 823, nxpk= 15, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 878, 879, 880, &end # # 22 THR QG2 22 THR HN 3.50 (# 824:15 Preassigned 2.70, 3.57 A) &rst ixpk= 824, nxpk= 15, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 346, 347, 348, &end # # 21 ASP HB+ 22 THR HN 3.50 (# 825:15 Preassigned 2.99, 3.80 A) &rst ixpk= 825, nxpk= 15, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 332, 333, &end # # 25 ASN HB- 22 THR HN 3.50 (# 826:15 Preassigned 3.55, 4.51 A) &rst ixpk= 826, nxpk= 15, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 392, 393, &end # # 25 ASN HB+ 22 THR HN 3.50 (# 827:15 Preassigned 3.55, 4.51 A) &rst ixpk= 827, nxpk= 15, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 392, 393, &end # # 21 ASP HA 22 THR HN 2.80 (# 828:15 Preassigned 2.17, 2.18 A) &rst ixpk= 828, nxpk= 15, iat= 330, 340, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 22 THR HB 22 THR HN 4.50 (# 829:15 Preassigned 3.55, 3.56 A) &rst ixpk= 829, nxpk= 15, iat= 344, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 22 THR HA 22 THR HN 3.50 (# 830:15 Preassigned 2.84, 2.86 A) &rst ixpk= 830, nxpk= 15, iat= 342, 340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 21 ASP HN 22 THR HN 4.50 (# 831:15 Preassigned 4.55, 4.57 A) &rst ixpk= 831, nxpk= 15, iat= 328, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 74 ARG HA 75 GLY HN 3.50 (# 854:15 Preassigned 2.15, 2.38 A) &rst ixpk= 854, nxpk= 15, iat=1196,1218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 75 GLY HA- 75 GLY HN 3.50 (# 855:15 Preassigned 2.30, 2.71 A) &rst ixpk= 855, nxpk= 15, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1220,1221, &end # # 0 AMB 15-3:856 75 GLY HN 4.50 (# 856:15 Single Ambig) &rst ixpk= 856, nxpk= 15, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1201,1202,1201,1202, &end # # 0 AMB 15-3:857 70 VAL HN 3.50 (# 857:15 Single Ambig) &rst ixpk= 857, nxpk= 15, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1101,1102, 664, 665, 664, 665, &end # # 12 THR HB 13 ILE HN 4.50 (# 858:15 Preassigned 4.19, 4.26 A) &rst ixpk= 858, nxpk= 15, iat= 195, 205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:859 13 ILE HN 4.50 (# 859:15 Single Ambig) &rst ixpk= 859, nxpk= 15, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 100, 101, 97, 98, &end # # 0 AMB 15-3:860 13 ILE HN 4.50 (# 860:15 Single Ambig) &rst ixpk= 860, nxpk= 15, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 176, 177, 121, 122, 123, &end # # 69 LEU HN 6 LYS HN 4.50 (# 861:15 Preassigned 4.09, 4.35 A) &rst ixpk= 861, nxpk= 15, iat=1097, 93, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 VAL HB 6 LYS HN 5.50 (# 862:15 Preassigned 4.30, 4.36 A) &rst ixpk= 862, nxpk= 15, iat= 81, 93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 69 LEU HB+ 70 VAL HN 4.50 (# 863:15 Preassigned 4.03, 4.24 A) &rst ixpk= 863, nxpk= 15, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1101,1102, &end # # 41 GLN HA 70 VAL HN 5.50 (# 864:15 Preassigned 4.50, 4.66 A) &rst ixpk= 864, nxpk= 15, iat= 642,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 42 ARG HA 70 VAL HN 5.50 (# 865:15 Preassigned 4.96, 5.01 A) &rst ixpk= 865, nxpk= 15, iat= 659,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 43 LEU HN 70 VAL HN 5.50 (# 866:15 Preassigned 4.83, 4.93 A) &rst ixpk= 866, nxpk= 15, iat= 681,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:867 67 LEU HN 5.50 (# 867:15 Single Ambig) &rst ixpk= 867, nxpk= 15, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 65, 73, &end # # 4 PHE HA 67 LEU HN 5.50 (# 868:15 Preassigned 4.52, 4.60 A) &rst ixpk= 868, nxpk= 15, iat= 59,1061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 66 THR HB 67 LEU HN 4.50 (# 869:15 Preassigned 4.40, 4.43 A) &rst ixpk= 869, nxpk= 15, iat=1051,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:870 67 LEU HN 5.50 (# 870:15 Single Ambig) &rst ixpk= 870, nxpk= 15, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 97, 98, 100, 101, &end # # 17 VAL QG+ 15 LEU HN 5.50 (# 871:15 Preassigned 4.55, 6.21 A) &rst ixpk= 871, nxpk= 15, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 278, 279, 280, 282, 283, 284, &end # # 2 GLN HB+ 15 LEU HN 4.50 (# 872:15 Unique 3.63, 4.61 A) &rst ixpk= 872, nxpk= 15, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 25, 26, &end # # 42 ARG HN 71 LEU HN 5.50 (# 873:15 Preassigned 3.49, 3.71 A) &rst ixpk= 873, nxpk= 15, iat= 657,1132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 41 GLN HA 71 LEU HN 5.50 (# 874:15 Preassigned 4.42, 4.51 A) &rst ixpk= 874, nxpk= 15, iat= 642,1132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 65 SER HA 62 GLN HN 5.50 (# 875:15 Preassigned 5.02, 5.09 A) &rst ixpk= 875, nxpk= 15, iat=1038, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 1 MET QE 62 GLN HN 4.50 (# 876:15 Preassigned 4.84, 5.83 A) &rst ixpk= 876, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 15, 16, 17, &end # # 61 ILE HB 62 GLN HN 4.50 (# 877:15 Preassigned 4.46, 4.47 A) &rst ixpk= 877, nxpk= 15, iat= 967, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 3 ILE QG2 62 GLN HN 5.50 (# 878:15 Preassigned 5.94, 6.19 A) &rst ixpk= 878, nxpk= 15, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 44, 45, 46, &end # # 56 LEU HA 58 ASP HN 4.50 (# 879:15 Preassigned 4.02, 4.06 A) &rst ixpk= 879, nxpk= 15, iat= 888, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 59 TYR HB- 58 ASP HN 5.50 (# 880:15 Preassigned 4.66, 5.40 A) &rst ixpk= 880, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 932, 933, &end # # 54 ARG HB- 58 ASP HN 4.50 (# 881:15 Preassigned 4.78, 5.55 A) &rst ixpk= 881, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 852, 853, &end # # 50 LEU HN 43 LEU HN 4.50 (# 882:15 Preassigned 3.56, 3.80 A) &rst ixpk= 882, nxpk= 15, iat= 795, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 57 SER HN 21 ASP HN 4.50 (# 883:15 Preassigned 4.50, 4.56 A) &rst ixpk= 883, nxpk= 15, iat= 905, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 56 LEU QD+ 21 ASP HN 4.50 (# 884:15 Preassigned 3.98, 5.41 A) &rst ixpk= 884, nxpk= 15, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 895, 896, 897, 899, 900, 901, &end # # 34 GLU HN 31 GLN HN 4.50 (# 885:15 Preassigned 4.45, 4.46 A) &rst ixpk= 885, nxpk= 15, iat= 542, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 33 LYS HN 31 GLN HN 4.50 (# 886:15 Preassigned 3.82, 3.83 A) &rst ixpk= 886, nxpk= 15, iat= 520, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 32 ASP HB- 31 GLN HN 4.50 (# 887:15 Preassigned 4.46, 5.10 A) &rst ixpk= 887, nxpk= 15, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 512, 513, &end # # 0 AMB 15-3:888 31 GLN HN 4.50 (# 888:15 Single Ambig) &rst ixpk= 888, nxpk= 15, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1= 444, 445, 446, 527, 528, 527, 528, 457, 458, 425, 426, &end # # 0 AMB 15-3:889 31 GLN HN 4.50 (# 889:15 Single Ambig) &rst ixpk= 889, nxpk= 15, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1= 422, 423, 568, 425, 426, 574, 575, &end # # 30 ILE QD1 31 GLN HN 4.50 (# 890:15 Unique 4.54, 5.11 A) &rst ixpk= 890, nxpk= 15, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 485, 486, 487, &end # # 26 VAL QG+ 28 ALA HN 4.50 (# 891:15 Preassigned 5.40, 6.49 A) &rst ixpk= 891, nxpk= 15, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 408, 409, 410, 412, 413, 414, &end # # 38 PRO HG+ 28 ALA HN 4.50 (# 892:15 Preassigned 4.66, 5.48 A) &rst ixpk= 892, nxpk= 15, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 601, 602, &end # # 31 GLN HB+ 28 ALA HN 5.50 (# 893:15 Preassigned 5.50, 5.58 A) &rst ixpk= 893, nxpk= 15, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 495, 496, &end # # 5 VAL HN 14 THR HN 5.50 (# 894:15 Preassigned 4.49, 4.51 A) &rst ixpk= 894, nxpk= 15, iat= 77, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 14 THR HA 14 THR HN 3.50 (# 895:15 Preassigned 2.88, 2.89 A) &rst ixpk= 895, nxpk= 15, iat= 226, 224, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 12 THR HB 14 THR HN 5.50 (# 896:15 Preassigned 4.91, 5.02 A) &rst ixpk= 896, nxpk= 15, iat= 195, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:897 14 THR HN 4.50 (# 897:15 Single Ambig) &rst ixpk= 897, nxpk= 15, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 179, 180, 179, 180, 25, 26, &end # # 52 ASP HN 51 GLU HN 4.50 (# 898:15 Preassigned 4.32, 4.36 A) &rst ixpk= 898, nxpk= 15, iat= 829, 814, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:899 51 GLU HN 5.50 (# 899:15 Single Ambig) &rst ixpk= 899, nxpk= 15, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 936, 945, &end # # 0 AMB 15-3:900 51 GLU HN 4.50 (# 900:15 Single Ambig) &rst ixpk= 900, nxpk= 15, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 858, 859, 858, 859, &end # # 23 ILE HB 51 GLU HN 5.50 (# 901:15 Unique 3.67, 3.83 A) &rst ixpk= 901, nxpk= 15, iat= 358, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:902 44 ILE HN 4.50 (# 902:15 Single Ambig) &rst ixpk= 902, nxpk= 15, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1120, 661, 662, &end # # 49 GLN HA 44 ILE HN 4.50 (# 903:15 Preassigned 4.60, 4.69 A) &rst ixpk= 903, nxpk= 15, iat= 780, 700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 64 GLU HN 2 GLN HN 4.50 (# 904:15 Preassigned 2.83, 2.85 A) &rst ixpk= 904, nxpk= 15, iat=1021, 21, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 65 SER HN 2 GLN HN 7.00 (# 905:15 Preassigned 5.19, 5.24 A) &rst ixpk= 905, nxpk= 15, iat=1036, 21, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 14 THR QG2 2 GLN HN 5.50 (# 906:15 Unique 5.75, 5.97 A) &rst ixpk= 906, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 230, 231, 232, &end # # 3 ILE QG2 2 GLN HN 4.50 (# 907:15 Preassigned 4.71, 5.67 A) &rst ixpk= 907, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 44, 45, 46, &end # # 17 VAL QG+ 2 GLN HN 4.50 (# 908:15 Preassigned 5.21, 7.32 A) &rst ixpk= 908, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 278, 279, 280, 282, 283, 284, &end # # 42 ARG HB- 42 ARG HN 3.50 (# 910:15 Preassigned 2.22, 2.64 A) &rst ixpk= 910, nxpk= 15, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 661, 662, &end # # 4 PHE HB+ 13 ILE HN 5.50 (# 911:15 Preassigned 4.93, 5.48 A) &rst ixpk= 911, nxpk= 15, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 61, 62, &end # # 0 AMB 15-3:912 47 GLY HN 5.50 (# 912:15 Single Ambig) &rst ixpk= 912, nxpk= 15, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 763, 764, 763, 764, &end # # 0 AMB 15-3:915 47 GLY HN 5.50 (# 915:15 Single Ambig) &rst ixpk= 915, nxpk= 15, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 758, 780, &end # # 0 AMB 15-3:916 47 GLY HN 5.50 (# 916:15 Single Ambig) &rst ixpk= 916, nxpk= 15, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 727, 735, &end # # 56 LEU QD- 20 SER HN 5.50 (# 917:15 Unique 4.68, 6.61 A) &rst ixpk= 917, nxpk= 15, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 895, 896, 897, 899, 900, 901, &end # # 55 THR QG2 20 SER HN 5.50 (# 918:15 Preassigned 5.57, 6.50 A) &rst ixpk= 918, nxpk= 15, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 878, 879, 880, &end # # 56 LEU HB- 20 SER HN 5.50 (# 919:15 Preassigned 4.26, 5.11 A) &rst ixpk= 919, nxpk= 15, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 890, 891, &end # # 55 THR HB 20 SER HN 5.50 (# 920:15 Preassigned 5.01, 5.08 A) &rst ixpk= 920, nxpk= 15, iat= 876, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 21 ASP HA 20 SER HN 4.50 (# 921:15 Unique 4.61, 4.64 A) &rst ixpk= 921, nxpk= 15, iat= 330, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 57 SER HN 20 SER HN 5.50 (# 922:15 Preassigned 4.78, 4.80 A) &rst ixpk= 922, nxpk= 15, iat= 905, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 18 GLU HN 20 SER HN 4.50 (# 923:15 Preassigned 4.57, 4.65 A) &rst ixpk= 923, nxpk= 15, iat= 288, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 11 LYS HB- 9 THR HN 4.50 (# 925:15 Preassigned 4.38, 5.39 A) &rst ixpk= 925, nxpk= 15, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 173, 174, &end # # 0 AMB 15-3:926 9 THR HN 5.50 (# 926:15 Single Ambig) &rst ixpk= 926, nxpk= 15, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 106, 107, 106, 107, &end # # 69 LEU HN 9 THR HN 7.00 (# 927:15 Unique 5.80, 5.94 A) &rst ixpk= 927, nxpk= 15, iat=1097, 148, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 7 THR HN 9 THR HN 5.50 (# 928:15 Preassigned 4.09, 4.37 A) &rst ixpk= 928, nxpk= 15, iat= 115, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 44 ILE HB 46 ALA HN 5.50 (# 936:15 Preassigned 5.67, 5.85 A) &rst ixpk= 936, nxpk= 15, iat= 704, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 47 GLY HA+ 46 ALA HN 5.50 (# 937:15 Preassigned 5.15, 5.32 A) &rst ixpk= 937, nxpk= 15, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 751, 752, &end # # 47 GLY HA- 46 ALA HN 5.50 (# 938:15 Preassigned 5.15, 5.32 A) &rst ixpk= 938, nxpk= 15, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 751, 752, &end # # 67 LEU HA 46 ALA HN 4.50 (# 939:15 Preassigned 4.57, 4.67 A) &rst ixpk= 939, nxpk= 15, iat=1063, 739, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 48 LYS HN 46 ALA HN 4.50 (# 940:15 Preassigned 3.89, 3.92 A) &rst ixpk= 940, nxpk= 15, iat= 756, 739, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 68 HIS HN 46 ALA HN 5.50 (# 941:15 Preassigned 5.09, 5.20 A) &rst ixpk= 941, nxpk= 15, iat=1080, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 23 ILE QD1 55 THR HN 5.50 (# 942:15 Preassigned 4.02, 4.85 A) &rst ixpk= 942, nxpk= 15, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 367, 368, 369, &end # # 22 THR QG2 55 THR HN 4.50 (# 943:15 Preassigned 4.29, 5.39 A) &rst ixpk= 943, nxpk= 15, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 346, 347, 348, &end # # 0 AMB 15-3:944 55 THR HN 5.50 (# 944:15 Single Ambig) &rst ixpk= 944, nxpk= 15, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 888, 843, 844, 797, &end # # 58 ASP HA 55 THR HN 4.50 (# 945:15 Unique 4.60, 4.63 A) &rst ixpk= 945, nxpk= 15, iat= 918, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 59 TYR HE1 55 THR HN 4.50 (# 946:15 Preassigned 3.44, 3.53 A) &rst ixpk= 946, nxpk= 15, iat= 938, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:947 55 THR HN 4.50 (# 947:15 Single Ambig) &rst ixpk= 947, nxpk= 15, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 936, 928, &end # # 56 LEU HN 55 THR HN 5.50 (# 948:15 Preassigned 4.47, 4.47 A) &rst ixpk= 948, nxpk= 15, iat= 886, 872, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 SER HN 55 THR HN 7.00 (# 949:15 Preassigned 5.24, 5.29 A) &rst ixpk= 949, nxpk= 15, iat= 905, 872, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 23 ILE HN 55 THR HN 5.50 (# 950:15 Preassigned 4.35, 4.39 A) &rst ixpk= 950, nxpk= 15, iat= 354, 872, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 32 ASP HN 35 GLY HN 5.50 (# 951:15 Preassigned 4.13, 4.15 A) &rst ixpk= 951, nxpk= 15, iat= 508, 557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:952 35 GLY HN 5.50 (# 952:15 Single Ambig) &rst ixpk= 952, nxpk= 15, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 474, 584, 585, &end # # 0 AMB 15-3:953 35 GLY HN 4.50 (# 953:15 Single Ambig) &rst ixpk= 953, nxpk= 15, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 478, 479, 480, 218, 219, 220, &end # # 36 ILE HG1+ 35 GLY HN 4.50 (# 954:15 Preassigned 4.11, 4.93 A) &rst ixpk= 954, nxpk= 15, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 574, 575, &end # # 8 LEU HN 10 GLY HN 4.50 (# 955:15 Preassigned 4.22, 4.37 A) &rst ixpk= 955, nxpk= 15, iat= 129, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 7 THR HN 10 GLY HN 4.50 (# 956:15 Preassigned 3.91, 4.03 A) &rst ixpk= 956, nxpk= 15, iat= 115, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 12 THR HN 10 GLY HN 7.00 (# 957:15 Preassigned 6.36, 6.49 A) &rst ixpk= 957, nxpk= 15, iat= 191, 162, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 0 AMB 15-3:960 10 GLY HN 4.50 (# 960:15 Single Ambig) &rst ixpk= 960, nxpk= 15, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 133, 134, 133, 134, &end # # 11 LYS HB- 10 GLY HN 4.50 (# 961:15 Preassigned 4.02, 4.79 A) &rst ixpk= 961, nxpk= 15, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 173, 174, &end # # 6 LYS HG+ 10 GLY HN 5.50 (# 962:15 Preassigned 3.66, 4.54 A) &rst ixpk= 962, nxpk= 15, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 100, 101, &end # # 23 ILE HN 22 THR HN 4.50 (# 963:15 Preassigned 4.59, 4.61 A) &rst ixpk= 963, nxpk= 15, iat= 354, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:964 22 THR HN 4.50 (# 964:15 Single Ambig) &rst ixpk= 964, nxpk= 15, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 402, 886, &end # # 55 THR HA 22 THR HN 4.50 (# 965:15 Preassigned 4.30, 4.33 A) &rst ixpk= 965, nxpk= 15, iat= 874, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:966 22 THR HN 5.50 (# 966:15 Single Ambig) &rst ixpk= 966, nxpk= 15, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 319, 831, &end # # 0 AMB 15-3:967 22 THR HN 5.50 (# 967:15 Single Ambig) &rst ixpk= 967, nxpk= 15, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 295, 296, 380, 381, 380, 381, 406, &end # # 0 AMB 15-3:968 22 THR HN 5.50 (# 968:15 Single Ambig) &rst ixpk= 968, nxpk= 15, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 377, 378, 377, 378, &end # # 26 VAL QG+ 22 THR HN 4.50 (# 969:15 Preassigned 4.89, 7.26 A) &rst ixpk= 969, nxpk= 15, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 408, 409, 410, 412, 413, 414, &end # # 0 AMB 15-3:970 22 THR HN 4.50 (# 970:15 Single Ambig) &rst ixpk= 970, nxpk= 15, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 408, 409, 410, 412, 413, 414, 895, 896, 897, 899, 900, 901, &end # # 0 AMB 15-3:971 22 THR HN 5.50 (# 971:15 Single Ambig) &rst ixpk= 971, nxpk= 15, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901, &end # # 0 AMB 15-3:972 67 LEU HN 5.50 (# 972:15 Single Ambig) &rst ixpk= 972, nxpk= 15, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11, igr1= 197, 198, 199, 973, 974, 48, 49, &end # # 69 LEU HA 70 VAL HN 2.80 (# 973:15 Preassigned 2.14, 2.14 A) &rst ixpk= 973, nxpk= 15, iat=1099,1116, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 2 GLN HG+ 15 LEU HN 5.50 (# 974:15 Preassigned 4.40, 4.73 A) &rst ixpk= 974, nxpk= 15, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 28, 29, &end # # 0 AMB 15-3:975 15 LEU HN 5.50 (# 975:15 Single Ambig) &rst ixpk= 975, nxpk= 15, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 272, 21, &end # # 65 SER HG 62 GLN HN 4.50 (# 976:15 Unique 2.69, 3.58 A) &rst ixpk= 976, nxpk= 15, iat=1043, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 22 THR HA 21 ASP HN 5.50 (# 977:15 Preassigned 5.38, 5.41 A) &rst ixpk= 977, nxpk= 15, iat= 342, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 18 GLU HA 21 ASP HN 5.50 (# 978:15 Preassigned 4.64, 4.72 A) &rst ixpk= 978, nxpk= 15, iat= 290, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 25 ASN HB+ 21 ASP HN 7.00 (# 979:15 Preassigned 6.89, 7.37 A) &rst ixpk= 979, nxpk= 15, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 392, 393, &end # # 17 VAL QG+ 21 ASP HN 5.50 (# 980:15 Preassigned 6.17, 6.94 A) &rst ixpk= 980, nxpk= 15, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 278, 279, 280, 282, 283, 284, &end # # 32 ASP HB+ 31 GLN HN 4.50 (# 981:15 Preassigned 4.46, 5.10 A) &rst ixpk= 981, nxpk= 15, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 512, 513, &end # # 30 ILE HN 28 ALA HN 4.50 (# 982:15 Preassigned 4.28, 4.31 A) &rst ixpk= 982, nxpk= 15, iat= 472, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 26 VAL HA 28 ALA HN 4.50 (# 983:15 Preassigned 4.54, 4.56 A) &rst ixpk= 983, nxpk= 15, iat= 404, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 25 ASN HB- 28 ALA HN 5.50 (# 984:15 Unique 5.54, 5.82 A) &rst ixpk= 984, nxpk= 15, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 392, 393, &end # # 12 THR HA 14 THR HN 5.50 (# 985:15 Preassigned 5.35, 5.43 A) &rst ixpk= 985, nxpk= 15, iat= 193, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 64 GLU HB- 2 GLN HN 5.50 (# 986:15 Preassigned 6.05, 6.24 A) &rst ixpk= 986, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1025,1026, &end # # 0 AMB 15-3:987 2 GLN HN 5.50 (# 987:15 Single Ambig) &rst ixpk= 987, nxpk= 15, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1012,1013,1012,1013, &end # # 64 GLU HA 2 GLN HN 5.50 (# 988:15 Preassigned 4.51, 4.53 A) &rst ixpk= 988, nxpk= 15, iat=1023, 21, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 54 ARG HN 51 GLU HN 5.50 (# 989:15 Preassigned 3.57, 3.61 A) &rst ixpk= 989, nxpk= 15, iat= 848, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 2 GLN HA 16 GLU HN 4.50 (# 993:15 Preassigned 4.34, 4.38 A) &rst ixpk= 993, nxpk= 15, iat= 23, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 44 ILE HA 49 GLN HN 4.50 (# 994:15 Preassigned 4.30, 4.42 A) &rst ixpk= 994, nxpk= 15, iat= 702, 778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 44 ILE HG1+ 49 GLN HN 5.50 (# 996:15 Preassigned 3.87, 5.15 A) &rst ixpk= 996, nxpk= 15, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 710, 711, &end # # 44 ILE HG1- 49 GLN HN 4.50 (# 997:15 Preassigned 3.87, 5.15 A) &rst ixpk= 997, nxpk= 15, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 710, 711, &end # # 41 GLN HN 42 ARG HN 4.50 (# 998:15 Preassigned 3.96, 3.98 A) &rst ixpk= 998, nxpk= 15, iat= 640, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 43 LEU HN 42 ARG HN 4.50 (# 999:15 Preassigned 4.52, 4.57 A) &rst ixpk= 999, nxpk= 15, iat= 681, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 9 THR HN 11 LYS HN 3.50 (# 1000:15 Preassigned 3.14, 3.38 A) &rst ixpk= 1000, nxpk= 15, iat= 148, 169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 6 LYS HA 11 LYS HN 4.50 (# 1001:15 Preassigned 4.40, 4.55 A) &rst ixpk= 1001, nxpk= 15, iat= 95, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:1002 11 LYS HN 5.50 (# 1002:15 Single Ambig) &rst ixpk= 1002, nxpk= 15, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 182, 183, 182, 183, &end # # 0 AMB 15-3:1003 11 LYS HN 4.50 (# 1003:15 Single Ambig) &rst ixpk= 1003, nxpk= 15, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 106, 107, 106, 107, &end # # 0 AMB 15-3:1004 11 LYS HN 5.50 (# 1004:15 Single Ambig) &rst ixpk= 1004, nxpk= 15, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 133, 134, 133, 134, &end # # 0 AMB 15-3:1006 5 VAL HN 4.50 (# 1006:15 Single Ambig) &rst ixpk= 1006, nxpk= 15, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 242, 243, 97, 98, 100, 101, &end # # 13 ILE HA 5 VAL HN 5.50 (# 1007:15 Preassigned 4.78, 4.81 A) &rst ixpk= 1007, nxpk= 15, iat= 207, 77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 PHE HE2 5 VAL HN 7.00 (# 1008:15 Unique 6.99, 7.05 A) &rst ixpk= 1008, nxpk= 15, iat= 71, 77, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 14 THR HN 5 VAL HN 5.50 (# 1009:15 Unique 4.49, 4.51 A) &rst ixpk= 1009, nxpk= 15, iat= 224, 77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 13 ILE HG1- 30 ILE HN 7.00 (# 1010:15 Preassigned 7.25, 7.53 A) &rst ixpk= 1010, nxpk= 15, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 215, 216, &end # # 31 GLN HB+ 30 ILE HN 4.50 (# 1011:15 Preassigned 4.86, 4.98 A) &rst ixpk= 1011, nxpk= 15, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 495, 496, &end # # 26 VAL HA 30 ILE HN 5.50 (# 1012:15 Preassigned 4.48, 4.53 A) &rst ixpk= 1012, nxpk= 15, iat= 404, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 GLN HA 30 ILE HN 5.50 (# 1013:15 Preassigned 5.24, 5.27 A) &rst ixpk= 1013, nxpk= 15, iat= 493, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 41 GLN HE2+ 30 ILE HN 4.50 (# 1014:15 Preassigned 3.53, 4.32 A) &rst ixpk= 1014, nxpk= 15, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 652, 653, &end # # 34 GLU HN 30 ILE HN 7.00 (# 1015:15 Preassigned 5.78, 5.79 A) &rst ixpk= 1015, nxpk= 15, iat= 542, 472, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 55 THR HN 23 ILE HN 4.50 (# 1016:15 Preassigned 4.35, 4.39 A) &rst ixpk= 1016, nxpk= 15, iat= 872, 354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 54 ARG HN 23 ILE HN 4.50 (# 1017:15 Preassigned 3.65, 3.84 A) &rst ixpk= 1017, nxpk= 15, iat= 848, 354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:1018 23 ILE HN 4.50 (# 1018:15 Single Ambig) &rst ixpk= 1018, nxpk= 15, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 340, 388, &end # # 23 ILE HB 23 ILE HN 3.50 (# 1019:15 Preassigned 2.68, 2.71 A) &rst ixpk= 1019, nxpk= 15, iat= 358, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 25 ASN HD2+ 25 ASN HN 5.50 (# 1020:15 Preassigned 2.53, 3.42 A) &rst ixpk= 1020, nxpk= 15, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 397, 398, &end # # 26 VAL HA 25 ASN HN 5.50 (# 1022:15 Preassigned 5.25, 5.28 A) &rst ixpk= 1022, nxpk= 15, iat= 404, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1023 25 ASN HN 4.50 (# 1023:15 Single Ambig) &rst ixpk= 1023, nxpk= 15, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 332, 333, 833, 834, 358, &end # # 65 SER HN 63 LYS HN 5.50 (# 1024:15 Preassigned 4.81, 4.88 A) &rst ixpk= 1024, nxpk= 15, iat=1036, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 61 ILE HA 63 LYS HN 7.00 (# 1026:15 Preassigned 4.69, 4.76 A) &rst ixpk= 1026, nxpk= 15, iat= 965, 999, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 0 AMB 15-3:1027 63 LYS HN 4.50 (# 1027:15 Single Ambig) &rst ixpk= 1027, nxpk= 15, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1012,1013,1012,1013, &end # # 3 ILE QG2 63 LYS HN 5.50 (# 1028:15 Preassigned 4.22, 4.67 A) &rst ixpk= 1028, nxpk= 15, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 44, 45, 46, &end # # 61 ILE QG2 63 LYS HN 5.50 (# 1029:15 Preassigned 3.12, 3.96 A) &rst ixpk= 1029, nxpk= 15, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 969, 970, 971, &end # # 29 LYS HE- 29 LYS HN 4.50 (# 1030:15 Preassigned 4.04, 4.70 A) &rst ixpk= 1030, nxpk= 15, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 463, 464, &end # # 0 AMB 15-3:1031 29 LYS HN 4.50 (# 1031:15 Single Ambig) &rst ixpk= 1031, nxpk= 15, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 463, 464, 392, 393, &end # # 41 GLN HE2- 36 ILE HN 4.50 (# 1032:15 Preassigned 4.25, 4.89 A) &rst ixpk= 1032, nxpk= 15, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 652, 653, &end # # 33 LYS HN 36 ILE HN 5.50 (# 1033:15 Preassigned 5.04, 5.06 A) &rst ixpk= 1033, nxpk= 15, iat= 520, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 37 PRO HD- 36 ILE HN 4.50 (# 1034:15 Preassigned 4.74, 4.80 A) &rst ixpk= 1034, nxpk= 15, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 584, 585, &end # # 31 GLN HB+ 36 ILE HN 4.50 (# 1035:15 Preassigned 4.08, 4.51 A) &rst ixpk= 1035, nxpk= 15, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 495, 496, &end # # 7 THR QG2 36 ILE HN 7.00 (# 1036:15 Unique 7.08, 7.81 A) &rst ixpk= 1036, nxpk= 15, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 121, 122, 123, &end # # 30 ILE QD1 32 ASP HN 5.50 (# 1037:15 Unique 5.66, 6.24 A) &rst ixpk= 1037, nxpk= 15, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 485, 486, 487, &end # # 30 ILE HA 32 ASP HN 4.50 (# 1038:15 Preassigned 4.12, 4.15 A) &rst ixpk= 1038, nxpk= 15, iat= 474, 508, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 36 ILE HN 32 ASP HN 5.50 (# 1039:15 Preassigned 5.23, 5.27 A) &rst ixpk= 1039, nxpk= 15, iat= 564, 508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 41 GLN HE2- 32 ASP HN 5.50 (# 1040:15 Preassigned 4.75, 5.61 A) &rst ixpk= 1040, nxpk= 15, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 652, 653, &end # # 10 GLY HN 8 LEU HN 5.50 (# 1041:15 Preassigned 4.22, 4.37 A) &rst ixpk= 1041, nxpk= 15, iat= 162, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 45 PHE HD1 68 HIS HN 4.50 (# 1042:15 Preassigned 3.87, 4.03 A) &rst ixpk= 1042, nxpk= 15, iat= 727,1080, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 23 ILE QD1 54 ARG HN 4.50 (# 1043:15 Preassigned 4.87, 5.49 A) &rst ixpk= 1043, nxpk= 15, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 367, 368, 369, &end # # 23 ILE QG2 54 ARG HN 4.50 (# 1044:15 Preassigned 5.27, 5.78 A) &rst ixpk= 1044, nxpk= 15, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 360, 361, 362, &end # # 55 THR QG2 54 ARG HN 5.50 (# 1045:15 Preassigned 5.22, 6.39 A) &rst ixpk= 1045, nxpk= 15, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 878, 879, 880, &end # # 52 ASP HN 54 ARG HN 4.50 (# 1046:15 Preassigned 4.23, 4.25 A) &rst ixpk= 1046, nxpk= 15, iat= 829, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 26 VAL QG+ 18 GLU HN 5.50 (# 1047:15 Preassigned 4.87, 6.75 A) &rst ixpk= 1047, nxpk= 15, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 408, 409, 410, 412, 413, 414, &end # # 19 PRO HD- 18 GLU HN 4.50 (# 1048:15 Preassigned 4.82, 4.89 A) &rst ixpk= 1048, nxpk= 15, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 304, 305, &end # # 19 PRO HD+ 18 GLU HN 5.50 (# 1049:15 Preassigned 4.82, 4.89 A) &rst ixpk= 1049, nxpk= 15, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 304, 305, &end # # 20 SER HN 18 GLU HN 5.50 (# 1050:15 Preassigned 4.57, 4.65 A) &rst ixpk= 1050, nxpk= 15, iat= 317, 288, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 SER HN 61 ILE HN 5.50 (# 1051:15 Preassigned 4.45, 4.67 A) &rst ixpk= 1051, nxpk= 15, iat= 905, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 58 ASP HN 61 ILE HN 5.50 (# 1052:15 Preassigned 4.60, 4.70 A) &rst ixpk= 1052, nxpk= 15, iat= 916, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 59 TYR HA 61 ILE HN 5.50 (# 1053:15 Preassigned 4.13, 4.47 A) &rst ixpk= 1053, nxpk= 15, iat= 930, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 SER HB- 61 ILE HN 5.50 (# 1054:15 Preassigned 4.76, 5.40 A) &rst ixpk= 1054, nxpk= 15, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 909, 910, &end # # 56 LEU HB+ 61 ILE HN 5.50 (# 1055:15 Preassigned 4.21, 4.80 A) &rst ixpk= 1055, nxpk= 15, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 890, 891, &end # # 50 LEU QD+ 68 HIS HN 5.50 (# 1056:15 Unique 4.09, 5.77 A) &rst ixpk= 1056, nxpk= 15, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 804, 805, 806, 808, 809, 810, &end # # 45 PHE HB+ 68 HIS HN 4.50 (# 1057:15 Preassigned 4.17, 4.98 A) &rst ixpk= 1057, nxpk= 15, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 723, 724, &end # # 69 LEU HN 68 HIS HN 4.50 (# 1058:15 Preassigned 4.27, 4.33 A) &rst ixpk= 1058, nxpk= 15, iat=1097,1080, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 67 LEU HN 68 HIS HN 4.50 (# 1059:15 Preassigned 4.52, 4.55 A) &rst ixpk= 1059, nxpk= 15, iat=1061,1080, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 65 SER HN 4 PHE HN 5.50 (# 1060:15 Preassigned 3.10, 3.15 A) &rst ixpk= 1060, nxpk= 15, iat=1036, 57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1061 4 PHE HN 5.50 (# 1061:15 Single Ambig) &rst ixpk= 1061, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 28, 29,1028,1029, &end # # 21 ASP HB+ 56 LEU HN 5.50 (# 1062:15 Preassigned 4.22, 4.84 A) &rst ixpk= 1062, nxpk= 15, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 332, 333, &end # # 0 AMB 15-3:1063 56 LEU HN 4.50 (# 1063:15 Single Ambig) &rst ixpk= 1063, nxpk= 15, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 909, 910, 321, 322, &end # # 58 ASP HN 56 LEU HN 4.50 (# 1064:15 Preassigned 3.96, 3.98 A) &rst ixpk= 1064, nxpk= 15, iat= 916, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 21 ASP HN 56 LEU HN 4.50 (# 1065:15 Preassigned 3.77, 3.83 A) &rst ixpk= 1065, nxpk= 15, iat= 328, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 55 THR HN 56 LEU HN 5.50 (# 1066:15 Preassigned 4.47, 4.47 A) &rst ixpk= 1066, nxpk= 15, iat= 872, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 38 PRO HB+ 41 GLN HN 4.50 (# 1067:15 Preassigned 4.83, 5.05 A) &rst ixpk= 1067, nxpk= 15, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 604, 605, &end # # 41 GLN HE2+ 41 GLN HN 4.50 (# 1069:15 Preassigned 4.61, 5.33 A) &rst ixpk= 1069, nxpk= 15, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 652, 653, &end # # 1 MET HG+ 17 VAL HN 4.50 (# 1070:15 Preassigned 3.05, 3.61 A) &rst ixpk= 1070, nxpk= 15, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 11, 12, &end # # 37 PRO HA 40 GLN HN 5.50 (# 1071:15 Preassigned 4.74, 4.75 A) &rst ixpk= 1071, nxpk= 15, iat= 593, 623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1072 40 GLN HN 5.50 (# 1072:15 Single Ambig) &rst ixpk= 1072, nxpk= 15, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 598, 599, 598, 599, &end # # 37 PRO HD- 40 GLN HN 5.50 (# 1073:15 Preassigned 4.65, 5.19 A) &rst ixpk= 1073, nxpk= 15, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 584, 585, &end # # 0 AMB 15-3:1074 40 GLN HN 5.50 (# 1074:15 Single Ambig) &rst ixpk= 1074, nxpk= 15, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 422, 423, 568, &end # # 60 ASN HD2- 60 ASN HN 5.50 (# 1075:15 Preassigned 2.77, 3.82 A) &rst ixpk= 1075, nxpk= 15, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 958, 959, &end # # 58 ASP HB+ 60 ASN HN 5.50 (# 1076:15 Preassigned 5.13, 5.41 A) &rst ixpk= 1076, nxpk= 15, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 920, 921, &end # # 0 AMB 15-3:1077 60 ASN HN 5.50 (# 1077:15 Single Ambig) &rst ixpk= 1077, nxpk= 15, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 989, 990, 920, 921, &end # # 54 ARG HB- 60 ASN HN 7.00 (# 1078:15 Preassigned 7.27, 7.98 A) &rst ixpk= 1078, nxpk= 15, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 852, 853, &end # # 61 ILE HB 60 ASN HN 4.50 (# 1079:15 Preassigned 4.71, 4.76 A) &rst ixpk= 1079, nxpk= 15, iat= 967, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 61 ILE HG1+ 60 ASN HN 4.50 (# 1080:15 Preassigned 4.25, 5.20 A) &rst ixpk= 1080, nxpk= 15, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 973, 974, &end # # 30 ILE HN 33 LYS HN 5.50 (# 1082:15 Preassigned 4.79, 4.79 A) &rst ixpk= 1082, nxpk= 15, iat= 472, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1083 33 LYS HN 5.50 (# 1083:15 Single Ambig) &rst ixpk= 1083, nxpk= 15, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 533, 534, 533, 534, &end # # 31 GLN HB+ 33 LYS HN 5.50 (# 1084:15 Preassigned 4.81, 5.17 A) &rst ixpk= 1084, nxpk= 15, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 495, 496, &end # # 0 AMB 15-3:1085 33 LYS HN 5.50 (# 1085:15 Single Ambig) &rst ixpk= 1085, nxpk= 15, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 215, 216, 460, 461, &end # # 0 AMB 15-3:1086 59 TYR HN 4.50 (# 1086:15 Single Ambig) &rst ixpk= 1086, nxpk= 15, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901, &end # # 60 ASN HB- 59 TYR HN 5.50 (# 1087:15 Preassigned 4.98, 5.45 A) &rst ixpk= 1087, nxpk= 15, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 953, 954, &end # # 0 AMB 15-3:1088 59 TYR HN 5.50 (# 1088:15 Single Ambig) &rst ixpk= 1088, nxpk= 15, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 953, 954, 965, &end # # 57 SER HB- 59 TYR HN 4.50 (# 1089:15 Preassigned 4.83, 5.00 A) &rst ixpk= 1089, nxpk= 15, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 909, 910, &end # # 55 THR HB 59 TYR HN 5.50 (# 1090:15 Preassigned 5.65, 5.67 A) &rst ixpk= 1090, nxpk= 15, iat= 876, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 SER HN 59 TYR HN 4.50 (# 1091:15 Preassigned 4.09, 4.11 A) &rst ixpk= 1091, nxpk= 15, iat= 905, 928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 55 THR HN 59 TYR HN 5.50 (# 1092:15 Preassigned 4.87, 4.96 A) &rst ixpk= 1092, nxpk= 15, iat= 872, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 64 GLU HB- 65 SER HN 4.50 (# 1094:15 Preassigned 4.34, 4.38 A) &rst ixpk= 1094, nxpk= 15, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1025,1026, &end # # 0 AMB 15-3:1095 65 SER HN 4.50 (# 1095:15 Single Ambig) &rst ixpk= 1095, nxpk= 15, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1003,1004, 8, 9, &end # # 3 ILE HB 65 SER HN 4.50 (# 1096:15 Preassigned 3.82, 3.88 A) &rst ixpk= 1096, nxpk= 15, iat= 42,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 2 GLN HN 64 GLU HN 5.50 (# 1098:15 Preassigned 2.83, 2.85 A) &rst ixpk= 1098, nxpk= 15, iat= 21,1021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 PHE HN 64 GLU HN 5.50 (# 1099:15 Preassigned 5.46, 5.58 A) &rst ixpk= 1099, nxpk= 15, iat= 57,1021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 65 SER HB- 64 GLU HN 5.50 (# 1100:15 Preassigned 4.64, 5.47 A) &rst ixpk= 1100, nxpk= 15, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1040,1041, &end # # 0 AMB 15-3:1101 64 GLU HN 4.50 (# 1101:15 Single Ambig) &rst ixpk= 1101, nxpk= 15, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1= 15, 16, 17,1009,1010, 25, 26, &end # # 61 ILE QG2 64 GLU HN 7.00 (# 1102:15 Unique 5.55, 6.28 A) &rst ixpk= 1102, nxpk= 15, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 969, 970, 971, &end # # 10 GLY HN 7 THR HN 4.50 (# 1103:15 Preassigned 3.91, 4.03 A) &rst ixpk= 1103, nxpk= 15, iat= 162, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 9 THR HN 7 THR HN 5.50 (# 1104:15 Preassigned 4.09, 4.37 A) &rst ixpk= 1104, nxpk= 15, iat= 148, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1105 7 THR HN 5.50 (# 1105:15 Single Ambig) &rst ixpk= 1105, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 106, 107, 106, 107, &end # # 11 LYS HB- 7 THR HN 4.50 (# 1106:15 Preassigned 3.45, 4.40 A) &rst ixpk= 1106, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 173, 174, &end # # 0 AMB 15-3:1107 3 ILE HN 4.50 (# 1107:15 Single Ambig) &rst ixpk= 1107, nxpk= 15, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 264, 265, 8, 9, 8, 9, &end # # 64 GLU HA 3 ILE HN 7.00 (# 1108:15 Preassigned 5.23, 5.29 A) &rst ixpk= 1108, nxpk= 15, iat=1023, 38, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 4 PHE HA 3 ILE HN 5.50 (# 1109:15 Preassigned 4.74, 4.78 A) &rst ixpk= 1109, nxpk= 15, iat= 59, 38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 PHE HN 3 ILE HN 4.50 (# 1110:15 Preassigned 4.38, 4.41 A) &rst ixpk= 1110, nxpk= 15, iat= 57, 38, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 13 ILE HN 7 THR HN 4.50 (# 1111:15 Preassigned 3.90, 4.05 A) &rst ixpk= 1111, nxpk= 15, iat= 205, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 32 ASP HB- 34 GLU HN 5.50 (# 1112:15 Preassigned 5.23, 5.34 A) &rst ixpk= 1112, nxpk= 15, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 512, 513, &end # # 0 AMB 15-3:1113 34 GLU HN 5.50 (# 1113:15 Single Ambig) &rst ixpk= 1113, nxpk= 15, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 574, 575, 215, 216, &end # # 27 LYS HB+ 39 ASP HN 5.50 (# 1114:15 Preassigned 5.68, 6.18 A) &rst ixpk= 1114, nxpk= 15, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 422, 423, &end # # 36 ILE QG2 39 ASP HN 5.50 (# 1115:15 Preassigned 5.93, 6.90 A) &rst ixpk= 1115, nxpk= 15, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 570, 571, 572, &end # # 0 AMB 15-3:1121 6 LYS HN 4.50 (# 1121:15 Single Ambig) &rst ixpk= 1121, nxpk= 15, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 197, 198, 199,1101,1102, &end # # 68 HIS HB- 6 LYS HN 5.50 (# 1122:15 Preassigned 5.48, 5.89 A) &rst ixpk= 1122, nxpk= 15, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1084,1085, &end # # 4 PHE HB- 6 LYS HN 5.50 (# 1123:15 Preassigned 4.45, 4.72 A) &rst ixpk= 1123, nxpk= 15, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 61, 62, &end # # 5 VAL HB 67 LEU HN 5.50 (# 1124:15 Preassigned 5.15, 5.28 A) &rst ixpk= 1124, nxpk= 15, iat= 81,1061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 LYS HG+ 6 LYS HN 4.50 (# 1125:15 Preassigned 4.13, 4.39 A) &rst ixpk= 1125, nxpk= 15, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 100, 101, &end # # 0 AMB 15-3:1126 6 LYS HN 5.50 (# 1126:15 Single Ambig) &rst ixpk= 1126, nxpk= 15, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1068, 42, 704, &end # # 44 ILE HB 50 LEU HN 7.00 (# 1127:15 Preassigned 5.51, 5.63 A) &rst ixpk= 1127, nxpk= 15, iat= 704, 795, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 0 AMB 15-3:1129 15 LEU HN 5.50 (# 1129:15 Single Ambig) &rst ixpk= 1129, nxpk= 15, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 71, 69, &end # # 0 AMB 15-3:1130 15 LEU HN 4.50 (# 1130:15 Single Ambig) &rst ixpk= 1130, nxpk= 15, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 51, 52, 53, 44, 45, 46, &end # # 44 ILE HG1+ 45 PHE HN 4.50 (# 1131:15 Preassigned 3.62, 4.42 A) &rst ixpk= 1131, nxpk= 15, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 710, 711, &end # # 70 VAL QG+ 45 PHE HN 7.00 (# 1132:15 Unique 5.90, 7.90 A) &rst ixpk= 1132, nxpk= 15, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr1=1122,1123,1124,1126,1127,1128, &end # # 55 THR HB 21 ASP HN 4.50 (# 1133:15 Preassigned 3.92, 4.00 A) &rst ixpk= 1133, nxpk= 15, iat= 876, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 55 THR HA 21 ASP HN 5.50 (# 1134:15 Preassigned 5.15, 5.20 A) &rst ixpk= 1134, nxpk= 15, iat= 874, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 19 PRO HD+ 21 ASP HN 4.50 (# 1135:15 Preassigned 4.63, 5.06 A) &rst ixpk= 1135, nxpk= 15, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 304, 305, &end # # 56 LEU HG 21 ASP HN 4.50 (# 1136:15 Preassigned 3.40, 3.55 A) &rst ixpk= 1136, nxpk= 15, iat= 893, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 55 THR QG2 21 ASP HN 4.50 (# 1137:15 Preassigned 4.07, 5.14 A) &rst ixpk= 1137, nxpk= 15, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 878, 879, 880, &end # # 56 LEU HB- 21 ASP HN 4.50 (# 1138:15 Preassigned 3.61, 4.47 A) &rst ixpk= 1138, nxpk= 15, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 890, 891, &end # # 31 GLN HE2+ 31 GLN HN 5.50 (# 1139:15 Preassigned 5.87, 6.24 A) &rst ixpk= 1139, nxpk= 15, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 503, 504, &end # # 36 ILE HN 31 GLN HN 4.50 (# 1140:15 Preassigned 4.72, 4.73 A) &rst ixpk= 1140, nxpk= 15, iat= 564, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 49 GLN HA 51 GLU HN 7.00 (# 1141:15 Preassigned 6.33, 6.42 A) &rst ixpk= 1141, nxpk= 15, iat= 780, 814, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 54 ARG HG+ 51 GLU HN 4.50 (# 1142:15 Preassigned 3.19, 3.93 A) &rst ixpk= 1142, nxpk= 15, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 855, 856, &end # # 0 AMB 15-3:1143 0 AMB 15-1:1143 5.50 (# 1143:15 Double Ambig) &rst ixpk= 1143, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 115, 872, igr2=1097, 814, &end # # 0 AMB 15-3:1144 69 LEU HN 5.50 (# 1144:15 Single Ambig) &rst ixpk= 1144, nxpk= 15, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 704,1068, &end # # 7 THR QG2 69 LEU HN 4.50 (# 1145:15 Preassigned 3.81, 4.71 A) &rst ixpk= 1145, nxpk= 15, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 121, 122, 123, &end # # 0 AMB 15-3:1146 14 THR HN 4.50 (# 1146:15 Single Ambig) &rst ixpk= 1146, nxpk= 15, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 530, 531, 530, 531, &end # # 50 LEU HN 44 ILE HN 5.50 (# 1147:15 Preassigned 4.43, 4.54 A) &rst ixpk= 1147, nxpk= 15, iat= 795, 700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1148 74 ARG HN 5.50 (# 1148:15 Single Ambig) &rst ixpk= 1148, nxpk= 15, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 667, 668, 667, 668, &end # # 16 GLU HA 16 GLU HN 3.50 (# 1151:15 Preassigned 2.87, 2.88 A) &rst ixpk= 1151, nxpk= 15, iat= 259, 257, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 24 GLU HA 26 VAL HN 5.50 (# 1152:15 Preassigned 4.46, 4.48 A) &rst ixpk= 1152, nxpk= 15, iat= 375, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 70 VAL QG+ 42 ARG HN 5.50 (# 1154:15 Preassigned 2.63, 5.01 A) &rst ixpk= 1154, nxpk= 15, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1122,1123,1124,1126,1127,1128, &end # # 0 AMB 15-3:1155 0 AMB 15-1:1155 2.80 (# 1155:15 Double Ambig) &rst ixpk= 1155, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 408, 409, 410, 412, 413, 414, 247, 248, 249, 251, 252, 253, igr2= 402, 257, &end # # 0 AMB 15-3:1156 42 ARG HN 3.50 (# 1156:15 Single Ambig) &rst ixpk= 1156, nxpk= 15, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 664, 665, 664, 665, &end # # 0 AMB 15-3:1157 0 AMB 15-1:1157 4.50 (# 1157:15 Double Ambig) &rst ixpk= 1157, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901, 51, 52, 53, igr2= 402, 257, &end # # 12 THR HA 11 LYS HN 5.50 (# 1158:15 Preassigned 4.93, 5.11 A) &rst ixpk= 1158, nxpk= 15, iat= 193, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 13 ILE QG2 11 LYS HN 5.50 (# 1159:15 Preassigned 6.13, 7.18 A) &rst ixpk= 1159, nxpk= 15, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 211, 212, 213, &end # # 0 AMB 15-3:1160 5 VAL HN 4.50 (# 1160:15 Single Ambig) &rst ixpk= 1160, nxpk= 15, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1065,1066, 179, 180, 179, 180, &end # # 0 AMB 15-3:1161 5 VAL HN 4.50 (# 1161:15 Single Ambig) &rst ixpk= 1161, nxpk= 15, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1065,1066, 530, 531, 530, 531, &end # # 0 AMB 15-3:1162 23 ILE HN 4.50 (# 1162:15 Single Ambig) &rst ixpk= 1162, nxpk= 15, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 850, 330, &end # # 0 AMB 15-3:1163 0 AMB 15-1:1163 4.50 (# 1163:15 Double Ambig) &rst ixpk= 1163, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 659, 876, igr2=1151, 354, &end # # 23 ILE HG1+ 23 ILE HN 2.80 (# 1164:15 Preassigned 2.13, 2.95 A) &rst ixpk= 1164, nxpk= 15, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 364, 365, &end # # 0 AMB 15-3:1165 23 ILE HN 4.50 (# 1165:15 Single Ambig) &rst ixpk= 1165, nxpk= 15, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 852, 853, 377, 378, 377, 378, &end # # 55 THR QG2 23 ILE HN 4.50 (# 1166:15 Preassigned 3.78, 4.68 A) &rst ixpk= 1166, nxpk= 15, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 878, 879, 880, &end # # 0 AMB 15-3:1167 0 AMB 15-1:1167 5.50 (# 1167:15 Double Ambig) &rst ixpk= 1167, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, igr1=1122,1123,1124,1126,1127,1128, 408, 409, 410, 412, 413, 414,1184,1185,1186,1188,1189,1190, igr2=1151, 354, &end # # 6 LYS HA 12 THR HN 4.50 (# 1168:15 Preassigned 4.28, 4.32 A) &rst ixpk= 1168, nxpk= 15, iat= 95, 191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 21 ASP HA 25 ASN HN 7.00 (# 1169:15 Preassigned 5.69, 5.81 A) &rst ixpk= 1169, nxpk= 15, iat= 330, 388, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 52 ASP HA 25 ASN HN 5.50 (# 1170:15 Preassigned 4.84, 4.89 A) &rst ixpk= 1170, nxpk= 15, iat= 831, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 23 ILE HA 25 ASN HN 5.50 (# 1171:15 Preassigned 4.51, 4.55 A) &rst ixpk= 1171, nxpk= 15, iat= 356, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1172 25 ASN HN 4.50 (# 1172:15 Single Ambig) &rst ixpk= 1172, nxpk= 15, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1= 425, 426, 444, 445, 446, 428, 429, &end # # 23 ILE QG2 25 ASN HN 5.50 (# 1173:15 Preassigned 5.63, 6.41 A) &rst ixpk= 1173, nxpk= 15, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 360, 361, 362, &end # # 23 ILE QD1 25 ASN HN 5.50 (# 1174:15 Preassigned 6.09, 6.78 A) &rst ixpk= 1174, nxpk= 15, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 367, 368, 369, &end # # 0 AMB 15-3:1176 12 THR HN 4.50 (# 1176:15 Single Ambig) &rst ixpk= 1176, nxpk= 15, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 179, 180, 179, 180, &end # # 13 ILE QG2 12 THR HN 5.50 (# 1177:15 Preassigned 4.89, 5.96 A) &rst ixpk= 1177, nxpk= 15, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 211, 212, 213, &end # # 49 GLN HN 48 LYS HN 4.50 (# 1179:15 Preassigned 4.19, 4.34 A) &rst ixpk= 1179, nxpk= 15, iat= 778, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 45 PHE HA 48 LYS HN 5.50 (# 1180:15 Preassigned 4.22, 4.26 A) &rst ixpk= 1180, nxpk= 15, iat= 721, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 49 GLN HB+ 48 LYS HN 7.00 (# 1181:15 Preassigned 5.98, 6.55 A) &rst ixpk= 1181, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 782, 783, &end # # 44 ILE HG1+ 48 LYS HN 5.50 (# 1182:15 Preassigned 4.71, 5.97 A) &rst ixpk= 1182, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 710, 711, &end # # 0 AMB 15-3:1183 29 LYS HN 4.50 (# 1183:15 Single Ambig) &rst ixpk= 1183, nxpk= 15, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 508, 402, &end # # 47 GLY HA- 48 LYS HN 3.50 (# 1184:15 Preassigned 3.18, 3.28 A) &rst ixpk= 1184, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 751, 752, &end # # 25 ASN HA 29 LYS HN 4.50 (# 1185:15 Preassigned 4.60, 4.64 A) &rst ixpk= 1185, nxpk= 15, iat= 390, 450, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 46 ALA HA 48 LYS HN 4.50 (# 1186:15 Preassigned 4.08, 4.13 A) &rst ixpk= 1186, nxpk= 15, iat= 741, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 30 ILE HA 29 LYS HN 5.50 (# 1187:15 Preassigned 5.33, 5.35 A) &rst ixpk= 1187, nxpk= 15, iat= 474, 450, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1188 48 LYS HN 4.50 (# 1188:15 Single Ambig) &rst ixpk= 1188, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 769, 770, 769, 770, &end # # 47 GLY HA+ 48 LYS HN 3.50 (# 1189:15 Preassigned 3.18, 3.28 A) &rst ixpk= 1189, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 751, 752, &end # # 31 GLN HB+ 29 LYS HN 5.50 (# 1190:15 Unique 5.19, 5.56 A) &rst ixpk= 1190, nxpk= 15, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 495, 496, &end # # 30 ILE QD1 29 LYS HN 4.50 (# 1191:15 Preassigned 3.91, 5.00 A) &rst ixpk= 1191, nxpk= 15, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 485, 486, 487, &end # # 0 AMB 15-3:1192 41 GLN HN 3.50 (# 1192:15 Single Ambig) &rst ixpk= 1192, nxpk= 15, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 644, 645, 644, 645, &end # # 0 AMB 15-3:1193 41 GLN HN 4.50 (# 1193:15 Single Ambig) &rst ixpk= 1193, nxpk= 15, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 425, 426, 422, 423, &end # # 36 ILE QG2 41 GLN HN 4.50 (# 1194:15 Preassigned 4.15, 4.79 A) &rst ixpk= 1194, nxpk= 15, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 570, 571, 572, &end # # 39 ASP HB+ 40 GLN HN 4.50 (# 1196:15 Preassigned 3.09, 3.68 A) &rst ixpk= 1196, nxpk= 15, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 615, 616, &end # # 38 PRO HB+ 40 GLN HN 4.50 (# 1197:15 Preassigned 4.89, 5.20 A) &rst ixpk= 1197, nxpk= 15, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 604, 605, &end # # 56 LEU HA 60 ASN HN 5.50 (# 1198:15 Preassigned 5.67, 5.70 A) &rst ixpk= 1198, nxpk= 15, iat= 888, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 54 ARG HB- 59 TYR HN 5.50 (# 1199:15 Preassigned 5.24, 5.97 A) &rst ixpk= 1199, nxpk= 15, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 852, 853, &end # # 0 AMB 15-3:1200 33 LYS HN 4.50 (# 1200:15 Single Ambig) &rst ixpk= 1200, nxpk= 15, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 549, 550, 454, 455, &end # # 0 AMB 15-3:1201 33 LYS HN 3.50 (# 1201:15 Single Ambig) &rst ixpk= 1201, nxpk= 15, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 546, 547, 530, 531, 530, 531, &end # # 4 PHE HD1 64 GLU HN 7.00 (# 1202:15 Preassigned 6.59, 6.63 A) &rst ixpk= 1202, nxpk= 15, iat= 65,1021, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 4 PHE HN 65 SER HN 4.50 (# 1203:15 Preassigned 3.10, 3.15 A) &rst ixpk= 1203, nxpk= 15, iat= 57,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 63 LYS HN 65 SER HN 5.50 (# 1204:15 Preassigned 4.81, 4.88 A) &rst ixpk= 1204, nxpk= 15, iat= 999,1036, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 15 LEU HA 3 ILE HN 4.50 (# 1205:15 Preassigned 4.48, 4.50 A) &rst ixpk= 1205, nxpk= 15, iat= 240, 38, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 66 THR QG2 7 THR HN 7.00 (# 1206:15 Preassigned 6.93, 7.56 A) &rst ixpk= 1206, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1=1053,1054,1055, &end # # 0 AMB 15-3:1207 57 SER HN 7.00 (# 1207:15 Single Ambig) &rst ixpk= 1207, nxpk= 15, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1= 330, 930, 850, &end # # 61 ILE HB 57 SER HN 4.50 (# 1208:15 Preassigned 3.90, 4.00 A) &rst ixpk= 1208, nxpk= 15, iat= 967, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:1210 3 ILE HN 7.00 (# 1210:15 Single Ambig) &rst ixpk= 1210, nxpk= 15, iat= -1, 38, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1=1021, 77, &end # # 61 ILE QG2 4 PHE HN 5.50 (# 1211:15 Unique 5.62, 6.31 A) &rst ixpk= 1211, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 969, 970, 971, &end # # 0 AMB 15-3:1212 4 PHE HN 7.00 (# 1212:15 Single Ambig) &rst ixpk= 1212, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32, igr1= 97, 98, 242, 243, &end # # 66 THR HB 4 PHE HN 5.50 (# 1213:15 Preassigned 5.61, 5.69 A) &rst ixpk= 1213, nxpk= 15, iat=1051, 57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 VAL HA 4 PHE HN 5.50 (# 1214:15 Preassigned 4.91, 4.96 A) &rst ixpk= 1214, nxpk= 15, iat= 79, 57, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 14 THR HA 4 PHE HN 7.00 (# 1215:15 Preassigned 4.37, 4.41 A) &rst ixpk= 1215, nxpk= 15, iat= 226, 57, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 65 SER HB- 4 PHE HN 5.50 (# 1216:15 Preassigned 3.86, 4.37 A) &rst ixpk= 1216, nxpk= 15, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1040,1041, &end # # 4 PHE HN 5 VAL HN 4.50 (# 1217:15 Preassigned 4.13, 4.14 A) &rst ixpk= 1217, nxpk= 15, iat= 57, 77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 15 LEU HN 5 VAL HN 4.50 (# 1218:15 Unique 3.85, 3.90 A) &rst ixpk= 1218, nxpk= 15, iat= 238, 77, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 68 HIS HD2 6 LYS HN 7.00 (# 1219:15 Preassigned 5.97, 6.80 A) &rst ixpk= 1219, nxpk= 15, iat=1093, 93, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 4 PHE HA 6 LYS HN 5.50 (# 1220:15 Preassigned 5.06, 5.10 A) &rst ixpk= 1220, nxpk= 15, iat= 59, 93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 10 GLY HA+ 7 THR HN 5.50 (# 1221:15 Preassigned 4.96, 5.66 A) &rst ixpk= 1221, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 164, 165, &end # # 13 ILE HA 7 THR HN 7.00 (# 1222:15 Preassigned 6.47, 6.62 A) &rst ixpk= 1222, nxpk= 15, iat= 207, 115, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 69 LEU HN 7 THR HN 5.50 (# 1223:15 Preassigned 4.16, 4.30 A) &rst ixpk= 1223, nxpk= 15, iat=1097, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 11 LYS HB- 8 LEU HN 7.00 (# 1224:15 Preassigned 6.09, 7.22 A) &rst ixpk= 1224, nxpk= 15, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 173, 174, &end # # 69 LEU HN 8 LEU HN 4.50 (# 1225:15 Preassigned 3.67, 3.90 A) &rst ixpk= 1225, nxpk= 15, iat=1097, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:1226 9 THR HN 5.50 (# 1226:15 Single Ambig) &rst ixpk= 1226, nxpk= 15, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 179, 180, 179, 180, 97, 98, 103, 104, &end # # 10 GLY HA- 9 THR HN 4.50 (# 1227:15 Preassigned 4.36, 4.79 A) &rst ixpk= 1227, nxpk= 15, iat= -1, 148, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 164, 165, &end # # 9 THR HB 9 THR HN 3.50 (# 1228:15 Preassigned 2.33, 2.39 A) &rst ixpk= 1228, nxpk= 15, iat= 152, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 11 LYS HB+ 10 GLY HN 4.50 (# 1231:15 Preassigned 4.02, 4.79 A) &rst ixpk= 1231, nxpk= 15, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 173, 174, &end # # 0 AMB 15-3:1232 10 GLY HN 4.50 (# 1232:15 Single Ambig) &rst ixpk= 1232, nxpk= 15, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 103, 104, 103, 104, 179, 180, 179, 180, 97, 98, &end # # 6 LYS HG- 10 GLY HN 5.50 (# 1233:15 Preassigned 3.66, 4.54 A) &rst ixpk= 1233, nxpk= 15, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 100, 101, &end # # 16 GLU HN 3 ILE HN 5.50 (# 1234:15 Preassigned 4.75, 4.77 A) &rst ixpk= 1234, nxpk= 15, iat= 257, 38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 3 ILE HA 5 VAL HN 5.50 (# 1235:15 Preassigned 5.44, 5.51 A) &rst ixpk= 1235, nxpk= 15, iat= 40, 77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1236 7 THR HN 5.50 (# 1236:15 Single Ambig) &rst ixpk= 1236, nxpk= 15, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 81, 133, 134, 133, 134, &end # # 11 LYS HN 8 LEU HN 5.50 (# 1237:15 Preassigned 5.26, 5.32 A) &rst ixpk= 1237, nxpk= 15, iat= 169, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 LEU HG 9 THR HN 5.50 (# 1239:15 Preassigned 4.94, 5.10 A) &rst ixpk= 1239, nxpk= 15, iat= 136, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 LEU HN 11 LYS HN 5.50 (# 1240:15 Preassigned 5.26, 5.32 A) &rst ixpk= 1240, nxpk= 15, iat= 129, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1241 12 THR HN 5.50 (# 1241:15 Single Ambig) &rst ixpk= 1241, nxpk= 15, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 182, 183, 182, 183, &end # # 13 ILE HN 12 THR HN 4.50 (# 1242:15 Preassigned 4.00, 4.07 A) &rst ixpk= 1242, nxpk= 15, iat= 205, 191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:1243 13 ILE HN 4.50 (# 1243:15 Single Ambig) &rst ixpk= 1243, nxpk= 15, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 179, 180, 179, 180, &end # # 0 AMB 15-3:1244 14 THR HN 4.50 (# 1244:15 Single Ambig) &rst ixpk= 1244, nxpk= 15, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 533, 534, 533, 534, &end # # 4 PHE HA 14 THR HN 5.50 (# 1245:15 Preassigned 4.03, 4.10 A) &rst ixpk= 1245, nxpk= 15, iat= 59, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 PHE HD2 14 THR HN 5.50 (# 1246:15 Preassigned 4.41, 4.49 A) &rst ixpk= 1246, nxpk= 15, iat= 73, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 13 ILE HA 15 LEU HN 7.00 (# 1247:15 Preassigned 5.88, 5.92 A) &rst ixpk= 1247, nxpk= 15, iat= 207, 238, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 4 PHE HB+ 15 LEU HN 5.50 (# 1248:15 Preassigned 5.92, 6.26 A) &rst ixpk= 1248, nxpk= 15, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 61, 62, &end # # 3 ILE HG1- 15 LEU HN 4.50 (# 1249:15 Preassigned 2.94, 3.86 A) &rst ixpk= 1249, nxpk= 15, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 48, 49, &end # # 18 GLU HN 17 VAL HN 4.50 (# 1250:15 Preassigned 4.31, 4.32 A) &rst ixpk= 1250, nxpk= 15, iat= 288, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 1 MET HA 17 VAL HN 5.50 (# 1251:15 Preassigned 4.83, 4.92 A) &rst ixpk= 1251, nxpk= 15, iat= 6, 272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1252 17 VAL HN 5.50 (# 1252:15 Single Ambig) &rst ixpk= 1252, nxpk= 15, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 245, 242, 243, &end # # 15 LEU HB+ 17 VAL HN 5.50 (# 1253:15 Preassigned 5.71, 6.32 A) &rst ixpk= 1253, nxpk= 15, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 242, 243, &end # # 3 ILE HG1+ 17 VAL HN 5.50 (# 1254:15 Preassigned 3.94, 4.18 A) &rst ixpk= 1254, nxpk= 15, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 48, 49, &end # # 0 AMB 15-3:1255 18 GLU HN 5.50 (# 1255:15 Single Ambig) &rst ixpk= 1255, nxpk= 15, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 51, 52, 53, 44, 45, 46, &end # # 0 AMB 15-3:1256 18 GLU HN 5.50 (# 1256:15 Single Ambig) &rst ixpk= 1256, nxpk= 15, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 460, 461, 245, &end # # 0 AMB 15-3:1257 18 GLU HN 5.50 (# 1257:15 Single Ambig) &rst ixpk= 1257, nxpk= 15, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 893, 457, 458, &end # # 1 MET HG- 18 GLU HN 5.50 (# 1258:15 Unique 4.50, 5.34 A) &rst ixpk= 1258, nxpk= 15, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 11, 12, &end # # 29 LYS HE+ 18 GLU HN 5.50 (# 1259:15 Preassigned 5.51, 6.31 A) &rst ixpk= 1259, nxpk= 15, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 463, 464, &end # # 17 VAL HN 18 GLU HN 4.50 (# 1260:15 Preassigned 4.31, 4.32 A) &rst ixpk= 1260, nxpk= 15, iat= 272, 288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 21 ASP HB- 20 SER HN 4.50 (# 1261:15 Preassigned 3.83, 4.74 A) &rst ixpk= 1261, nxpk= 15, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 332, 333, &end # # 18 GLU HG- 20 SER HN 4.50 (# 1262:15 Unique 2.76, 4.10 A) &rst ixpk= 1262, nxpk= 15, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 295, 296, &end # # 56 LEU HG 20 SER HN 5.50 (# 1263:15 Preassigned 5.04, 5.18 A) &rst ixpk= 1263, nxpk= 15, iat= 893, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 22 THR HN 21 ASP HN 4.50 (# 1264:15 Preassigned 4.55, 4.57 A) &rst ixpk= 1264, nxpk= 15, iat= 340, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 71 LEU HB- 72 ARG HN 3.50 (# 1265:15 Preassigned 3.65, 4.16 A) &rst ixpk= 1265, nxpk= 15, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1136,1137, &end # # 0 AMB 15-3:1266 23 ILE HN 4.50 (# 1266:15 Single Ambig) &rst ixpk= 1266, nxpk= 15, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1= 406, 821, 822, 920, 921, 380, 381, &end # # 0 AMB 15-3:1267 72 ARG HN 4.50 (# 1267:15 Single Ambig) &rst ixpk= 1267, nxpk= 15, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 630, 631, 630, 631, &end # # 41 GLN HA 72 ARG HN 5.50 (# 1268:15 Unique 2.00, 2.10 A) &rst ixpk= 1268, nxpk= 15, iat= 642,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1269 23 ILE HN 5.50 (# 1269:15 Single Ambig) &rst ixpk= 1269, nxpk= 15, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 938, 397, 398, &end # # 69 LEU HA 42 ARG HN 7.00 (# 1270:15 Preassigned 5.79, 5.91 A) &rst ixpk= 1270, nxpk= 15, iat=1099, 657, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 30 ILE HN 27 LYS HN 5.50 (# 1271:15 Preassigned 4.91, 4.92 A) &rst ixpk= 1271, nxpk= 15, iat= 472, 418, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1272 27 LYS HN 5.50 (# 1272:15 Single Ambig) &rst ixpk= 1272, nxpk= 15, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 442, 607, 452, &end # # 25 ASN HB+ 27 LYS HN 5.50 (# 1273:15 Preassigned 5.51, 5.84 A) &rst ixpk= 1273, nxpk= 15, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 392, 393, &end # # 25 ASN HB- 27 LYS HN 5.50 (# 1274:15 Preassigned 5.51, 5.84 A) &rst ixpk= 1274, nxpk= 15, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 392, 393, &end # # 43 LEU HB+ 27 LYS HN 5.50 (# 1275:15 Preassigned 5.64, 6.35 A) &rst ixpk= 1275, nxpk= 15, iat= -1, 418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 685, 686, &end # # 41 GLN HE2+ 28 ALA HN 5.50 (# 1276:15 Preassigned 4.51, 5.15 A) &rst ixpk= 1276, nxpk= 15, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 652, 653, &end # # 41 GLN HE2- 28 ALA HN 5.50 (# 1277:15 Preassigned 4.51, 5.15 A) &rst ixpk= 1277, nxpk= 15, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 652, 653, &end # # 32 ASP HB- 29 LYS HN 5.50 (# 1278:15 Preassigned 5.32, 6.03 A) &rst ixpk= 1278, nxpk= 15, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 512, 513, &end # # 0 AMB 15-3:1279 29 LYS HN 4.50 (# 1279:15 Single Ambig) &rst ixpk= 1279, nxpk= 15, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 512, 513, 392, 393, &end # # 32 ASP HB- 30 ILE HN 5.50 (# 1280:15 Preassigned 5.43, 5.97 A) &rst ixpk= 1280, nxpk= 15, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 512, 513, &end # # 32 ASP HB+ 30 ILE HN 5.50 (# 1281:15 Preassigned 5.43, 5.97 A) &rst ixpk= 1281, nxpk= 15, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 512, 513, &end # # 33 LYS HN 30 ILE HN 5.50 (# 1282:15 Preassigned 4.79, 4.79 A) &rst ixpk= 1282, nxpk= 15, iat= 520, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1283 31 GLN HN 4.50 (# 1283:15 Single Ambig) &rst ixpk= 1283, nxpk= 15, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 454, 455, 549, 550, &end # # 0 AMB 15-3:1284 32 ASP HN 7.00 (# 1284:15 Single Ambig) &rst ixpk= 1284, nxpk= 15, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32, igr1= 460, 461, 422, 423, &end # # 29 LYS HB+ 32 ASP HN 4.50 (# 1285:15 Unique 5.15, 5.27 A) &rst ixpk= 1285, nxpk= 15, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 454, 455, &end # # 32 ASP HB- 32 ASP HN 2.80 (# 1286:15 Preassigned 2.14, 2.68 A) &rst ixpk= 1286, nxpk= 15, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 512, 513, &end # # 31 GLN HE2+ 32 ASP HN 5.50 (# 1287:15 Preassigned 6.21, 6.25 A) &rst ixpk= 1287, nxpk= 15, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 503, 504, &end # # 36 ILE HN 33 LYS HN 5.50 (# 1288:15 Preassigned 5.04, 5.06 A) &rst ixpk= 1288, nxpk= 15, iat= 564, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1289 34 GLU HN 4.50 (# 1289:15 Single Ambig) &rst ixpk= 1289, nxpk= 15, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 211, 212, 213, 485, 486, 487, &end # # 32 ASP HB+ 34 GLU HN 5.50 (# 1290:15 Preassigned 5.23, 5.34 A) &rst ixpk= 1290, nxpk= 15, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 512, 513, &end # # 31 GLN HB+ 35 GLY HN 5.50 (# 1292:15 Preassigned 4.76, 4.88 A) &rst ixpk= 1292, nxpk= 15, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 495, 496, &end # # 34 GLU HG- 35 GLY HN 4.50 (# 1293:15 Preassigned 4.37, 4.81 A) &rst ixpk= 1293, nxpk= 15, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 549, 550, &end # # 36 ILE QG2 35 GLY HN 5.50 (# 1294:15 Preassigned 6.48, 6.80 A) &rst ixpk= 1294, nxpk= 15, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 570, 571, 572, &end # # 32 ASP HN 36 ILE HN 5.50 (# 1295:15 Preassigned 5.23, 5.27 A) &rst ixpk= 1295, nxpk= 15, iat= 508, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 GLN HE2+ 39 ASP HN 5.50 (# 1296:15 Preassigned 5.69, 6.45 A) &rst ixpk= 1296, nxpk= 15, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 503, 504, &end # # 37 PRO HD- 39 ASP HN 5.50 (# 1297:15 Preassigned 6.12, 6.28 A) &rst ixpk= 1297, nxpk= 15, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 584, 585, &end # # 71 LEU QD+ 40 GLN HN 5.50 (# 1298:15 Unique 6.45, 7.58 A) &rst ixpk= 1298, nxpk= 15, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1141,1142,1143,1145,1146,1147, &end # # 41 GLN HE2- 41 GLN HN 5.50 (# 1299:15 Preassigned 4.61, 5.33 A) &rst ixpk= 1299, nxpk= 15, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 652, 653, &end # # 0 AMB 15-3:1300 41 GLN HN 4.50 (# 1300:15 Single Ambig) &rst ixpk= 1300, nxpk= 15, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 630, 631, 630, 631, 590, 591, &end # # 42 ARG HB+ 42 ARG HN 2.80 (# 1301:15 Preassigned 2.22, 2.64 A) &rst ixpk= 1301, nxpk= 15, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 661, 662, &end # # 72 ARG HA 42 ARG HN 5.50 (# 1302:15 Unique 3.01, 3.18 A) &rst ixpk= 1302, nxpk= 15, iat=1153, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 71 LEU HN 42 ARG HN 4.50 (# 1303:15 Preassigned 3.49, 3.71 A) &rst ixpk= 1303, nxpk= 15, iat=1132, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 49 GLN HN 45 PHE HN 4.50 (# 1304:15 Preassigned 4.16, 4.33 A) &rst ixpk= 1304, nxpk= 15, iat= 778, 719, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:1305 46 ALA HN 4.50 (# 1305:15 Single Ambig) &rst ixpk= 1305, nxpk= 15, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 729, 733, &end # # 44 ILE HA 47 GLY HN 5.50 (# 1306:15 Preassigned 5.32, 5.47 A) &rst ixpk= 1306, nxpk= 15, iat= 702, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 45 PHE HB+ 47 GLY HN 5.50 (# 1310:15 Preassigned 5.43, 5.83 A) &rst ixpk= 1310, nxpk= 15, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 723, 724, &end # # 50 LEU QD+ 48 LYS HN 5.50 (# 1312:15 Preassigned 4.67, 6.82 A) &rst ixpk= 1312, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 804, 805, 806, 808, 809, 810, &end # # 44 ILE QG2 48 LYS HN 3.50 (# 1313:15 Preassigned 2.84, 3.77 A) &rst ixpk= 1313, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 706, 707, 708, &end # # 46 ALA QB 48 LYS HN 4.50 (# 1314:15 Preassigned 3.70, 4.38 A) &rst ixpk= 1314, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 743, 744, 745, &end # # 45 PHE HB- 48 LYS HN 4.50 (# 1315:15 Preassigned 4.01, 4.66 A) &rst ixpk= 1315, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 723, 724, &end # # 0 AMB 15-3:1316 48 LYS HN 5.50 (# 1316:15 Single Ambig) &rst ixpk= 1316, nxpk= 15, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 735, 727, &end # # 50 LEU HA 49 GLN HN 5.50 (# 1317:15 Preassigned 4.63, 5.19 A) &rst ixpk= 1317, nxpk= 15, iat= 797, 778, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1318 49 GLN HN 5.50 (# 1318:15 Single Ambig) &rst ixpk= 1318, nxpk= 15, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 769, 770, 769, 770, &end # # 68 HIS HN 50 LEU HN 7.00 (# 1321:15 Preassigned 6.47, 6.64 A) &rst ixpk= 1321, nxpk= 15, iat=1080, 795, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 44 ILE HN 50 LEU HN 5.50 (# 1322:15 Preassigned 4.43, 4.54 A) &rst ixpk= 1322, nxpk= 15, iat= 700, 795, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 52 ASP HA 51 GLU HN 5.50 (# 1323:15 Preassigned 4.91, 5.00 A) &rst ixpk= 1323, nxpk= 15, iat= 831, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 LEU HA 69 LEU HN 5.50 (# 1324:15 Preassigned 5.13, 5.24 A) &rst ixpk= 1324, nxpk= 15, iat= 131,1097, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 23 ILE HG1- 51 GLU HN 4.50 (# 1325:15 Unique 2.44, 2.84 A) &rst ixpk= 1325, nxpk= 15, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 364, 365, &end # # 52 ASP HB+ 52 ASP HN 3.50 (# 1326:15 Preassigned 2.09, 2.90 A) &rst ixpk= 1326, nxpk= 15, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 833, 834, &end # # 51 GLU HN 52 ASP HN 4.50 (# 1327:15 Preassigned 4.32, 4.36 A) &rst ixpk= 1327, nxpk= 15, iat= 814, 829, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 23 ILE HN 52 ASP HN 7.00 (# 1328:15 Preassigned 5.75, 5.83 A) &rst ixpk= 1328, nxpk= 15, iat= 354, 829, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 55 THR HA 54 ARG HN 5.50 (# 1330:15 Preassigned 5.06, 5.19 A) &rst ixpk= 1330, nxpk= 15, iat= 874, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 22 THR HB 54 ARG HN 4.50 (# 1331:15 Preassigned 4.46, 4.60 A) &rst ixpk= 1331, nxpk= 15, iat= 344, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 51 GLU HA 54 ARG HN 5.50 (# 1332:15 Preassigned 4.46, 4.49 A) &rst ixpk= 1332, nxpk= 15, iat= 816, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 59 TYR HB+ 55 THR HN 5.50 (# 1333:15 Preassigned 5.92, 6.57 A) &rst ixpk= 1333, nxpk= 15, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 932, 933, &end # # 0 AMB 15-3:1334 56 LEU HN 5.50 (# 1334:15 Single Ambig) &rst ixpk= 1334, nxpk= 15, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 936, 928, &end # # 22 THR HB 56 LEU HN 7.00 (# 1335:15 Preassigned 6.24, 6.27 A) &rst ixpk= 1335, nxpk= 15, iat= 344, 886, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 21 ASP HB- 56 LEU HN 5.50 (# 1336:15 Preassigned 4.22, 4.84 A) &rst ixpk= 1336, nxpk= 15, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 332, 333, &end # # 19 PRO HB- 56 LEU HN 5.50 (# 1337:15 Preassigned 6.04, 6.29 A) &rst ixpk= 1337, nxpk= 15, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 310, 311, &end # # 61 ILE HB 56 LEU HN 5.50 (# 1338:15 Preassigned 4.85, 4.90 A) &rst ixpk= 1338, nxpk= 15, iat= 967, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 26 VAL QG+ 56 LEU HN 4.50 (# 1339:15 Preassigned 4.35, 6.21 A) &rst ixpk= 1339, nxpk= 15, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 408, 409, 410, 412, 413, 414, &end # # 0 AMB 15-3:1341 57 SER HN 4.50 (# 1341:15 Single Ambig) &rst ixpk= 1341, nxpk= 15, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 15, 16, 17, 292, 293, &end # # 58 ASP HB+ 57 SER HN 4.50 (# 1342:15 Preassigned 4.51, 5.02 A) &rst ixpk= 1342, nxpk= 15, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 920, 921, &end # # 57 SER HB+ 57 SER HN 3.50 (# 1343:15 Preassigned 2.17, 2.91 A) &rst ixpk= 1343, nxpk= 15, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 909, 910, &end # # 20 SER HA 57 SER HN 4.50 (# 1344:15 Preassigned 3.56, 3.64 A) &rst ixpk= 1344, nxpk= 15, iat= 319, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 55 THR HN 57 SER HN 5.50 (# 1345:15 Preassigned 5.24, 5.29 A) &rst ixpk= 1345, nxpk= 15, iat= 872, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 59 TYR HE1 58 ASP HN 5.50 (# 1346:15 Preassigned 5.33, 5.43 A) &rst ixpk= 1346, nxpk= 15, iat= 938, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 SER HB+ 58 ASP HN 4.50 (# 1347:15 Preassigned 3.08, 3.54 A) &rst ixpk= 1347, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 909, 910, &end # # 59 TYR HB+ 58 ASP HN 4.50 (# 1348:15 Preassigned 4.66, 5.40 A) &rst ixpk= 1348, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 932, 933, &end # # 0 AMB 15-3:1349 58 ASP HN 5.50 (# 1349:15 Single Ambig) &rst ixpk= 1349, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43, igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901, &end # # 61 ILE QD1 58 ASP HN 5.50 (# 1350:15 Preassigned 4.90, 6.05 A) &rst ixpk= 1350, nxpk= 15, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 976, 977, 978, &end # # 61 ILE HB 59 TYR HN 5.50 (# 1351:15 Preassigned 3.93, 3.96 A) &rst ixpk= 1351, nxpk= 15, iat= 967, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 60 ASN HA 59 TYR HN 4.50 (# 1352:15 Preassigned 4.38, 4.42 A) &rst ixpk= 1352, nxpk= 15, iat= 951, 928, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 60 ASN HD2+ 59 TYR HN 5.50 (# 1353:15 Preassigned 4.41, 5.91 A) &rst ixpk= 1353, nxpk= 15, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 958, 959, &end # # 61 ILE HG1- 59 TYR HN 5.50 (# 1354:15 Preassigned 3.99, 4.88 A) &rst ixpk= 1354, nxpk= 15, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 973, 974, &end # # 61 ILE HG1- 60 ASN HN 5.50 (# 1355:15 Preassigned 4.25, 5.20 A) &rst ixpk= 1355, nxpk= 15, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 973, 974, &end # # 57 SER HN 60 ASN HN 5.50 (# 1356:15 Preassigned 5.41, 5.44 A) &rst ixpk= 1356, nxpk= 15, iat= 905, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 60 ASN HD2+ 60 ASN HN 4.50 (# 1357:15 Preassigned 2.77, 3.82 A) &rst ixpk= 1357, nxpk= 15, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 958, 959, &end # # 0 AMB 15-3:1358 60 ASN HN 5.50 (# 1358:15 Single Ambig) &rst ixpk= 1358, nxpk= 15, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 733, 731, &end # # 57 SER HB+ 60 ASN HN 4.50 (# 1360:15 Preassigned 4.86, 5.30 A) &rst ixpk= 1360, nxpk= 15, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 909, 910, &end # # 1 MET QE 61 ILE HN 5.50 (# 1361:15 Preassigned 5.99, 6.85 A) &rst ixpk= 1361, nxpk= 15, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 15, 16, 17, &end # # 62 GLN HG- 61 ILE HN 5.50 (# 1362:15 Unique 3.83, 4.87 A) &rst ixpk= 1362, nxpk= 15, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 989, 990, &end # # 57 SER HB+ 61 ILE HN 5.50 (# 1363:15 Preassigned 4.76, 5.40 A) &rst ixpk= 1363, nxpk= 15, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 909, 910, &end # # 45 PHE HE2 61 ILE HN 4.50 (# 1364:15 Preassigned 4.47, 4.59 A) &rst ixpk= 1364, nxpk= 15, iat= 733, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 1 MET HG+ 63 LYS HN 5.50 (# 1366:15 Unique 3.61, 4.22 A) &rst ixpk= 1366, nxpk= 15, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 11, 12, &end # # 2 GLN HN 63 LYS HN 5.50 (# 1367:15 Preassigned 5.45, 5.50 A) &rst ixpk= 1367, nxpk= 15, iat= 21, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1368 65 SER HN 5.50 (# 1368:15 Single Ambig) &rst ixpk= 1368, nxpk= 15, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1006,1007,1006,1007, &end # # 0 AMB 15-3:1369 65 SER HN 4.50 (# 1369:15 Single Ambig) &rst ixpk= 1369, nxpk= 15, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 15, 16, 17, 25, 26, &end # # 0 AMB 15-3:1370 65 SER HN 4.50 (# 1370:15 Single Ambig) &rst ixpk= 1370, nxpk= 15, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1025,1026, 11, 12, &end # # 62 GLN HA 65 SER HN 7.00 (# 1371:15 Preassigned 6.61, 6.72 A) &rst ixpk= 1371, nxpk= 15, iat= 984,1036, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 0 AMB 15-3:1372 65 SER HN 5.50 (# 1372:15 Single Ambig) &rst ixpk= 1372, nxpk= 15, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1049, 23, &end # # 0 AMB 15-3:1373 65 SER HN 5.50 (# 1373:15 Single Ambig) &rst ixpk= 1373, nxpk= 15, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 67, 69, 71, &end # # 4 PHE HD1 66 THR HN 5.50 (# 1374:15 Preassigned 3.45, 3.91 A) &rst ixpk= 1374, nxpk= 15, iat= 65,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 65 SER HG 66 THR HN 5.50 (# 1375:15 Unique 2.33, 3.20 A) &rst ixpk= 1375, nxpk= 15, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 3 ILE HA 66 THR HN 5.50 (# 1376:15 Preassigned 5.56, 5.60 A) &rst ixpk= 1376, nxpk= 15, iat= 40,1047, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1377 66 THR HN 5.50 (# 1377:15 Single Ambig) &rst ixpk= 1377, nxpk= 15, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 965,1023, &end # # 4 PHE HB- 66 THR HN 5.50 (# 1378:15 Preassigned 4.46, 5.52 A) &rst ixpk= 1378, nxpk= 15, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 61, 62, &end # # 4 PHE HB+ 66 THR HN 5.50 (# 1379:15 Preassigned 4.46, 5.52 A) &rst ixpk= 1379, nxpk= 15, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 61, 62, &end # # 0 AMB 15-3:1380 66 THR HN 5.50 (# 1380:15 Single Ambig) &rst ixpk= 1380, nxpk= 15, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1065,1066, 42, &end # # 0 AMB 15-3:1381 66 THR HN 5.50 (# 1381:15 Single Ambig) &rst ixpk= 1381, nxpk= 15, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1065,1066, 97, 98, &end # # 44 ILE HN 68 HIS HN 3.50 (# 1382:15 Preassigned 2.74, 2.97 A) &rst ixpk= 1382, nxpk= 15, iat= 700,1080, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 68 HIS HD2 68 HIS HN 7.00 (# 1383:15 Preassigned 5.47, 5.68 A) &rst ixpk= 1383, nxpk= 15, iat=1093,1080, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 43 LEU HA 68 HIS HN 4.50 (# 1384:15 Preassigned 4.49, 4.56 A) &rst ixpk= 1384, nxpk= 15, iat= 683,1080, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 5 VAL HA 68 HIS HN 5.50 (# 1385:15 Preassigned 4.29, 4.39 A) &rst ixpk= 1385, nxpk= 15, iat= 79,1080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 15-3:1386 68 HIS HN 5.50 (# 1386:15 Single Ambig) &rst ixpk= 1386, nxpk= 15, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 97, 98, 710, 711, &end # # 66 THR QG2 68 HIS HN 5.50 (# 1387:15 Preassigned 5.35, 6.42 A) &rst ixpk= 1387, nxpk= 15, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1053,1054,1055, &end # # 42 ARG HN 72 ARG HN 4.50 (# 1389:15 Unique 1.89, 1.96 A) &rst ixpk= 1389, nxpk= 15, iat= 657,1151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 22 THR HA 23 ILE HN 3.50 (# 1390:15 Preassigned 2.20, 2.22 A) &rst ixpk= 1390, nxpk= 15, iat= 342, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 40 GLN HE2+ 74 ARG HN 7.00 (# 1392:15 Unique 2.49, 4.01 A) &rst ixpk= 1392, nxpk= 15, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1= 635, 636, &end # # 0 AMB 15-3:1393 75 GLY HN 4.50 (# 1393:15 Single Ambig) &rst ixpk= 1393, nxpk= 15, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1198,1199,1179,1180,1155,1156, &end # # 76 GLY HN 75 GLY HN 5.50 (# 1395:15 Preassigned 1.90, 2.40 A) &rst ixpk= 1395, nxpk= 15, iat=1225,1218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 75 GLY HN 76 GLY HN 4.50 (# 1396:15 Preassigned 1.90, 2.40 A) &rst ixpk= 1396, nxpk= 15, iat=1218,1225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 15-3:1397 76 GLY HN 5.50 (# 1397:15 Single Ambig) &rst ixpk= 1397, nxpk= 15, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1204,1205,1204,1205, &end # # 49 GLN HB+ 49 GLN HN 2.80 (# 1483:15 Preassigned 2.07, 2.76 A) &rst ixpk= 1483, nxpk= 15, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr1= 782, 783, &end # # 32 ASP HB+ 33 LYS HN 3.50 (# 1484:15 Preassigned 3.41, 3.56 A) &rst ixpk= 1484, nxpk= 15, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 512, 513, &end # # 108 GLY QA 108 GLY H 3.50 (# 0:25) &rst ixpk= 0, nxpk= 25, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, igr1=1744,1745, &end # # 106 ARG QG 106 ARG QB 4.50 (# 1:25) &rst ixpk= 1, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1711,1712, igr2=1708,1709, &end # # 106 ARG QG 106 ARG QD 3.50 (# 2:25) &rst ixpk= 2, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1711,1712, igr2=1714,1715, &end # # 106 ARG QG 106 ARG HA 4.50 (# 3:25) &rst ixpk= 3, nxpk= 25, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1711,1712, &end # # 106 ARG QG 106 ARG H 5.50 (# 4:25) &rst ixpk= 4, nxpk= 25, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1711,1712, &end # # 106 ARG QG 105 LYS QG 5.50 (# 5:25) &rst ixpk= 5, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1711,1712, igr2=1689,1690, &end # # 106 ARG QD 106 ARG QB 4.50 (# 6:25) &rst ixpk= 6, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1714,1715, igr2=1708,1709, &end # # 106 ARG QD 106 ARG QG 4.50 (# 7:25) &rst ixpk= 7, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1714,1715, igr2=1711,1712, &end # # 106 ARG QD 106 ARG QG 4.50 (# 8:25) &rst ixpk= 8, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1714,1715, igr2=1711,1712, &end # # 106 ARG QB 106 ARG QD 3.50 (# 9:25) &rst ixpk= 9, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1708,1709, igr2=1714,1715, &end # # 106 ARG QB 106 ARG HA 3.50 (# 10:25) &rst ixpk= 10, nxpk= 25, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1708,1709, &end # # 106 ARG QB 106 ARG H 3.50 (# 11:25) &rst ixpk= 11, nxpk= 25, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1708,1709, &end # # 106 ARG QB 103 GLU HA 4.50 (# 12:25) &rst ixpk= 12, nxpk= 25, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1708,1709, &end # # 106 ARG HA 107 THR H 4.50 (# 13:25) &rst ixpk= 13, nxpk= 25, iat=1706,1728, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 106 ARG HA 106 ARG H 4.50 (# 14:25) &rst ixpk= 14, nxpk= 25, iat=1706,1704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 106 ARG HA 104 TRP HA 7.00 (# 15:25) &rst ixpk= 15, nxpk= 25, iat=1706,1660, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 106 ARG HA 106 ARG QD 4.50 (# 17:25) &rst ixpk= 17, nxpk= 25, iat=1706, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1714,1715, &end # # 106 ARG HA 106 ARG QB 3.50 (# 18:25) &rst ixpk= 18, nxpk= 25, iat=1706, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1708,1709, &end # # 106 ARG HA 106 ARG QG 4.50 (# 19:25) &rst ixpk= 19, nxpk= 25, iat=1706, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1711,1712, &end # # 106 ARG HA 106 ARG QG 4.50 (# 20:25) &rst ixpk= 20, nxpk= 25, iat=1706, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1711,1712, &end # # 105 LYS QG 105 LYS H 5.50 (# 21:25) &rst ixpk= 21, nxpk= 25, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1689,1690, &end # # 105 LYS QG 105 LYS HA 4.50 (# 22:25) &rst ixpk= 22, nxpk= 25, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1689,1690, &end # # 105 LYS QG 105 LYS QE 4.50 (# 23:25) &rst ixpk= 23, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1689,1690, igr2=1695,1696, &end # # 105 LYS QG 105 LYS QB 3.50 (# 24:25) &rst ixpk= 24, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1689,1690, igr2=1686,1687, &end # # 105 LYS QG 105 LYS QD 3.50 (# 25:25) &rst ixpk= 25, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1689,1690, igr2=1692,1693, &end # # 105 LYS QE 105 LYS QD 3.50 (# 26:25) &rst ixpk= 26, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1695,1696, igr2=1692,1693, &end # # 105 LYS QE 105 LYS QG 4.50 (# 27:25) &rst ixpk= 27, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1695,1696, igr2=1689,1690, &end # # 105 LYS QE 105 LYS QB 5.50 (# 28:25) &rst ixpk= 28, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1695,1696, igr2=1686,1687, &end # # 105 LYS QD 105 LYS QG 2.80 (# 30:25) &rst ixpk= 30, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1692,1693, igr2=1689,1690, &end # # 105 LYS QD 105 LYS QB 3.50 (# 31:25) &rst ixpk= 31, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1692,1693, igr2=1686,1687, &end # # 105 LYS QD 105 LYS QE 3.50 (# 32:25) &rst ixpk= 32, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1692,1693, igr2=1695,1696, &end # # 105 LYS QD 103 GLU HA 7.00 (# 33:25) &rst ixpk= 33, nxpk= 25, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1=1692,1693, &end # # 105 LYS QD 105 LYS HA 4.50 (# 34:25) &rst ixpk= 34, nxpk= 25, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1692,1693, &end # # 105 LYS QD 105 LYS H 5.50 (# 35:25) &rst ixpk= 35, nxpk= 25, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1692,1693, &end # # 105 LYS QB 105 LYS QD 3.50 (# 38:25) &rst ixpk= 38, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1686,1687, igr2=1692,1693, &end # # 105 LYS QB 105 LYS QG 3.50 (# 39:25) &rst ixpk= 39, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1686,1687, igr2=1689,1690, &end # # 86 PRO QB 86 PRO HA 3.50 (# 40:25) &rst ixpk= 40, nxpk= 25, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1371,1372, &end # # 105 LYS QB 102 ALA HA 4.50 (# 41:25) &rst ixpk= 41, nxpk= 25, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1686,1687, &end # # 105 LYS QB 105 LYS HA 3.50 (# 42:25) &rst ixpk= 42, nxpk= 25, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1686,1687, &end # # 105 LYS QB 105 LYS H 3.50 (# 43:25) &rst ixpk= 43, nxpk= 25, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1686,1687, &end # # 105 LYS HA 105 LYS H 3.50 (# 44:25) &rst ixpk= 44, nxpk= 25, iat=1684,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 105 LYS HA 104 TRP HA 5.50 (# 45:25) &rst ixpk= 45, nxpk= 25, iat=1684,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 105 LYS HA 105 LYS QB 3.50 (# 46:25) &rst ixpk= 46, nxpk= 25, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1686,1687, &end # # 105 LYS HA 105 LYS QD 4.50 (# 47:25) &rst ixpk= 47, nxpk= 25, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1692,1693, &end # # 105 LYS HA 105 LYS QG 4.50 (# 48:25) &rst ixpk= 48, nxpk= 25, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1689,1690, &end # # 79 MET HA 80 PHE H 3.50 (# 49:25) &rst ixpk= 49, nxpk= 25, iat=1261,1276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 79 MET HA 79 MET QB 3.50 (# 54:25) &rst ixpk= 54, nxpk= 25, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1263,1264, &end # # 81 PRO QB 81 PRO HA 4.50 (# 55:25) &rst ixpk= 55, nxpk= 25, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1303,1304, &end # # 81 PRO QB 81 PRO QG 4.50 (# 56:25) &rst ixpk= 56, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1303,1304, igr2=1300,1301, &end # # 81 PRO QD 80 PHE HA 4.50 (# 57:25) &rst ixpk= 57, nxpk= 25, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1297,1298, &end # # 81 PRO QG 81 PRO QB 4.50 (# 58:25) &rst ixpk= 58, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1300,1301, igr2=1303,1304, &end # # 82 SER HA 82 SER QB 3.50 (# 60:25) &rst ixpk= 60, nxpk= 25, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1314,1315, &end # # 82 SER HA 81 PRO HA 5.50 (# 61:25) &rst ixpk= 61, nxpk= 25, iat=1312,1306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 83 ASP HA 83 ASP H 3.50 (# 62:25) &rst ixpk= 62, nxpk= 25, iat=1323,1321, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 83 ASP HA 84 ILE H 4.50 (# 63:25) &rst ixpk= 63, nxpk= 25, iat=1323,1333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 83 ASP HA 83 ASP QB 3.50 (# 64:25) &rst ixpk= 64, nxpk= 25, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1325,1326, &end # # 83 ASP HA 83 ASP QB 3.50 (# 65:25) &rst ixpk= 65, nxpk= 25, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1325,1326, &end # # 83 ASP QB 81 PRO QG 4.50 (# 66:25) &rst ixpk= 66, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1325,1326, igr2=1300,1301, &end # # 83 ASP QB 83 ASP HA 3.50 (# 67:25) &rst ixpk= 67, nxpk= 25, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1325,1326, &end # # 83 ASP QB 83 ASP H 4.50 (# 68:25) &rst ixpk= 68, nxpk= 25, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1325,1326, &end # # 83 ASP QB 81 PRO QG 5.50 (# 69:25) &rst ixpk= 69, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1325,1326, igr2=1300,1301, &end # # 83 ASP QB 83 ASP HA 3.50 (# 70:25) &rst ixpk= 70, nxpk= 25, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1325,1326, &end # # 83 ASP QB 83 ASP H 4.50 (# 71:25) &rst ixpk= 71, nxpk= 25, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1325,1326, &end # # 84 ILE HA 83 ASP HA 4.50 (# 72:25) &rst ixpk= 72, nxpk= 25, iat=1335,1323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 84 ILE HA 84 ILE H 4.50 (# 73:25) &rst ixpk= 73, nxpk= 25, iat=1335,1333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 84 ILE HA 85 ASP H 4.50 (# 74:25) &rst ixpk= 74, nxpk= 25, iat=1335,1352, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 84 ILE HA 84 ILE QG2 3.50 (# 75:25) &rst ixpk= 75, nxpk= 25, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1339,1340,1341, &end # # 84 ILE HB 84 ILE QG1 4.50 (# 76:25) &rst ixpk= 76, nxpk= 25, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1343,1344, &end # # 84 ILE HB 84 ILE QG2 4.50 (# 77:25) &rst ixpk= 77, nxpk= 25, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1339,1340,1341, &end # # 84 ILE HB 84 ILE H 4.50 (# 78:25) &rst ixpk= 78, nxpk= 25, iat=1337,1333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 87 GLN HA 87 GLN QB 2.80 (# 79:25) &rst ixpk= 79, nxpk= 25, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, igr2=1382,1383, &end # # 87 GLN HA 87 GLN QG 4.50 (# 80:25) &rst ixpk= 80, nxpk= 25, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1385,1386, &end # # 87 GLN HA 88 VAL H 4.50 (# 81:25) &rst ixpk= 81, nxpk= 25, iat=1380,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 87 GLN HA 87 GLN H 4.50 (# 82:25) &rst ixpk= 82, nxpk= 25, iat=1380,1378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 103 GLU HA 103 GLU QG 3.50 (# 83:25) &rst ixpk= 83, nxpk= 25, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1650,1651, &end # # 103 GLU HA 103 GLU QB 3.50 (# 84:25) &rst ixpk= 84, nxpk= 25, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1647,1648, &end # # 103 GLU HA 103 GLU H 4.50 (# 85:25) &rst ixpk= 85, nxpk= 25, iat=1645,1643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 94 GLU HA 94 GLU QG 4.50 (# 86:25) &rst ixpk= 86, nxpk= 25, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1507,1508, &end # # 94 GLU HA 94 GLU QB 3.50 (# 87:25) &rst ixpk= 87, nxpk= 25, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1504,1505, &end # # 94 GLU HA 93 PRO QG 5.50 (# 88:25) &rst ixpk= 88, nxpk= 25, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1490,1491, &end # # 94 GLU HA 98 LYS H 5.50 (# 89:25) &rst ixpk= 89, nxpk= 25, iat=1502,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 94 GLU HA 97 GLN QE2 5.50 (# 90:25) &rst ixpk= 90, nxpk= 25, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1553,1554, &end # # 94 GLU HA 96 VAL H 5.50 (# 91:25) &rst ixpk= 91, nxpk= 25, iat=1502,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 93 PRO QB 93 PRO QG 3.50 (# 93:25) &rst ixpk= 93, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1493,1494, igr2=1490,1491, &end # # 93 PRO QB 96 VAL QQG 4.50 (# 95:25) &rst ixpk= 95, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1493,1494, igr2=1531,1532,1533,1535,1536,1537, &end # # 92 LEU HG 92 LEU QQD 3.50 (# 96:25) &rst ixpk= 96, nxpk= 25, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1476,1477,1478,1480,1481,1482, &end # # 92 LEU HG 92 LEU QB 3.50 (# 97:25) &rst ixpk= 97, nxpk= 25, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1471,1472, &end # # 92 LEU HG 88 VAL QQG 5.50 (# 98:25) &rst ixpk= 98, nxpk= 25, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1401,1402,1403,1405,1406,1407, &end # # 92 LEU HG 92 LEU QB 4.50 (# 99:25) &rst ixpk= 99, nxpk= 25, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1471,1472, &end # # 92 LEU HG 93 PRO QG 4.50 (# 100:25) &rst ixpk= 100, nxpk= 25, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1490,1491, &end # # 92 LEU HG 89 PHE HA 4.50 (# 101:25) &rst ixpk= 101, nxpk= 25, iat=1474,1413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 92 LEU HG 92 LEU HA 5.50 (# 102:25) &rst ixpk= 102, nxpk= 25, iat=1474,1469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 92 LEU HG 92 LEU H 4.50 (# 103:25) &rst ixpk= 103, nxpk= 25, iat=1474,1467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 92 LEU QQD 89 PHE QD 5.50 (# 104:25) &rst ixpk= 104, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1476,1477,1478,1480,1481,1482, igr2=1419,1427, &end # # 92 LEU HG 96 VAL H 7.00 (# 105:25) &rst ixpk= 105, nxpk= 25, iat=1474,1525, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 92 LEU HA 93 PRO QD 4.50 (# 106:25) &rst ixpk= 106, nxpk= 25, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1487,1488, &end # # 92 LEU HA 92 LEU H 5.50 (# 107:25) &rst ixpk= 107, nxpk= 25, iat=1469,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 92 LEU HA 93 PRO QD 4.50 (# 108:25) &rst ixpk= 108, nxpk= 25, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1487,1488, &end # # 92 LEU HA 93 PRO QG 5.50 (# 109:25) &rst ixpk= 109, nxpk= 25, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1490,1491, &end # # 92 LEU HA 92 LEU QB 5.50 (# 110:25) &rst ixpk= 110, nxpk= 25, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1471,1472, &end # # 81 PRO QB 81 PRO QG 4.50 (# 111:25) &rst ixpk= 111, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1303,1304, igr2=1300,1301, &end # # 81 PRO QB 81 PRO QG 4.50 (# 112:25) &rst ixpk= 112, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1303,1304, igr2=1300,1301, &end # # 81 PRO QB 83 ASP QB 5.50 (# 113:25) &rst ixpk= 113, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1303,1304, igr2=1325,1326, &end # # 82 SER HA 84 ILE H 5.50 (# 114:25) &rst ixpk= 114, nxpk= 25, iat=1312,1333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 83 ASP HA 81 PRO QG 5.50 (# 115:25) &rst ixpk= 115, nxpk= 25, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1300,1301, &end # # 84 ILE HB 83 ASP QB 5.50 (# 116:25) &rst ixpk= 116, nxpk= 25, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1325,1326, &end # # 84 ILE HB 84 ILE HA 5.50 (# 117:25) &rst ixpk= 117, nxpk= 25, iat=1337,1335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 84 ILE HB 84 ILE QG1 4.50 (# 118:25) &rst ixpk= 118, nxpk= 25, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1343,1344, &end # # 82 SER HA 82 SER H 3.50 (# 119:25) &rst ixpk= 119, nxpk= 25, iat=1312,1310, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 108 GLY QA 106 ARG QB 7.00 (# 120:25) &rst ixpk= 120, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32, igr1=1744,1745, igr2=1708,1709, &end # # 107 THR HA 107 THR QG2 3.50 (# 121:25) &rst ixpk= 121, nxpk= 25, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1734,1735,1736, &end # # 88 VAL HA 88 VAL QQG 3.50 (# 122:25) &rst ixpk= 122, nxpk= 25, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1401,1402,1403,1405,1406,1407, &end # # 88 VAL HB 88 VAL HA 3.50 (# 123:25) &rst ixpk= 123, nxpk= 25, iat=1399,1397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 88 VAL HB 8 LEU HA 5.50 (# 124:25) &rst ixpk= 124, nxpk= 25, iat=1399, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 88 VAL HB 88 VAL H 4.50 (# 125:25) &rst ixpk= 125, nxpk= 25, iat=1399,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 88 VAL HB 89 PHE H 5.50 (# 126:25) &rst ixpk= 126, nxpk= 25, iat=1399,1411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 88 VAL HB 88 VAL QQG 3.50 (# 128:25) &rst ixpk= 128, nxpk= 25, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1401,1402,1403,1405,1406,1407, &end # # 83 ASP QB 80 PHE H 5.50 (# 129:25) &rst ixpk= 129, nxpk= 25, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1325,1326, &end # # 89 PHE QB 89 PHE H 5.50 (# 130:25) &rst ixpk= 130, nxpk= 25, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1415,1416, &end # # 83 ASP QB 81 PRO QG 4.50 (# 132:25) &rst ixpk= 132, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1325,1326, igr2=1300,1301, &end # # 89 PHE QB 84 ILE HB 5.50 (# 133:25) &rst ixpk= 133, nxpk= 25, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1415,1416, &end # # 89 PHE QB 84 ILE QG2 7.00 (# 134:25) &rst ixpk= 134, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr1=1415,1416, igr2=1339,1340,1341, &end # # 80 PHE QB 84 ILE HB 4.50 (# 135:25) &rst ixpk= 135, nxpk= 25, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1280,1281, &end # # 80 PHE QB 84 ILE QD1 4.50 (# 136:25) &rst ixpk= 136, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1280,1281, igr2=1346,1347,1348, &end # # 90 TYR HA 90 TYR H 5.50 (# 141:25) &rst ixpk= 141, nxpk= 25, iat=1433,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 90 TYR HA 91 GLU H 5.50 (# 142:25) &rst ixpk= 142, nxpk= 25, iat=1433,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 90 TYR HA 90 TYR QD 3.50 (# 143:25) &rst ixpk= 143, nxpk= 25, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1439,1448, &end # # 90 TYR HA 92 LEU H 4.50 (# 144:25) &rst ixpk= 144, nxpk= 25, iat=1433,1467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 90 TYR HA 90 TYR QE 5.50 (# 145:25) &rst ixpk= 145, nxpk= 25, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1441,1446, &end # # 90 TYR HA 97 GLN QE2 5.50 (# 146:25) &rst ixpk= 146, nxpk= 25, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1553,1554, &end # # 90 TYR HA 90 TYR QB 4.50 (# 148:25) &rst ixpk= 148, nxpk= 25, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1435,1436, &end # # 90 TYR HA 90 TYR QB 4.50 (# 149:25) &rst ixpk= 149, nxpk= 25, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1435,1436, &end # # 90 TYR QB 90 TYR QD 5.50 (# 150:25) &rst ixpk= 150, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1435,1436, igr2=1439,1448, &end # # 90 TYR QB 90 TYR H 4.50 (# 151:25) &rst ixpk= 151, nxpk= 25, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1435,1436, &end # # 90 TYR QB 90 TYR HA 4.50 (# 152:25) &rst ixpk= 152, nxpk= 25, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1435,1436, &end # # 91 GLU HA 92 LEU H 5.50 (# 153:25) &rst ixpk= 153, nxpk= 25, iat=1454,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 91 GLU HA 91 GLU H 4.50 (# 154:25) &rst ixpk= 154, nxpk= 25, iat=1454,1452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 91 GLU HA 91 GLU QG 4.50 (# 155:25) &rst ixpk= 155, nxpk= 25, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1459,1460, &end # # 91 GLU HA 91 GLU QG 3.50 (# 156:25) &rst ixpk= 156, nxpk= 25, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1459,1460, &end # # 91 GLU HA 91 GLU QB 4.50 (# 157:25) &rst ixpk= 157, nxpk= 25, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1456,1457, &end # # 91 GLU HA 91 GLU QB 3.50 (# 158:25) &rst ixpk= 158, nxpk= 25, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1456,1457, &end # # 93 PRO QD 92 LEU HA 4.50 (# 159:25) &rst ixpk= 159, nxpk= 25, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1487,1488, &end # # 93 PRO QD 93 PRO QG 4.50 (# 161:25) &rst ixpk= 161, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1487,1488, igr2=1490,1491, &end # # 93 PRO QD 92 LEU QB 4.50 (# 162:25) &rst ixpk= 162, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1487,1488, igr2=1471,1472, &end # # 93 PRO QD 92 LEU QQD 4.50 (# 163:25) &rst ixpk= 163, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1487,1488, igr2=1476,1477,1478,1480,1481,1482, &end # # 93 PRO QD 93 PRO QB 3.50 (# 164:25) &rst ixpk= 164, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1487,1488, igr2=1493,1494, &end # # 93 PRO QG 93 PRO QG 2.80 (# 165:25) #This appears to be self-referential: ignoring # # 93 PRO QG 96 VAL QQG 4.50 (# 166:25) &rst ixpk= 166, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1490,1491, igr2=1531,1532,1533,1535,1536,1537, &end # # 93 PRO QG 92 LEU QQD 4.50 (# 167:25) &rst ixpk= 167, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1490,1491, igr2=1476,1477,1478,1480,1481,1482, &end # # 93 PRO QG 93 PRO QB 3.50 (# 168:25) &rst ixpk= 168, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1490,1491, igr2=1493,1494, &end # # 93 PRO QG 93 PRO QB 3.50 (# 169:25) &rst ixpk= 169, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1490,1491, igr2=1493,1494, &end # # 93 PRO QG 93 PRO QD 4.50 (# 170:25) &rst ixpk= 170, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1490,1491, igr2=1487,1488, &end # # 93 PRO QG 97 GLN HA 5.50 (# 171:25) &rst ixpk= 171, nxpk= 25, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1490,1491, &end # # 93 PRO QG 93 PRO QD 5.50 (# 172:25) &rst ixpk= 172, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1490,1491, igr2=1487,1488, &end # # 93 PRO QG 92 LEU QB 5.50 (# 173:25) &rst ixpk= 173, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1490,1491, igr2=1471,1472, &end # # 93 PRO QG 92 LEU QQD 4.50 (# 174:25) &rst ixpk= 174, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1490,1491, igr2=1476,1477,1478,1480,1481,1482, &end # # 81 PRO HA 82 SER H 4.50 (# 175:25) &rst ixpk= 175, nxpk= 25, iat=1306,1310, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 SER H 81 PRO HA 4.50 (# 175:25) &rst ixpk= 175, nxpk= 25, iat=1310,1306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 SER QB 82 SER HA 3.50 (# 176:25) &rst ixpk= 176, nxpk= 25, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1314,1315, &end # # 82 SER QB 82 SER H 4.50 (# 177:25) &rst ixpk= 177, nxpk= 25, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1314,1315, &end # # 83 ASP QB 79 MET HA 7.00 (# 181:25) &rst ixpk= 181, nxpk= 25, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1=1325,1326, &end # # 79 MET QB 79 MET HA 4.50 (# 182:25) &rst ixpk= 182, nxpk= 25, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1263,1264, &end # # 79 MET QB 79 MET HA 4.50 (# 184:25) &rst ixpk= 184, nxpk= 25, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1263,1264, &end # # 81 PRO QB 81 PRO HA 4.50 (# 185:25) &rst ixpk= 185, nxpk= 25, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1303,1304, &end # # 81 PRO QB 81 PRO QG 4.50 (# 186:25) &rst ixpk= 186, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1303,1304, igr2=1300,1301, &end # # 81 PRO QB 82 SER H 5.50 (# 187:25) &rst ixpk= 187, nxpk= 25, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1303,1304, &end # # 81 PRO QD 83 ASP QB 5.50 (# 188:25) &rst ixpk= 188, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1297,1298, igr2=1325,1326, &end # # 81 PRO QD 81 PRO QG 5.50 (# 189:25) &rst ixpk= 189, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1297,1298, igr2=1300,1301, &end # # 81 PRO QD 81 PRO QG 4.50 (# 190:25) &rst ixpk= 190, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1297,1298, igr2=1300,1301, &end # # 81 PRO QD 83 ASP QB 5.50 (# 191:25) &rst ixpk= 191, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1297,1298, igr2=1325,1326, &end # # 81 PRO QD 80 PHE HA 4.50 (# 192:25) &rst ixpk= 192, nxpk= 25, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1297,1298, &end # # 81 PRO QD 81 PRO QG 5.50 (# 194:25) &rst ixpk= 194, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1297,1298, igr2=1300,1301, &end # # 81 PRO QD 81 PRO QG 4.50 (# 195:25) &rst ixpk= 195, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1297,1298, igr2=1300,1301, &end # # 81 PRO QD 84 ILE QG2 5.50 (# 196:25) &rst ixpk= 196, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1297,1298, igr2=1339,1340,1341, &end # # 81 PRO QG 84 ILE QG2 5.50 (# 197:25) &rst ixpk= 197, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1300,1301, igr2=1339,1340,1341, &end # # 81 PRO QG 81 PRO QB 3.50 (# 198:25) &rst ixpk= 198, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1300,1301, igr2=1303,1304, &end # # 81 PRO QG 81 PRO QD 4.50 (# 199:25) &rst ixpk= 199, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1300,1301, igr2=1297,1298, &end # # 100 LEU QQD 100 LEU HA 3.50 (# 200:25) &rst ixpk= 200, nxpk= 25, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1604,1605,1606,1608,1609,1610, &end # # 81 PRO QG 81 PRO HA 7.00 (# 201:25) &rst ixpk= 201, nxpk= 25, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1=1300,1301, &end # # 81 PRO QG 83 ASP HA 5.50 (# 202:25) &rst ixpk= 202, nxpk= 25, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1300,1301, &end # # 81 PRO QG 84 ILE QG2 5.50 (# 204:25) &rst ixpk= 204, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1300,1301, igr2=1339,1340,1341, &end # # 81 PRO QG 81 PRO QD 4.50 (# 205:25) &rst ixpk= 205, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1300,1301, igr2=1297,1298, &end # # 81 PRO QG 81 PRO HA 5.50 (# 206:25) &rst ixpk= 206, nxpk= 25, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1300,1301, &end # # 81 PRO QG 83 ASP HA 5.50 (# 207:25) &rst ixpk= 207, nxpk= 25, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1300,1301, &end # # 82 SER HA 83 ASP HA 5.50 (# 208:25) &rst ixpk= 208, nxpk= 25, iat=1312,1323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 84 ILE QG1 81 PRO QG 5.50 (# 209:25) &rst ixpk= 209, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1343,1344, igr2=1300,1301, &end # # 84 ILE QG1 84 ILE QG2 3.50 (# 210:25) &rst ixpk= 210, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1343,1344, igr2=1339,1340,1341, &end # # 84 ILE QG1 84 ILE HB 4.50 (# 211:25) &rst ixpk= 211, nxpk= 25, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1343,1344, &end # # 84 ILE QG1 84 ILE H 5.50 (# 212:25) &rst ixpk= 212, nxpk= 25, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1343,1344, &end # # 88 VAL HA 88 VAL HB 4.50 (# 213:25) &rst ixpk= 213, nxpk= 25, iat=1397,1399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 86 PRO HA 86 PRO QB 3.50 (# 214:25) &rst ixpk= 214, nxpk= 25, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1371,1372, &end # # 86 PRO QB 87 GLN H 5.50 (# 215:25) &rst ixpk= 215, nxpk= 25, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1371,1372, &end # # 86 PRO QG 86 PRO QD 4.50 (# 216:25) &rst ixpk= 216, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1368,1369, igr2=1365,1366, &end # # 86 PRO QG 86 PRO QD 4.50 (# 217:25) &rst ixpk= 217, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1368,1369, igr2=1365,1366, &end # # 86 PRO QG 85 ASP HA 5.50 (# 218:25) &rst ixpk= 218, nxpk= 25, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1368,1369, &end # # 86 PRO QG 87 GLN H 4.50 (# 219:25) &rst ixpk= 219, nxpk= 25, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1368,1369, &end # # 87 GLN HA 85 ASP QB 7.00 (# 220:25) &rst ixpk= 220, nxpk= 25, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1356,1357, &end # # 87 GLN QB 87 GLN HA 4.50 (# 221:25) &rst ixpk= 221, nxpk= 25, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1382,1383, &end # # 87 GLN QB 87 GLN QG 4.50 (# 222:25) &rst ixpk= 222, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1382,1383, igr2=1385,1386, &end # # 87 GLN QB 87 GLN QG 3.50 (# 223:25) &rst ixpk= 223, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1382,1383, igr2=1385,1386, &end # # 87 GLN QB 88 VAL QQG 5.50 (# 224:25) &rst ixpk= 224, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1382,1383, igr2=1401,1402,1403,1405,1406,1407, &end # # 87 GLN QB 87 GLN QG 4.50 (# 225:25) &rst ixpk= 225, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1382,1383, igr2=1385,1386, &end # # 87 GLN QB 87 GLN QG 3.50 (# 226:25) &rst ixpk= 226, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1382,1383, igr2=1385,1386, &end # # 87 GLN QB 87 GLN HA 4.50 (# 227:25) &rst ixpk= 227, nxpk= 25, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1382,1383, &end # # 87 GLN QB 88 VAL H 4.50 (# 228:25) &rst ixpk= 228, nxpk= 25, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1382,1383, &end # # 87 GLN QB 88 VAL H 4.50 (# 229:25) &rst ixpk= 229, nxpk= 25, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1382,1383, &end # # 87 GLN QB 87 GLN H 4.50 (# 230:25) &rst ixpk= 230, nxpk= 25, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1382,1383, &end # # 87 GLN QB 87 GLN H 3.50 (# 231:25) &rst ixpk= 231, nxpk= 25, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1382,1383, &end # # 87 GLN QG 87 GLN QB 4.50 (# 232:25) &rst ixpk= 232, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1385,1386, igr2=1382,1383, &end # # 87 GLN QG 87 GLN HA 4.50 (# 233:25) &rst ixpk= 233, nxpk= 25, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1385,1386, &end # # 87 GLN QG 90 TYR H 5.50 (# 234:25) &rst ixpk= 234, nxpk= 25, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1385,1386, &end # # 87 GLN QG 87 GLN H 4.50 (# 235:25) &rst ixpk= 235, nxpk= 25, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1385,1386, &end # # 87 GLN QG 87 GLN QB 3.50 (# 236:25) &rst ixpk= 236, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1385,1386, igr2=1382,1383, &end # # 87 GLN QG 86 PRO QB 5.50 (# 237:25) &rst ixpk= 237, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1385,1386, igr2=1371,1372, &end # # 87 GLN QG 88 VAL QQG 5.50 (# 238:25) &rst ixpk= 238, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1385,1386, igr2=1401,1402,1403,1405,1406,1407, &end # # 87 GLN QG 86 PRO QD 7.00 (# 239:25) &rst ixpk= 239, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32, igr1=1385,1386, igr2=1365,1366, &end # # 87 GLN QG 87 GLN HA 4.50 (# 240:25) &rst ixpk= 240, nxpk= 25, iat= -1,1380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1385,1386, &end # # 87 GLN QG 88 VAL H 5.50 (# 241:25) &rst ixpk= 241, nxpk= 25, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1385,1386, &end # # 87 GLN QG 90 TYR H 5.50 (# 242:25) &rst ixpk= 242, nxpk= 25, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1385,1386, &end # # 87 GLN QG 87 GLN H 4.50 (# 243:25) &rst ixpk= 243, nxpk= 25, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1385,1386, &end # # 89 PHE HA 88 VAL QQG 4.50 (# 244:25) &rst ixpk= 244, nxpk= 25, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1401,1402,1403,1405,1406,1407, &end # # 89 PHE HA 92 LEU HG 4.50 (# 245:25) &rst ixpk= 245, nxpk= 25, iat=1413,1474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 89 PHE HA 89 PHE QD 5.50 (# 246:25) &rst ixpk= 246, nxpk= 25, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1419,1427, &end # # 90 TYR QB 90 TYR HA 4.50 (# 247:25) &rst ixpk= 247, nxpk= 25, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1435,1436, &end # # 90 TYR QB 90 TYR QD 5.50 (# 248:25) &rst ixpk= 248, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1435,1436, igr2=1439,1448, &end # # 90 TYR QB 90 TYR H 4.50 (# 249:25) &rst ixpk= 249, nxpk= 25, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1435,1436, &end # # 91 GLU QB 91 GLU QG 4.50 (# 250:25) &rst ixpk= 250, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1456,1457, igr2=1459,1460, &end # # 91 GLU QB 91 GLU HA 4.50 (# 251:25) &rst ixpk= 251, nxpk= 25, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1456,1457, &end # # 91 GLU QB 91 GLU H 4.50 (# 252:25) &rst ixpk= 252, nxpk= 25, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1456,1457, &end # # 91 GLU QG 91 GLU HA 4.50 (# 253:25) &rst ixpk= 253, nxpk= 25, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1459,1460, &end # # 91 GLU QG 91 GLU H 4.50 (# 254:25) &rst ixpk= 254, nxpk= 25, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1459,1460, &end # # 91 GLU QG 91 GLU QB 4.50 (# 255:25) &rst ixpk= 255, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1459,1460, igr2=1456,1457, &end # # 91 GLU QG 88 VAL HA 7.00 (# 256:25) &rst ixpk= 256, nxpk= 25, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1=1459,1460, &end # # 91 GLU QG 91 GLU HA 4.50 (# 257:25) &rst ixpk= 257, nxpk= 25, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1459,1460, &end # # 91 GLU QG 91 GLU H 4.50 (# 258:25) &rst ixpk= 258, nxpk= 25, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1459,1460, &end # # 92 LEU HA 92 LEU QB 4.50 (# 259:25) &rst ixpk= 259, nxpk= 25, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1471,1472, &end # # 92 LEU HA 92 LEU QQD 4.50 (# 260:25) &rst ixpk= 260, nxpk= 25, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1476,1477,1478,1480,1481,1482, &end # # 92 LEU HA 92 LEU QQD 4.50 (# 261:25) &rst ixpk= 261, nxpk= 25, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1476,1477,1478,1480,1481,1482, &end # # 92 LEU QB 92 LEU H 5.50 (# 262:25) &rst ixpk= 262, nxpk= 25, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1471,1472, &end # # 92 LEU QB 92 LEU HA 5.50 (# 263:25) &rst ixpk= 263, nxpk= 25, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1471,1472, &end # # 92 LEU QB 93 PRO QG 4.50 (# 264:25) &rst ixpk= 264, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1471,1472, igr2=1490,1491, &end # # 92 LEU QB 92 LEU QQD 4.50 (# 265:25) &rst ixpk= 265, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1471,1472, igr2=1476,1477,1478,1480,1481,1482, &end # # 92 LEU QB 92 LEU QQD 5.50 (# 266:25) &rst ixpk= 266, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1471,1472, igr2=1476,1477,1478,1480,1481,1482, &end # # 92 LEU QB 92 LEU QQD 4.50 (# 267:25) &rst ixpk= 267, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1471,1472, igr2=1476,1477,1478,1480,1481,1482, &end # # 92 LEU QB 92 LEU QQD 5.50 (# 268:25) &rst ixpk= 268, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1471,1472, igr2=1476,1477,1478,1480,1481,1482, &end # # 92 LEU QB 93 PRO QG 4.50 (# 269:25) &rst ixpk= 269, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1471,1472, igr2=1490,1491, &end # # 92 LEU QB 92 LEU HA 5.50 (# 270:25) &rst ixpk= 270, nxpk= 25, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1471,1472, &end # # 92 LEU QB 92 LEU H 5.50 (# 271:25) &rst ixpk= 271, nxpk= 25, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1471,1472, &end # # 92 LEU QQD 93 PRO QB 5.50 (# 273:25) &rst ixpk= 273, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1476,1477,1478,1480,1481,1482, igr2=1493,1494, &end # # 92 LEU HG 89 PHE H 7.00 (# 276:25) &rst ixpk= 276, nxpk= 25, iat=1474,1411, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 92 LEU HG 90 TYR HA 7.00 (# 277:25) &rst ixpk= 277, nxpk= 25, iat=1474,1433, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 92 LEU HG 93 PRO QD 5.50 (# 279:25) &rst ixpk= 279, nxpk= 25, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1487,1488, &end # # 92 LEU HG 95 ALA QB 7.00 (# 281:25) &rst ixpk= 281, nxpk= 25, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2=1519,1520,1521, &end # # 93 PRO HA 93 PRO QB 3.50 (# 282:25) &rst ixpk= 282, nxpk= 25, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1493,1494, &end # # 93 PRO HA 93 PRO QB 4.50 (# 283:25) &rst ixpk= 283, nxpk= 25, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1493,1494, &end # # 93 PRO QB 97 GLN QE2 5.50 (# 285:25) &rst ixpk= 285, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1493,1494, igr2=1553,1554, &end # # 93 PRO QB 93 PRO HA 4.50 (# 286:25) &rst ixpk= 286, nxpk= 25, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1493,1494, &end # # 93 PRO QB 92 LEU QQD 5.50 (# 287:25) &rst ixpk= 287, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1493,1494, igr2=1476,1477,1478,1480,1481,1482, &end # # 93 PRO QG 93 PRO QD 5.50 (# 289:25) &rst ixpk= 289, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1490,1491, igr2=1487,1488, &end # # 93 PRO QG 97 GLN HA 5.50 (# 290:25) &rst ixpk= 290, nxpk= 25, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1490,1491, &end # # 93 PRO QG 93 PRO QD 5.50 (# 291:25) &rst ixpk= 291, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1490,1491, igr2=1487,1488, &end # # 108 GLY QA 103 GLU HA 7.00 (# 293:25) &rst ixpk= 293, nxpk= 25, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1=1744,1745, &end # # 108 GLY QA 105 LYS HA 4.50 (# 294:25) &rst ixpk= 294, nxpk= 25, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1744,1745, &end # # 107 THR QG2 106 ARG QB 4.50 (# 299:25) &rst ixpk= 299, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1734,1735,1736, igr2=1708,1709, &end # # 107 THR QG2 103 GLU QG 5.50 (# 300:25) &rst ixpk= 300, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1734,1735,1736, igr2=1650,1651, &end # # 107 THR QG2 107 THR HB 3.50 (# 301:25) &rst ixpk= 301, nxpk= 25, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1734,1735,1736, &end # # 107 THR QG2 107 THR H 4.50 (# 302:25) &rst ixpk= 302, nxpk= 25, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1734,1735,1736, &end # # 107 THR HB 107 THR QG2 3.50 (# 303:25) &rst ixpk= 303, nxpk= 25, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1734,1735,1736, &end # # 107 THR HB 104 TRP HA 5.50 (# 304:25) &rst ixpk= 304, nxpk= 25, iat=1732,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 107 THR HB 108 GLY H 5.50 (# 305:25) &rst ixpk= 305, nxpk= 25, iat=1732,1742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 106 ARG QG 106 ARG QB 4.50 (# 306:25) &rst ixpk= 306, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1711,1712, igr2=1708,1709, &end # # 106 ARG QG 106 ARG QD 3.50 (# 307:25) &rst ixpk= 307, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1711,1712, igr2=1714,1715, &end # # 106 ARG QG 105 LYS QG 4.50 (# 308:25) &rst ixpk= 308, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1711,1712, igr2=1689,1690, &end # # 106 ARG QG 106 ARG HA 4.50 (# 309:25) &rst ixpk= 309, nxpk= 25, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1711,1712, &end # # 106 ARG QD 106 ARG QB 4.50 (# 310:25) &rst ixpk= 310, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1714,1715, igr2=1708,1709, &end # # 106 ARG QD 106 ARG QG 4.50 (# 311:25) &rst ixpk= 311, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1714,1715, igr2=1711,1712, &end # # 106 ARG QD 106 ARG QG 4.50 (# 312:25) &rst ixpk= 312, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1714,1715, igr2=1711,1712, &end # # 105 LYS QG 105 LYS QD 3.50 (# 314:25) &rst ixpk= 314, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1689,1690, igr2=1692,1693, &end # # 105 LYS QG 105 LYS QB 3.50 (# 315:25) &rst ixpk= 315, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1689,1690, igr2=1686,1687, &end # # 105 LYS QG 105 LYS QE 4.50 (# 316:25) &rst ixpk= 316, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1689,1690, igr2=1695,1696, &end # # 105 LYS QG 105 LYS HA 5.50 (# 317:25) &rst ixpk= 317, nxpk= 25, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1689,1690, &end # # 105 LYS QG 105 LYS H 5.50 (# 318:25) &rst ixpk= 318, nxpk= 25, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1689,1690, &end # # 105 LYS QE 106 ARG QD 4.50 (# 320:25) &rst ixpk= 320, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1695,1696, igr2=1714,1715, &end # # 104 TRP QB 104 TRP HA 4.50 (# 325:25) &rst ixpk= 325, nxpk= 25, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1662,1663, &end # # 104 TRP QB 104 TRP HE3 4.50 (# 326:25) &rst ixpk= 326, nxpk= 25, iat= -1,1677, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1662,1663, &end # # 104 TRP QB 104 TRP H 5.50 (# 327:25) &rst ixpk= 327, nxpk= 25, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1662,1663, &end # # 104 TRP QB 104 TRP H 4.50 (# 328:25) &rst ixpk= 328, nxpk= 25, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1662,1663, &end # # 103 GLU QG 104 TRP H 4.50 (# 329:25) &rst ixpk= 329, nxpk= 25, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1650,1651, &end # # 103 GLU QG 103 GLU H 4.50 (# 330:25) &rst ixpk= 330, nxpk= 25, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1650,1651, &end # # 103 GLU QG 103 GLU HA 3.50 (# 332:25) &rst ixpk= 332, nxpk= 25, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1650,1651, &end # # 103 GLU QG 103 GLU QB 2.80 (# 334:25) &rst ixpk= 334, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1650,1651, igr2=1647,1648, &end # # 103 GLU QB 103 GLU QG 2.80 (# 336:25) &rst ixpk= 336, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1647,1648, igr2=1650,1651, &end # # 103 GLU QB 103 GLU HA 4.50 (# 337:25) &rst ixpk= 337, nxpk= 25, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1647,1648, &end # # 103 GLU QB 103 GLU H 4.50 (# 338:25) &rst ixpk= 338, nxpk= 25, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1647,1648, &end # # 103 GLU QB 104 TRP H 4.50 (# 339:25) &rst ixpk= 339, nxpk= 25, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1647,1648, &end # # 94 GLU QB 94 GLU HA 3.50 (# 340:25) &rst ixpk= 340, nxpk= 25, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1504,1505, &end # # 103 GLU QB 103 GLU HA 4.50 (# 341:25) &rst ixpk= 341, nxpk= 25, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1647,1648, &end # # 103 GLU QB 103 GLU H 4.50 (# 342:25) &rst ixpk= 342, nxpk= 25, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1647,1648, &end # # 103 GLU QB 104 TRP H 4.50 (# 343:25) &rst ixpk= 343, nxpk= 25, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1647,1648, &end # # 94 GLU QB 95 ALA H 4.50 (# 344:25) &rst ixpk= 344, nxpk= 25, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1504,1505, &end # # 103 GLU HA 102 ALA QB 5.50 (# 346:25) &rst ixpk= 346, nxpk= 25, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1637,1638,1639, &end # # 102 ALA QB 102 ALA HA 2.80 (# 349:25) &rst ixpk= 349, nxpk= 25, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr1=1637,1638,1639, &end # # 102 ALA QB 102 ALA H 3.50 (# 350:25) &rst ixpk= 350, nxpk= 25, iat= -1,1633, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1637,1638,1639, &end # # 102 ALA QB 99 GLU HA 3.50 (# 352:25) &rst ixpk= 352, nxpk= 25, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1637,1638,1639, &end # # 102 ALA HA 102 ALA QB 3.50 (# 353:25) &rst ixpk= 353, nxpk= 25, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1637,1638,1639, &end # # 102 ALA HA 103 GLU QB 5.50 (# 354:25) &rst ixpk= 354, nxpk= 25, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1647,1648, &end # # 102 ALA HA 102 ALA H 4.50 (# 355:25) &rst ixpk= 355, nxpk= 25, iat=1635,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 102 ALA HA 103 GLU H 5.50 (# 356:25) &rst ixpk= 356, nxpk= 25, iat=1635,1643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 101 LEU HG 102 ALA QB 3.50 (# 357:25) &rst ixpk= 357, nxpk= 25, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1637,1638,1639, &end # # 98 LYS QG 101 LEU HG 4.50 (# 358:25) &rst ixpk= 358, nxpk= 25, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1565,1566, &end # # 101 LEU HG 101 LEU QB 3.50 (# 359:25) &rst ixpk= 359, nxpk= 25, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1618,1619, &end # # 101 LEU HG 101 LEU QQD 3.50 (# 360:25) &rst ixpk= 360, nxpk= 25, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1623,1624,1625,1627,1628,1629, &end # # 101 LEU HG 101 LEU HA 3.50 (# 361:25) &rst ixpk= 361, nxpk= 25, iat=1621,1616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 101 LEU HG 101 LEU H 4.50 (# 363:25) &rst ixpk= 363, nxpk= 25, iat=1621,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 101 LEU QQD 100 LEU QQD 4.50 (# 364:25) &rst ixpk= 364, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=1623,1624,1625,1627,1628,1629, igr2=1604,1605,1606,1608,1609,1610, &end # # 101 LEU QQD 105 LYS QG 4.50 (# 366:25) &rst ixpk= 366, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1623,1624,1625,1627,1628,1629, igr2=1689,1690, &end # # 101 LEU QQD 100 LEU H 4.50 (# 372:25) &rst ixpk= 372, nxpk= 25, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1623,1624,1625,1627,1628,1629, &end # # 101 LEU QB 102 ALA QB 4.50 (# 373:25) &rst ixpk= 373, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1618,1619, igr2=1637,1638,1639, &end # # 101 LEU QB 101 LEU HG 4.50 (# 374:25) &rst ixpk= 374, nxpk= 25, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1618,1619, &end # # 101 LEU QB 101 LEU HA 4.50 (# 375:25) &rst ixpk= 375, nxpk= 25, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1618,1619, &end # # 101 LEU HA 104 TRP QB 4.50 (# 376:25) &rst ixpk= 376, nxpk= 25, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1662,1663, &end # # 101 LEU HA 103 GLU QB 5.50 (# 377:25) &rst ixpk= 377, nxpk= 25, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1647,1648, &end # # 101 LEU HA 101 LEU QB 4.50 (# 378:25) &rst ixpk= 378, nxpk= 25, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1618,1619, &end # # 101 LEU HA 102 ALA QB 5.50 (# 379:25) &rst ixpk= 379, nxpk= 25, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1637,1638,1639, &end # # 101 LEU HA 101 LEU QQD 3.50 (# 380:25) &rst ixpk= 380, nxpk= 25, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1623,1624,1625,1627,1628,1629, &end # # 101 LEU HA 102 ALA H 4.50 (# 381:25) &rst ixpk= 381, nxpk= 25, iat=1616,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 101 LEU HA 101 LEU H 4.50 (# 382:25) &rst ixpk= 382, nxpk= 25, iat=1616,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 100 LEU QQD 100 LEU H 4.50 (# 383:25) &rst ixpk= 383, nxpk= 25, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1604,1605,1606,1608,1609,1610, &end # # 100 LEU QQD 104 TRP HZ2 4.50 (# 384:25) &rst ixpk= 384, nxpk= 25, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1604,1605,1606,1608,1609,1610, &end # # 97 GLN QE2 100 LEU QQD 5.50 (# 385:25) &rst ixpk= 385, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1553,1554, igr2=1604,1605,1606,1608,1609,1610, &end # # 81 PRO QG 80 PHE QD 5.50 (# 386:25) &rst ixpk= 386, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1300,1301, igr2=1284,1292, &end # # 100 LEU QQD 100 LEU QB 3.50 (# 388:25) &rst ixpk= 388, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1604,1605,1606,1608,1609,1610, igr2=1599,1600, &end # # 100 LEU QQD 100 LEU QB 4.50 (# 389:25) &rst ixpk= 389, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1604,1605,1606,1608,1609,1610, igr2=1599,1600, &end # # 100 LEU QQD 100 LEU QB 4.50 (# 390:25) &rst ixpk= 390, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1604,1605,1606,1608,1609,1610, igr2=1599,1600, &end # # 100 LEU QQD 101 LEU HG 5.50 (# 391:25) &rst ixpk= 391, nxpk= 25, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1604,1605,1606,1608,1609,1610, &end # # 100 LEU QQD 100 LEU HG 3.50 (# 392:25) &rst ixpk= 392, nxpk= 25, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1604,1605,1606,1608,1609,1610, &end # # 100 LEU QQD 100 LEU HA 3.50 (# 393:25) &rst ixpk= 393, nxpk= 25, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1604,1605,1606,1608,1609,1610, &end # # 100 LEU QQD 104 TRP HZ2 4.50 (# 394:25) &rst ixpk= 394, nxpk= 25, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1604,1605,1606,1608,1609,1610, &end # # 100 LEU QQD 100 LEU H 4.50 (# 395:25) &rst ixpk= 395, nxpk= 25, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1604,1605,1606,1608,1609,1610, &end # # 100 LEU QB 100 LEU QQD 4.50 (# 396:25) &rst ixpk= 396, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1599,1600, igr2=1604,1605,1606,1608,1609,1610, &end # # 100 LEU QB 100 LEU HG 4.50 (# 397:25) &rst ixpk= 397, nxpk= 25, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1599,1600, &end # # 100 LEU QB 100 LEU HA 5.50 (# 399:25) &rst ixpk= 399, nxpk= 25, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1599,1600, &end # # 100 LEU QB 100 LEU H 5.50 (# 400:25) &rst ixpk= 400, nxpk= 25, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1599,1600, &end # # 100 LEU HA 100 LEU QB 4.50 (# 401:25) &rst ixpk= 401, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1599,1600, &end # # 100 LEU HA 100 LEU QQD 3.50 (# 402:25) &rst ixpk= 402, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1604,1605,1606,1608,1609,1610, &end # # 100 LEU HA 100 LEU HG 4.50 (# 403:25) &rst ixpk= 403, nxpk= 25, iat=1597,1602, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 100 LEU HA 101 LEU HG 5.50 (# 404:25) &rst ixpk= 404, nxpk= 25, iat=1597,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 100 LEU HA 103 GLU QB 4.50 (# 405:25) &rst ixpk= 405, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1647,1648, &end # # 100 LEU HA 103 GLU QG 5.50 (# 406:25) &rst ixpk= 406, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1650,1651, &end # # 100 LEU HA 100 LEU H 4.50 (# 407:25) &rst ixpk= 407, nxpk= 25, iat=1597,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 99 GLU QG 99 GLU HA 4.50 (# 409:25) &rst ixpk= 409, nxpk= 25, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1587,1588, &end # # 99 GLU QG 99 GLU H 4.50 (# 410:25) &rst ixpk= 410, nxpk= 25, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1587,1588, &end # # 99 GLU QB 99 GLU HA 4.50 (# 412:25) &rst ixpk= 412, nxpk= 25, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1584,1585, &end # # 99 GLU QB 99 GLU H 4.50 (# 413:25) &rst ixpk= 413, nxpk= 25, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1584,1585, &end # # 99 GLU QB 100 LEU H 4.50 (# 414:25) &rst ixpk= 414, nxpk= 25, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1584,1585, &end # # 99 GLU QB 99 GLU QG 4.50 (# 415:25) &rst ixpk= 415, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1584,1585, igr2=1587,1588, &end # # 99 GLU QB 96 VAL HA 4.50 (# 416:25) &rst ixpk= 416, nxpk= 25, iat= -1,1527, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1584,1585, &end # # 99 GLU QB 99 GLU HA 4.50 (# 417:25) &rst ixpk= 417, nxpk= 25, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1584,1585, &end # # 99 GLU QB 99 GLU H 4.50 (# 418:25) &rst ixpk= 418, nxpk= 25, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1584,1585, &end # # 91 GLU QB 91 GLU H 4.50 (# 419:25) &rst ixpk= 419, nxpk= 25, iat= -1,1452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1456,1457, &end # # 99 GLU QB 100 LEU H 4.50 (# 420:25) &rst ixpk= 420, nxpk= 25, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1584,1585, &end # # 99 GLU QB 99 GLU QG 4.50 (# 421:25) &rst ixpk= 421, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1584,1585, igr2=1587,1588, &end # # 99 GLU QB 96 VAL HA 4.50 (# 422:25) &rst ixpk= 422, nxpk= 25, iat= -1,1527, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1584,1585, &end # # 99 GLU HA 102 ALA QB 4.50 (# 423:25) &rst ixpk= 423, nxpk= 25, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1637,1638,1639, &end # # 99 GLU HA 99 GLU QG 4.50 (# 424:25) &rst ixpk= 424, nxpk= 25, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1587,1588, &end # # 98 LYS QG 98 LYS QB 3.50 (# 425:25) &rst ixpk= 425, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1565,1566, igr2=1562,1563, &end # # 98 LYS QG 98 LYS QE 4.50 (# 426:25) &rst ixpk= 426, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1565,1566, igr2=1571,1572, &end # # 98 LYS QG 98 LYS HA 4.50 (# 427:25) &rst ixpk= 427, nxpk= 25, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1565,1566, &end # # 98 LYS QG 98 LYS H 4.50 (# 428:25) &rst ixpk= 428, nxpk= 25, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1565,1566, &end # # 98 LYS QG 98 LYS QB 3.50 (# 429:25) &rst ixpk= 429, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1565,1566, igr2=1562,1563, &end # # 98 LYS QG 98 LYS QE 4.50 (# 430:25) &rst ixpk= 430, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1565,1566, igr2=1571,1572, &end # # 98 LYS QG 98 LYS HA 4.50 (# 431:25) &rst ixpk= 431, nxpk= 25, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1565,1566, &end # # 98 LYS QG 98 LYS H 5.50 (# 432:25) &rst ixpk= 432, nxpk= 25, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1565,1566, &end # # 98 LYS QE 98 LYS QG 4.50 (# 433:25) &rst ixpk= 433, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1571,1572, igr2=1565,1566, &end # # 98 LYS QE 98 LYS QG 3.50 (# 434:25) &rst ixpk= 434, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1571,1572, igr2=1565,1566, &end # # 98 LYS QE 98 LYS QB 4.50 (# 435:25) &rst ixpk= 435, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1571,1572, igr2=1562,1563, &end # # 98 LYS QE 97 GLN QB 5.50 (# 436:25) &rst ixpk= 436, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1571,1572, igr2=1545,1546, &end # # 98 LYS QE 94 GLU QG 4.50 (# 437:25) &rst ixpk= 437, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1571,1572, igr2=1507,1508, &end # # 98 LYS QD 98 LYS QG 3.50 (# 440:25) &rst ixpk= 440, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1568,1569, igr2=1565,1566, &end # # 98 LYS QD 98 LYS QB 3.50 (# 441:25) &rst ixpk= 441, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1568,1569, igr2=1562,1563, &end # # 98 LYS QD 94 GLU QG 4.50 (# 442:25) &rst ixpk= 442, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1568,1569, igr2=1507,1508, &end # # 98 LYS QD 98 LYS QE 4.50 (# 443:25) &rst ixpk= 443, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1568,1569, igr2=1571,1572, &end # # 98 LYS QD 98 LYS HA 4.50 (# 444:25) &rst ixpk= 444, nxpk= 25, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1568,1569, &end # # 98 LYS QD 95 ALA HA 4.50 (# 445:25) &rst ixpk= 445, nxpk= 25, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1568,1569, &end # # 98 LYS QD 98 LYS H 4.50 (# 446:25) &rst ixpk= 446, nxpk= 25, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1568,1569, &end # # 98 LYS QB 98 LYS QG 3.50 (# 447:25) &rst ixpk= 447, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1562,1563, igr2=1565,1566, &end # # 98 LYS QB 98 LYS QD 2.80 (# 448:25) &rst ixpk= 448, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1562,1563, igr2=1568,1569, &end # # 98 LYS QB 98 LYS HA 3.50 (# 450:25) &rst ixpk= 450, nxpk= 25, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1562,1563, &end # # 98 LYS QB 99 GLU H 4.50 (# 451:25) &rst ixpk= 451, nxpk= 25, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1562,1563, &end # # 98 LYS QB 98 LYS H 3.50 (# 452:25) &rst ixpk= 452, nxpk= 25, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1562,1563, &end # # 98 LYS HA 101 LEU HG 4.50 (# 453:25) &rst ixpk= 453, nxpk= 25, iat=1560,1621, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 98 LYS HA 98 LYS QG 4.50 (# 454:25) &rst ixpk= 454, nxpk= 25, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1565,1566, &end # # 98 LYS HA 98 LYS QD 4.50 (# 455:25) &rst ixpk= 455, nxpk= 25, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1568,1569, &end # # 98 LYS HA 98 LYS QB 3.50 (# 456:25) &rst ixpk= 456, nxpk= 25, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1562,1563, &end # # 102 ALA HA 98 LYS HA 7.00 (# 457:25) &rst ixpk= 457, nxpk= 25, iat=1635,1560, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 98 LYS HA 99 GLU H 5.50 (# 458:25) &rst ixpk= 458, nxpk= 25, iat=1560,1580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 98 LYS HA 98 LYS H 4.50 (# 459:25) &rst ixpk= 459, nxpk= 25, iat=1560,1558, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 97 GLN HA 96 VAL HB 4.50 (# 460:25) &rst ixpk= 460, nxpk= 25, iat=1543,1529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 97 GLN HA 100 LEU HG 4.50 (# 461:25) &rst ixpk= 461, nxpk= 25, iat=1543,1602, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 89 PHE QE 97 GLN HA 4.50 (# 462:25) &rst ixpk= 462, nxpk= 25, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1421,1425, &end # # 97 GLN HA 97 GLN H 4.50 (# 463:25) &rst ixpk= 463, nxpk= 25, iat=1543,1541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 97 GLN HA 98 LYS H 5.50 (# 464:25) &rst ixpk= 464, nxpk= 25, iat=1543,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 96 VAL HB 96 VAL QQG 3.50 (# 465:25) &rst ixpk= 465, nxpk= 25, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1531,1532,1533,1535,1536,1537, &end # # 96 VAL HB 96 VAL H 4.50 (# 466:25) &rst ixpk= 466, nxpk= 25, iat=1529,1525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 96 VAL HA 96 VAL QQG 3.50 (# 467:25) &rst ixpk= 467, nxpk= 25, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1531,1532,1533,1535,1536,1537, &end # # 96 VAL HA 96 VAL HB 4.50 (# 468:25) &rst ixpk= 468, nxpk= 25, iat=1527,1529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 96 VAL HA 99 GLU QB 4.50 (# 469:25) &rst ixpk= 469, nxpk= 25, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1584,1585, &end # # 96 VAL HA 99 GLU QB 4.50 (# 470:25) &rst ixpk= 470, nxpk= 25, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1584,1585, &end # # 96 VAL HA 96 VAL H 5.50 (# 471:25) &rst ixpk= 471, nxpk= 25, iat=1527,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 96 VAL HA 99 GLU H 4.50 (# 472:25) &rst ixpk= 472, nxpk= 25, iat=1527,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 95 ALA QB 96 VAL QQG 4.50 (# 473:25) &rst ixpk= 473, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1519,1520,1521, igr2=1531,1532,1533,1535,1536,1537, &end # # 93 PRO QB 95 ALA QB 4.50 (# 475:25) &rst ixpk= 475, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1493,1494, igr2=1519,1520,1521, &end # # 94 GLU QG 95 ALA QB 4.50 (# 476:25) &rst ixpk= 476, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1507,1508, igr2=1519,1520,1521, &end # # 95 ALA HA 95 ALA QB 3.50 (# 477:25) &rst ixpk= 477, nxpk= 25, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1519,1520,1521, &end # # 95 ALA QB 95 ALA HA 3.50 (# 477:25) &rst ixpk= 477, nxpk= 25, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1519,1520,1521, &end # # 95 ALA QB 96 VAL H 4.50 (# 478:25) &rst ixpk= 478, nxpk= 25, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1519,1520,1521, &end # # 96 VAL H 95 ALA QB 4.50 (# 478:25) &rst ixpk= 478, nxpk= 25, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1519,1520,1521, &end # # 95 ALA H 95 ALA QB 3.50 (# 479:25) &rst ixpk= 479, nxpk= 25, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1519,1520,1521, &end # # 95 ALA QB 95 ALA H 3.50 (# 479:25) &rst ixpk= 479, nxpk= 25, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1519,1520,1521, &end # # 95 ALA HA 95 ALA QB 3.50 (# 480:25) &rst ixpk= 480, nxpk= 25, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1519,1520,1521, &end # # 98 LYS QG 95 ALA HA 4.50 (# 481:25) &rst ixpk= 481, nxpk= 25, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1565,1566, &end # # 98 LYS QB 95 ALA HA 4.50 (# 482:25) &rst ixpk= 482, nxpk= 25, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1562,1563, &end # # 95 ALA HA 95 ALA H 5.50 (# 483:25) &rst ixpk= 483, nxpk= 25, iat=1517,1515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 94 GLU QG 94 GLU HA 4.50 (# 484:25) &rst ixpk= 484, nxpk= 25, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1507,1508, &end # # 94 GLU QG 94 GLU QB 3.50 (# 485:25) &rst ixpk= 485, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1507,1508, igr2=1504,1505, &end # # 94 GLU QG 94 GLU QB 3.50 (# 486:25) &rst ixpk= 486, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1507,1508, igr2=1504,1505, &end # # 94 GLU QB 94 GLU H 5.50 (# 488:25) &rst ixpk= 488, nxpk= 25, iat= -1,1500, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1504,1505, &end # # 94 GLU QB 94 GLU HA 4.50 (# 489:25) &rst ixpk= 489, nxpk= 25, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1504,1505, &end # # 94 GLU QB 94 GLU QG 3.50 (# 490:25) &rst ixpk= 490, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1504,1505, igr2=1507,1508, &end # # 98 LYS QD 95 ALA QB 4.50 (# 491:25) &rst ixpk= 491, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1568,1569, igr2=1519,1520,1521, &end # # 94 GLU QB 95 ALA QB 4.50 (# 492:25) &rst ixpk= 492, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1504,1505, igr2=1519,1520,1521, &end # # 94 GLU QG 95 ALA QB 5.50 (# 493:25) &rst ixpk= 493, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1507,1508, igr2=1519,1520,1521, &end # # 95 ALA H 94 GLU QB 5.50 (# 494:25) &rst ixpk= 494, nxpk= 25, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1504,1505, &end # # 88 VAL QQG 92 LEU QB 4.50 (# 498:25) &rst ixpk= 498, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1401,1402,1403,1405,1406,1407, igr2=1471,1472, &end # # 88 VAL QQG 87 GLN QB 3.50 (# 501:25) &rst ixpk= 501, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1401,1402,1403,1405,1406,1407, igr2=1382,1383, &end # # 88 VAL QQG 91 GLU QG 5.50 (# 502:25) &rst ixpk= 502, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1401,1402,1403,1405,1406,1407, igr2=1459,1460, &end # # 88 VAL QQG 90 TYR QB 5.50 (# 503:25) &rst ixpk= 503, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1401,1402,1403,1405,1406,1407, igr2=1435,1436, &end # # 88 VAL QQG 88 VAL HA 3.50 (# 504:25) &rst ixpk= 504, nxpk= 25, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1401,1402,1403,1405,1406,1407, &end # # 88 VAL QQG 91 GLU HA 7.00 (# 505:25) &rst ixpk= 505, nxpk= 25, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr1=1401,1402,1403,1405,1406,1407, &end # # 88 VAL QQG 86 PRO QD 5.50 (# 506:25) &rst ixpk= 506, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1401,1402,1403,1405,1406,1407, igr2=1365,1366, &end # # 88 VAL QQG 88 VAL H 3.50 (# 507:25) &rst ixpk= 507, nxpk= 25, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1401,1402,1403,1405,1406,1407, &end # # 88 VAL QQG 89 PHE H 4.50 (# 508:25) &rst ixpk= 508, nxpk= 25, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1401,1402,1403,1405,1406,1407, &end # # 88 VAL QQG 90 TYR H 5.50 (# 509:25) &rst ixpk= 509, nxpk= 25, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1401,1402,1403,1405,1406,1407, &end # # 88 VAL QQG 87 GLN H 5.50 (# 510:25) &rst ixpk= 510, nxpk= 25, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1401,1402,1403,1405,1406,1407, &end # # 95 ALA QB 96 VAL QQG 4.50 (# 511:25) &rst ixpk= 511, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1519,1520,1521, igr2=1531,1532,1533,1535,1536,1537, &end # # 96 VAL HB 96 VAL QQG 2.80 (# 512:25) &rst ixpk= 512, nxpk= 25, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1531,1532,1533,1535,1536,1537, &end # # 96 VAL HB 96 VAL QQG 3.50 (# 512:25) &rst ixpk= 512, nxpk= 25, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1531,1532,1533,1535,1536,1537, &end # # 102 ALA QB 101 LEU QQD 4.50 (# 513:25) &rst ixpk= 513, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1637,1638,1639, igr2=1623,1624,1625,1627,1628,1629, &end # # 88 VAL HB 88 VAL QQG 4.50 (# 514:25) &rst ixpk= 514, nxpk= 25, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1401,1402,1403,1405,1406,1407, &end # # 93 PRO QB 96 VAL QQG 5.50 (# 515:25) &rst ixpk= 515, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1493,1494, igr2=1531,1532,1533,1535,1536,1537, &end # # 96 VAL HA 96 VAL QQG 3.50 (# 516:25) &rst ixpk= 516, nxpk= 25, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1531,1532,1533,1535,1536,1537, &end # # 98 LYS HA 101 LEU QQD 3.50 (# 517:25) &rst ixpk= 517, nxpk= 25, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1623,1624,1625,1627,1628,1629, &end # # 96 VAL H 96 VAL QQG 3.50 (# 518:25) &rst ixpk= 518, nxpk= 25, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1531,1532,1533,1535,1536,1537, &end # # 99 GLU H 101 LEU QQD 4.50 (# 521:25) &rst ixpk= 521, nxpk= 25, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1623,1624,1625,1627,1628,1629, &end # # 97 GLN H 96 VAL QQG 4.50 (# 522:25) &rst ixpk= 522, nxpk= 25, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1531,1532,1533,1535,1536,1537, &end # # 103 GLU QG 100 LEU QQD 5.50 (# 524:25) &rst ixpk= 524, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1650,1651, igr2=1604,1605,1606,1608,1609,1610, &end # # 97 GLN QE2 92 LEU QQD 5.50 (# 527:25) &rst ixpk= 527, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1553,1554, igr2=1476,1477,1478,1480,1481,1482, &end # # 103 GLU H 100 LEU QQD 5.50 (# 528:25) &rst ixpk= 528, nxpk= 25, iat=1643, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1604,1605,1606,1608,1609,1610, &end # # 104 TRP HE1 100 LEU QQD 5.50 (# 530:25) &rst ixpk= 530, nxpk= 25, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1604,1605,1606,1608,1609,1610, &end # # 107 THR QG2 104 TRP HA 4.50 (# 544:25) &rst ixpk= 544, nxpk= 25, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1734,1735,1736, &end # # 92 LEU QD1 92 LEU QD2 3.50 (# 547:25) &rst ixpk= 547, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1476,1477,1478, igr2=1480,1481,1482, &end # # 92 LEU QQD 92 LEU QB 3.50 (# 548:25) &rst ixpk= 548, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1476,1477,1478,1480,1481,1482, igr2=1471,1472, &end # # 92 LEU QQD 88 VAL QQG 4.50 (# 549:25) &rst ixpk= 549, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=1476,1477,1478,1480,1481,1482, igr2=1401,1402,1403,1405,1406,1407, &end # # 92 LEU QQD 92 LEU QB 4.50 (# 552:25) &rst ixpk= 552, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1476,1477,1478,1480,1481,1482, igr2=1471,1472, &end # # 92 LEU QQD 93 PRO QG 3.50 (# 554:25) &rst ixpk= 554, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1476,1477,1478,1480,1481,1482, igr2=1490,1491, &end # # 92 LEU QQD 89 PHE QB 5.50 (# 555:25) &rst ixpk= 555, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1476,1477,1478,1480,1481,1482, igr2=1415,1416, &end # # 92 LEU QQD 93 PRO QD 3.50 (# 556:25) &rst ixpk= 556, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1476,1477,1478,1480,1481,1482, igr2=1487,1488, &end # # 92 LEU QQD 93 PRO QD 4.50 (# 557:25) &rst ixpk= 557, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1476,1477,1478,1480,1481,1482, igr2=1487,1488, &end # # 92 LEU QQD 92 LEU HA 3.50 (# 558:25) &rst ixpk= 558, nxpk= 25, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1476,1477,1478,1480,1481,1482, &end # # 92 LEU QQD 89 PHE QE 5.50 (# 561:25) &rst ixpk= 561, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1476,1477,1478,1480,1481,1482, igr2=1421,1425, &end # # 92 LEU QQD 92 LEU H 4.50 (# 562:25) &rst ixpk= 562, nxpk= 25, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1476,1477,1478,1480,1481,1482, &end # # 92 LEU HA 92 LEU QQD 5.50 (# 567:25) &rst ixpk= 567, nxpk= 25, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1476,1477,1478,1480,1481,1482, &end # # 107 THR QG2 108 GLY H 5.50 (# 571:25) &rst ixpk= 571, nxpk= 25, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1734,1735,1736, &end # # 99 GLU QB 99 GLU HA 3.50 (# 572:25) &rst ixpk= 572, nxpk= 25, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1584,1585, &end # # 99 GLU H 99 GLU HA 4.50 (# 574:25) &rst ixpk= 574, nxpk= 25, iat=1580,1582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 87 GLN HA 90 TYR H 5.50 (# 575:25) &rst ixpk= 575, nxpk= 25, iat=1380,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 85 ASP H 84 ILE HA 4.50 (# 576:25) &rst ixpk= 576, nxpk= 25, iat=1352,1335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 100 LEU HA 100 LEU QB 3.50 (# 584:25) &rst ixpk= 584, nxpk= 25, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1599,1600, &end # # 100 LEU HA 103 GLU H 5.50 (# 585:25) &rst ixpk= 585, nxpk= 25, iat=1597,1643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 100 LEU HA 102 ALA H 5.50 (# 586:25) &rst ixpk= 586, nxpk= 25, iat=1597,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 102 ALA QB 103 GLU H 3.50 (# 604:25) &rst ixpk= 604, nxpk= 25, iat= -1,1643, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1637,1638,1639, &end # # 102 ALA QB 101 LEU H 4.50 (# 605:25) &rst ixpk= 605, nxpk= 25, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1637,1638,1639, &end # # 84 ILE QG2 88 VAL QQG 4.50 (# 617:25) &rst ixpk= 617, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78, igr1=1339,1340,1341, igr2=1401,1402,1403,1405,1406,1407, &end # # 84 ILE QG2 81 PRO QG 5.50 (# 618:25) &rst ixpk= 618, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1339,1340,1341, igr2=1300,1301, &end # # 84 ILE QG2 100 LEU HG 5.50 (# 619:25) &rst ixpk= 619, nxpk= 25, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1339,1340,1341, &end # # 84 ILE QG2 84 ILE HB 3.50 (# 620:25) &rst ixpk= 620, nxpk= 25, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1339,1340,1341, &end # # 84 ILE QG2 83 ASP QB 7.00 (# 622:25) &rst ixpk= 622, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr1=1339,1340,1341, igr2=1325,1326, &end # # 84 ILE QG2 85 ASP QB 5.50 (# 623:25) &rst ixpk= 623, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1339,1340,1341, igr2=1356,1357, &end # # 84 ILE QG2 89 PHE HA 5.50 (# 624:25) &rst ixpk= 624, nxpk= 25, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1339,1340,1341, &end # # 84 ILE QG2 84 ILE HA 4.50 (# 625:25) &rst ixpk= 625, nxpk= 25, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1339,1340,1341, &end # # 84 ILE QG2 81 PRO HA 7.00 (# 626:25) &rst ixpk= 626, nxpk= 25, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1=1339,1340,1341, &end # # 84 ILE QG2 83 ASP HA 5.50 (# 627:25) &rst ixpk= 627, nxpk= 25, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1339,1340,1341, &end # # 84 ILE QG2 104 TRP HH2 3.50 (# 630:25) &rst ixpk= 630, nxpk= 25, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1339,1340,1341, &end # # 84 ILE QG2 84 ILE H 4.50 (# 631:25) &rst ixpk= 631, nxpk= 25, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1339,1340,1341, &end # # 84 ILE QG2 89 PHE QE 5.50 (# 632:25) &rst ixpk= 632, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1339,1340,1341, igr2=1421,1425, &end # # 84 ILE QG2 104 TRP HZ2 5.50 (# 633:25) &rst ixpk= 633, nxpk= 25, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1339,1340,1341, &end # # 84 ILE QG2 89 PHE H 5.50 (# 634:25) &rst ixpk= 634, nxpk= 25, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1339,1340,1341, &end # # 84 ILE QG2 85 ASP H 4.50 (# 635:25) &rst ixpk= 635, nxpk= 25, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1339,1340,1341, &end # # 78 HIS QB 78 HIS HA 3.50 (# 642:25) &rst ixpk= 642, nxpk= 25, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1246,1247, &end # # 102 ALA QB 104 TRP HA 7.00 (# 644:25) &rst ixpk= 644, nxpk= 25, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1=1637,1638,1639, &end # # 98 LYS H 95 ALA HA 5.50 (# 651:25) &rst ixpk= 651, nxpk= 25, iat=1558,1517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 102 ALA HA 106 ARG H 5.50 (# 677:25) &rst ixpk= 677, nxpk= 25, iat=1635,1704, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 83 ASP HA 82 SER QB 5.50 (# 683:25) &rst ixpk= 683, nxpk= 25, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1314,1315, &end # # 83 ASP HA 82 SER HA 5.50 (# 684:25) &rst ixpk= 684, nxpk= 25, iat=1323,1312, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 83 ASP HA 84 ILE QD1 5.50 (# 685:25) &rst ixpk= 685, nxpk= 25, iat=1323, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1346,1347,1348, &end # # 86 PRO QD 86 PRO QG 4.50 (# 699:25) &rst ixpk= 699, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1365,1366, igr2=1368,1369, &end # # 86 PRO QD 86 PRO QG 3.50 (# 700:25) &rst ixpk= 700, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1365,1366, igr2=1368,1369, &end # # 86 PRO QD 85 ASP HA 4.50 (# 704:25) &rst ixpk= 704, nxpk= 25, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1365,1366, &end # # 86 PRO QD 85 ASP HA 4.50 (# 705:25) &rst ixpk= 705, nxpk= 25, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1365,1366, &end # # 86 PRO QD 86 PRO QG 3.50 (# 707:25) &rst ixpk= 707, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1365,1366, igr2=1368,1369, &end # # 86 PRO QD 86 PRO QG 4.50 (# 708:25) &rst ixpk= 708, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1365,1366, igr2=1368,1369, &end # # 86 PRO QD 87 GLN H 5.50 (# 709:25) &rst ixpk= 709, nxpk= 25, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1365,1366, &end # # 86 PRO QD 87 GLN H 5.50 (# 710:25) &rst ixpk= 710, nxpk= 25, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1365,1366, &end # # 92 LEU QQD 93 PRO QD 5.50 (# 730:25) &rst ixpk= 730, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1476,1477,1478,1480,1481,1482, igr2=1487,1488, &end # # 92 LEU QQD 93 PRO QD 4.50 (# 731:25) &rst ixpk= 731, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1476,1477,1478,1480,1481,1482, igr2=1487,1488, &end # # 92 LEU QB 93 PRO QD 4.50 (# 732:25) &rst ixpk= 732, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1471,1472, igr2=1487,1488, &end # # 93 PRO QG 93 PRO QD 4.50 (# 733:25) &rst ixpk= 733, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1490,1491, igr2=1487,1488, &end # # 84 ILE QD1 84 ILE QG1 4.50 (# 734:25) &rst ixpk= 734, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1346,1347,1348, igr2=1343,1344, &end # # 84 ILE QD1 88 VAL QQG 5.50 (# 735:25) &rst ixpk= 735, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, igr1=1346,1347,1348, igr2=1401,1402,1403,1405,1406,1407, &end # # 84 ILE QD1 81 PRO QG 4.50 (# 736:25) &rst ixpk= 736, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1346,1347,1348, igr2=1300,1301, &end # # 84 ILE QD1 81 PRO QB 5.50 (# 737:25) &rst ixpk= 737, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1346,1347,1348, igr2=1303,1304, &end # # 84 ILE QD1 84 ILE HB 3.50 (# 738:25) &rst ixpk= 738, nxpk= 25, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1=1346,1347,1348, &end # # 84 ILE QD1 81 PRO QD 4.50 (# 739:25) &rst ixpk= 739, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1346,1347,1348, igr2=1297,1298, &end # # 84 ILE QD1 83 ASP QB 4.50 (# 741:25) &rst ixpk= 741, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1346,1347,1348, igr2=1325,1326, &end # # 84 ILE QD1 81 PRO QD 4.50 (# 742:25) &rst ixpk= 742, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1346,1347,1348, igr2=1297,1298, &end # # 84 ILE QD1 84 ILE HA 4.50 (# 744:25) &rst ixpk= 744, nxpk= 25, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1346,1347,1348, &end # # 84 ILE QD1 81 PRO HA 7.00 (# 745:25) &rst ixpk= 745, nxpk= 25, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1=1346,1347,1348, &end # # 84 ILE QD1 83 ASP HA 5.50 (# 746:25) &rst ixpk= 746, nxpk= 25, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1346,1347,1348, &end # # 84 ILE QD1 9 THR HB 7.00 (# 747:25) &rst ixpk= 747, nxpk= 25, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1=1346,1347,1348, &end # # 84 ILE QD1 84 ILE H 4.50 (# 751:25) &rst ixpk= 751, nxpk= 25, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1346,1347,1348, &end # # 84 ILE QD1 104 TRP HZ2 4.50 (# 752:25) &rst ixpk= 752, nxpk= 25, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1346,1347,1348, &end # # 84 ILE QD1 83 ASP H 5.50 (# 753:25) &rst ixpk= 753, nxpk= 25, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1346,1347,1348, &end # # 84 ILE QD1 85 ASP H 4.50 (# 754:25) &rst ixpk= 754, nxpk= 25, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=1346,1347,1348, &end # # 106 ARG QD 103 GLU HA 5.50 (# 775:25) &rst ixpk= 775, nxpk= 25, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1714,1715, &end # # 106 ARG QD 106 ARG HA 4.50 (# 776:25) &rst ixpk= 776, nxpk= 25, iat= -1,1706, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1714,1715, &end # # 106 ARG QD 106 ARG H 5.50 (# 781:25) &rst ixpk= 781, nxpk= 25, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1714,1715, &end # # 85 ASP QB 88 VAL QQG 5.50 (# 782:25) &rst ixpk= 782, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1356,1357, igr2=1401,1402,1403,1405,1406,1407, &end # # 85 ASP QB 88 VAL QQG 5.50 (# 783:25) &rst ixpk= 783, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1356,1357, igr2=1401,1402,1403,1405,1406,1407, &end # # 85 ASP QB 86 PRO HA 5.50 (# 784:25) &rst ixpk= 784, nxpk= 25, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1356,1357, &end # # 85 ASP QB 86 PRO HA 7.00 (# 785:25) &rst ixpk= 785, nxpk= 25, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1=1356,1357, &end # # 85 ASP QB 86 PRO QD 4.50 (# 787:25) &rst ixpk= 787, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1356,1357, igr2=1365,1366, &end # # 85 ASP QB 86 PRO QD 4.50 (# 788:25) &rst ixpk= 788, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1356,1357, igr2=1365,1366, &end # # 85 ASP QB 85 ASP HA 5.50 (# 789:25) &rst ixpk= 789, nxpk= 25, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1356,1357, &end # # 85 ASP QB 85 ASP H 4.50 (# 790:25) &rst ixpk= 790, nxpk= 25, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1356,1357, &end # # 85 ASP QB 85 ASP H 4.50 (# 791:25) &rst ixpk= 791, nxpk= 25, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1356,1357, &end # # 100 LEU H 100 LEU QB 4.50 (# 799:25) &rst ixpk= 799, nxpk= 25, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1599,1600, &end # # 89 PHE QE 100 LEU QB 7.00 (# 800:25) &rst ixpk= 800, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32, igr1=1421,1425, igr2=1599,1600, &end # # 97 GLN HA 100 LEU QB 5.50 (# 801:25) &rst ixpk= 801, nxpk= 25, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1599,1600, &end # # 92 LEU QB 93 PRO QD 5.50 (# 802:25) &rst ixpk= 802, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1471,1472, igr2=1487,1488, &end # # 92 LEU QB 93 PRO QD 5.50 (# 803:25) &rst ixpk= 803, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1471,1472, igr2=1487,1488, &end # # 89 PHE QB 88 VAL QQG 5.50 (# 808:25) &rst ixpk= 808, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1415,1416, igr2=1401,1402,1403,1405,1406,1407, &end # # 89 PHE QB 84 ILE QG1 5.50 (# 809:25) &rst ixpk= 809, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1415,1416, igr2=1343,1344, &end # # 89 PHE QB 89 PHE HA 4.50 (# 810:25) &rst ixpk= 810, nxpk= 25, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1415,1416, &end # # 96 VAL QQG 99 GLU QG 5.50 (# 823:25) &rst ixpk= 823, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1531,1532,1533,1535,1536,1537, igr2=1587,1588, &end # # 97 GLN QG 96 VAL HB 4.50 (# 831:25) &rst ixpk= 831, nxpk= 25, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1548,1549, &end # # 97 GLN QG 97 GLN QB 3.50 (# 832:25) &rst ixpk= 832, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1548,1549, igr2=1545,1546, &end # # 97 GLN QG 97 GLN HA 4.50 (# 833:25) &rst ixpk= 833, nxpk= 25, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1548,1549, &end # # 97 GLN QG 97 GLN QE2 4.50 (# 834:25) &rst ixpk= 834, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1548,1549, igr2=1553,1554, &end # # 97 GLN QG 89 PHE QE 4.50 (# 835:25) &rst ixpk= 835, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1548,1549, igr2=1421,1425, &end # # 97 GLN QG 97 GLN QE2 4.50 (# 836:25) &rst ixpk= 836, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1548,1549, igr2=1553,1554, &end # # 97 GLN QG 98 LYS H 4.50 (# 837:25) &rst ixpk= 837, nxpk= 25, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1548,1549, &end # # 105 LYS QB 105 LYS QE 4.50 (# 838:25) &rst ixpk= 838, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1686,1687, igr2=1695,1696, &end # # 107 THR HB 107 THR H 5.50 (# 841:25) &rst ixpk= 841, nxpk= 25, iat=1732,1728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 93 PRO HA 93 PRO QB 4.50 (# 842:25) &rst ixpk= 842, nxpk= 25, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1493,1494, &end # # 92 LEU HA 93 PRO QB 5.50 (# 843:25) &rst ixpk= 843, nxpk= 25, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1493,1494, &end # # 97 GLN HA 93 PRO QB 7.00 (# 844:25) &rst ixpk= 844, nxpk= 25, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1493,1494, &end # # 93 PRO QD 93 PRO QB 5.50 (# 845:25) &rst ixpk= 845, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1487,1488, igr2=1493,1494, &end # # 93 PRO QG 93 PRO QB 4.50 (# 846:25) &rst ixpk= 846, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1490,1491, igr2=1493,1494, &end # # 96 VAL QQG 93 PRO QB 5.50 (# 848:25) &rst ixpk= 848, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1531,1532,1533,1535,1536,1537, igr2=1493,1494, &end # # 92 LEU QQD 93 PRO QB 5.50 (# 849:25) &rst ixpk= 849, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1476,1477,1478,1480,1481,1482, igr2=1493,1494, &end # # 97 GLN QE2 93 PRO QB 5.50 (# 850:25) &rst ixpk= 850, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1553,1554, igr2=1493,1494, &end # # 82 SER H 81 PRO QB 5.50 (# 851:25) &rst ixpk= 851, nxpk= 25, iat=1310, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1303,1304, &end # # 78 HIS HA 78 HIS QB 4.50 (# 854:25) &rst ixpk= 854, nxpk= 25, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1246,1247, &end # # 78 HIS HA 78 HIS QB 4.50 (# 855:25) &rst ixpk= 855, nxpk= 25, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1246,1247, &end # # 78 HIS QB 78 HIS HD2 4.50 (# 856:25) &rst ixpk= 856, nxpk= 25, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1246,1247, &end # # 78 HIS QB 78 HIS HD2 4.50 (# 857:25) &rst ixpk= 857, nxpk= 25, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1246,1247, &end # # 96 VAL HA 96 VAL HB 4.50 (# 859:25) &rst ixpk= 859, nxpk= 25, iat=1527,1529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 81 PRO QB 84 ILE QD1 5.50 (# 861:25) &rst ixpk= 861, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1303,1304, igr2=1346,1347,1348, &end # # 100 LEU QQD 96 VAL HB 5.50 (# 862:25) &rst ixpk= 862, nxpk= 25, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1604,1605,1606,1608,1609,1610, &end # # 91 GLU QB 91 GLU HA 4.50 (# 868:25) &rst ixpk= 868, nxpk= 25, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1456,1457, &end # # 91 GLU QB 91 GLU QG 4.50 (# 869:25) &rst ixpk= 869, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1456,1457, igr2=1459,1460, &end # # 96 VAL QQG 99 GLU QB 4.50 (# 870:25) &rst ixpk= 870, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1531,1532,1533,1535,1536,1537, igr2=1584,1585, &end # # 104 TRP HA 103 GLU QB 5.50 (# 874:25) &rst ixpk= 874, nxpk= 25, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1647,1648, &end # # 105 LYS QD 104 TRP HA 7.00 (# 875:25) &rst ixpk= 875, nxpk= 25, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1=1692,1693, &end # # 96 VAL QQG 99 GLU QB 4.50 (# 876:25) &rst ixpk= 876, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1531,1532,1533,1535,1536,1537, igr2=1584,1585, &end # # 104 TRP QB 105 LYS H 5.50 (# 877:25) &rst ixpk= 877, nxpk= 25, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1662,1663, &end # # 104 TRP QB 104 TRP HD1 5.50 (# 878:25) &rst ixpk= 878, nxpk= 25, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1662,1663, &end # # 104 TRP QB 101 LEU HA 5.50 (# 879:25) &rst ixpk= 879, nxpk= 25, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1662,1663, &end # # 88 VAL HA 89 PHE QB 5.50 (# 882:25) &rst ixpk= 882, nxpk= 25, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1415,1416, &end # # 88 VAL HA 88 VAL H 4.50 (# 883:25) &rst ixpk= 883, nxpk= 25, iat=1397,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 88 VAL HA 89 PHE H 5.50 (# 884:25) &rst ixpk= 884, nxpk= 25, iat=1397,1411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 88 VAL HA 91 GLU H 5.50 (# 885:25) &rst ixpk= 885, nxpk= 25, iat=1397,1452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 96 VAL HA 97 GLN H 5.50 (# 886:25) &rst ixpk= 886, nxpk= 25, iat=1527,1541, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 96 VAL HA 100 LEU H 5.50 (# 887:25) &rst ixpk= 887, nxpk= 25, iat=1527,1595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 96 VAL HA 99 GLU QG 5.50 (# 888:25) &rst ixpk= 888, nxpk= 25, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1587,1588, &end # # 96 VAL HA 100 LEU QB 5.50 (# 889:25) &rst ixpk= 889, nxpk= 25, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1599,1600, &end # # 96 VAL HA 95 ALA QB 5.50 (# 890:25) &rst ixpk= 890, nxpk= 25, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1519,1520,1521, &end # # 86 PRO HA 84 ILE QG2 5.50 (# 891:25) &rst ixpk= 891, nxpk= 25, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1339,1340,1341, &end # # 86 PRO HA 86 PRO QG 4.50 (# 892:25) &rst ixpk= 892, nxpk= 25, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1368,1369, &end # # 86 PRO HA 89 PHE QB 7.00 (# 893:25) &rst ixpk= 893, nxpk= 25, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1415,1416, &end # # 86 PRO HA 90 TYR QB 5.50 (# 894:25) &rst ixpk= 894, nxpk= 25, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1435,1436, &end # # 86 PRO HA 86 PRO QD 5.50 (# 895:25) &rst ixpk= 895, nxpk= 25, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1365,1366, &end # # 86 PRO HA 89 PHE H 5.50 (# 896:25) &rst ixpk= 896, nxpk= 25, iat=1374,1411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 86 PRO HA 87 GLN H 5.50 (# 897:25) &rst ixpk= 897, nxpk= 25, iat=1374,1378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 96 VAL HA 100 LEU QQD 7.00 (# 898:25) &rst ixpk= 898, nxpk= 25, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr2=1604,1605,1606,1608,1609,1610, &end # # 101 LEU HG 101 LEU H 4.50 (# 899:25) &rst ixpk= 899, nxpk= 25, iat=1621,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 101 LEU HG 101 LEU HA 4.50 (# 901:25) &rst ixpk= 901, nxpk= 25, iat=1621,1616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 101 LEU HG 101 LEU QQD 3.50 (# 902:25) &rst ixpk= 902, nxpk= 25, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1623,1624,1625,1627,1628,1629, &end # # 100 LEU HG 100 LEU QB 3.50 (# 903:25) &rst ixpk= 903, nxpk= 25, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1599,1600, &end # # 100 LEU HG 100 LEU QQD 3.50 (# 904:25) &rst ixpk= 904, nxpk= 25, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1604,1605,1606,1608,1609,1610, &end # # 100 LEU HG 100 LEU H 5.50 (# 905:25) &rst ixpk= 905, nxpk= 25, iat=1602,1595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 83 ASP QB 81 PRO QG 5.50 (# 906:25) &rst ixpk= 906, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1325,1326, igr2=1300,1301, &end # # 99 GLU QG 100 LEU QQD 7.00 (# 907:25) &rst ixpk= 907, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09, igr1=1587,1588, igr2=1604,1605,1606,1608,1609,1610, &end # # 84 ILE QG1 81 PRO QB 5.50 (# 909:25) &rst ixpk= 909, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1343,1344, igr2=1303,1304, &end # # 84 ILE HB 85 ASP QB 5.50 (# 910:25) &rst ixpk= 910, nxpk= 25, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1356,1357, &end # # 101 LEU HG 102 ALA H 5.50 (# 913:25) &rst ixpk= 913, nxpk= 25, iat=1621,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 92 LEU HG 92 LEU QQD 3.50 (# 919:25) &rst ixpk= 919, nxpk= 25, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1476,1477,1478,1480,1481,1482, &end # # 92 LEU HG 92 LEU QQD 3.50 (# 920:25) &rst ixpk= 920, nxpk= 25, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1476,1477,1478,1480,1481,1482, &end # # 92 LEU HG 92 LEU QQD 3.50 (# 921:25) &rst ixpk= 921, nxpk= 25, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2=1476,1477,1478,1480,1481,1482, &end # # 92 LEU HG 92 LEU H 4.50 (# 922:25) &rst ixpk= 922, nxpk= 25, iat=1474,1467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 SER QB 81 PRO HA 5.50 (# 926:25) &rst ixpk= 926, nxpk= 25, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1314,1315, &end # # 82 SER QB 83 ASP HA 5.50 (# 927:25) &rst ixpk= 927, nxpk= 25, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1314,1315, &end # # 82 SER QB 84 ILE H 5.50 (# 929:25) &rst ixpk= 929, nxpk= 25, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1314,1315, &end # # 89 PHE HA 84 ILE HB 7.00 (# 933:25) &rst ixpk= 933, nxpk= 25, iat=1413,1337, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 89 PHE HA 92 LEU HG 4.50 (# 934:25) &rst ixpk= 934, nxpk= 25, iat=1413,1474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 89 PHE HA 89 PHE QB 4.50 (# 935:25) &rst ixpk= 935, nxpk= 25, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1415,1416, &end # # 89 PHE HA 89 PHE QB 4.50 (# 936:25) &rst ixpk= 936, nxpk= 25, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1415,1416, &end # # 89 PHE HA 92 LEU H 4.50 (# 937:25) &rst ixpk= 937, nxpk= 25, iat=1413,1467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 89 PHE HA 89 PHE H 4.50 (# 938:25) &rst ixpk= 938, nxpk= 25, iat=1413,1411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 89 PHE HA 90 TYR H 5.50 (# 939:25) &rst ixpk= 939, nxpk= 25, iat=1413,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 81 PRO QG 81 PRO HA 4.50 (# 941:25) &rst ixpk= 941, nxpk= 25, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1300,1301, &end # # 81 PRO QB 81 PRO HA 4.50 (# 942:25) &rst ixpk= 942, nxpk= 25, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1303,1304, &end # # 81 PRO QB 81 PRO HA 3.50 (# 943:25) &rst ixpk= 943, nxpk= 25, iat= -1,1306, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1303,1304, &end # # 93 PRO HA 93 PRO QB 3.50 (# 944:25) &rst ixpk= 944, nxpk= 25, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1493,1494, &end # # 93 PRO HA 92 LEU QB 5.50 (# 945:25) &rst ixpk= 945, nxpk= 25, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1471,1472, &end # # 93 PRO HA 94 GLU H 4.50 (# 947:25) &rst ixpk= 947, nxpk= 25, iat=1496,1500, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 93 PRO QG 92 LEU QQD 4.50 (# 951:25) &rst ixpk= 951, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1490,1491, igr2=1476,1477,1478,1480,1481,1482, &end # # 100 LEU QB 97 GLN HA 5.50 (# 952:25) &rst ixpk= 952, nxpk= 25, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1599,1600, &end # # 97 GLN QB 97 GLN HA 4.50 (# 953:25) &rst ixpk= 953, nxpk= 25, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1545,1546, &end # # 84 ILE QD1 84 ILE QG1 3.50 (# 959:25) &rst ixpk= 959, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1346,1347,1348, igr2=1343,1344, &end # # 85 ASP QB 85 ASP HA 5.50 (# 960:25) &rst ixpk= 960, nxpk= 25, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1356,1357, &end # # 106 ARG QB 107 THR QG2 5.50 (# 964:25) &rst ixpk= 964, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1708,1709, igr2=1734,1735,1736, &end # # 106 ARG QG 106 ARG H 5.50 (# 965:25) &rst ixpk= 965, nxpk= 25, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1711,1712, &end # # 104 TRP HA 106 ARG QG 7.00 (# 966:25) &rst ixpk= 966, nxpk= 25, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1711,1712, &end # # 106 ARG QG 103 GLU HA 5.50 (# 967:25) &rst ixpk= 967, nxpk= 25, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1711,1712, &end # # 106 ARG QG 103 GLU HA 7.00 (# 968:25) &rst ixpk= 968, nxpk= 25, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1=1711,1712, &end # # 106 ARG HA 103 GLU HA 5.50 (# 969:25) &rst ixpk= 969, nxpk= 25, iat=1706,1645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 106 ARG HA 108 GLY QA 5.50 (# 970:25) &rst ixpk= 970, nxpk= 25, iat=1706, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1744,1745, &end # # 107 THR HA 103 GLU QB 7.00 (# 971:25) &rst ixpk= 971, nxpk= 25, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1647,1648, &end # # 107 THR HA 106 ARG QG 5.50 (# 972:25) &rst ixpk= 972, nxpk= 25, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1711,1712, &end # # 107 THR HA 103 GLU HA 7.00 (# 973:25) &rst ixpk= 973, nxpk= 25, iat=1730,1645, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 107 THR HA 108 GLY H 4.50 (# 974:25) &rst ixpk= 974, nxpk= 25, iat=1730,1742, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 107 THR HA 107 THR H 4.50 (# 975:25) &rst ixpk= 975, nxpk= 25, iat=1730,1728, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 107 THR QG2 106 ARG H 5.50 (# 976:25) &rst ixpk= 976, nxpk= 25, iat= -1,1704, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1734,1735,1736, &end # # 105 LYS QE 104 TRP QB 5.50 (# 977:25) &rst ixpk= 977, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1695,1696, igr2=1662,1663, &end # # 98 LYS QE 98 LYS HA 5.50 (# 978:25) &rst ixpk= 978, nxpk= 25, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1571,1572, &end # # 98 LYS QE 97 GLN HA 5.50 (# 980:25) &rst ixpk= 980, nxpk= 25, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1571,1572, &end # # 98 LYS QE 98 LYS H 7.00 (# 981:25) &rst ixpk= 981, nxpk= 25, iat= -1,1558, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1=1571,1572, &end # # 103 GLU QB 100 LEU QQD 5.50 (# 982:25) &rst ixpk= 982, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1647,1648, igr2=1604,1605,1606,1608,1609,1610, &end # # 103 GLU QG 100 LEU QQD 7.00 (# 983:25) &rst ixpk= 983, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09, igr1=1650,1651, igr2=1604,1605,1606,1608,1609,1610, &end # # 103 GLU QG 100 LEU HA 5.50 (# 984:25) &rst ixpk= 984, nxpk= 25, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1650,1651, &end # # 103 GLU QG 104 TRP HA 5.50 (# 985:25) &rst ixpk= 985, nxpk= 25, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1650,1651, &end # # 105 LYS QD 102 ALA HA 5.50 (# 986:25) &rst ixpk= 986, nxpk= 25, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1692,1693, &end # # 102 ALA QB 103 GLU QB 4.50 (# 987:25) &rst ixpk= 987, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1637,1638,1639, igr2=1647,1648, &end # # 102 ALA QB 101 LEU QB 5.50 (# 988:25) &rst ixpk= 988, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1637,1638,1639, igr2=1618,1619, &end # # 102 ALA QB 99 GLU QB 5.50 (# 989:25) &rst ixpk= 989, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1637,1638,1639, igr2=1584,1585, &end # # 102 ALA QB 105 LYS H 7.00 (# 990:25) &rst ixpk= 990, nxpk= 25, iat= -1,1682, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr1=1637,1638,1639, &end # # 91 GLU QG 88 VAL QQG 7.00 (# 992:25) &rst ixpk= 992, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09, igr1=1459,1460, igr2=1401,1402,1403,1405,1406,1407, &end # # 91 GLU QG 88 VAL QQG 7.00 (# 993:25) &rst ixpk= 993, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09, igr1=1459,1460, igr2=1401,1402,1403,1405,1406,1407, &end # # 90 TYR HA 91 GLU HA 5.50 (# 994:25) &rst ixpk= 994, nxpk= 25, iat=1433,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 89 PHE QB 89 PHE HA 3.50 (# 995:25) &rst ixpk= 995, nxpk= 25, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1415,1416, &end # # 88 VAL HB 90 TYR QB 7.00 (# 996:25) &rst ixpk= 996, nxpk= 25, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1435,1436, &end # # 87 GLN HA 88 VAL QQG 5.50 (# 997:25) &rst ixpk= 997, nxpk= 25, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1401,1402,1403,1405,1406,1407, &end # # 87 GLN HA 87 GLN QG 4.50 (# 998:25) &rst ixpk= 998, nxpk= 25, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1385,1386, &end # # 87 GLN QB 88 VAL QQG 5.50 (# 999:25) &rst ixpk= 999, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1382,1383, igr2=1401,1402,1403,1405,1406,1407, &end # # 87 GLN QG 86 PRO QB 5.50 (# 1000:25) &rst ixpk= 1000, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1385,1386, igr2=1371,1372, &end # # 86 PRO HA 88 VAL QQG 7.00 (# 1001:25) &rst ixpk= 1001, nxpk= 25, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr2=1401,1402,1403,1405,1406,1407, &end # # 86 PRO HA 90 TYR QD 5.50 (# 1002:25) &rst ixpk= 1002, nxpk= 25, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1439,1448, &end # # 86 PRO QB 86 PRO QD 4.50 (# 1004:25) &rst ixpk= 1004, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1371,1372, igr2=1365,1366, &end # # 86 PRO QB 90 TYR H 5.50 (# 1005:25) &rst ixpk= 1005, nxpk= 25, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1371,1372, &end # # 86 PRO QB 90 TYR QD 5.50 (# 1006:25) &rst ixpk= 1006, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1371,1372, igr2=1439,1448, &end # # 86 PRO QB 90 TYR QB 5.50 (# 1007:25) &rst ixpk= 1007, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1371,1372, igr2=1435,1436, &end # # 86 PRO QG 87 GLN H 5.50 (# 1008:25) &rst ixpk= 1008, nxpk= 25, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1368,1369, &end # # 86 PRO QG 85 ASP HA 7.00 (# 1009:25) &rst ixpk= 1009, nxpk= 25, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr1=1368,1369, &end # # 86 PRO QG 86 PRO QD 4.50 (# 1010:25) &rst ixpk= 1010, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1368,1369, igr2=1365,1366, &end # # 86 PRO QG 86 PRO QD 5.50 (# 1011:25) &rst ixpk= 1011, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1368,1369, igr2=1365,1366, &end # # 86 PRO QG 86 PRO HA 5.50 (# 1012:25) &rst ixpk= 1012, nxpk= 25, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1368,1369, &end # # 81 PRO QB 84 ILE QD1 7.00 (# 1013:25) &rst ixpk= 1013, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr1=1303,1304, igr2=1346,1347,1348, &end # # 93 PRO QG 92 LEU HA 5.50 (# 1016:25) &rst ixpk= 1016, nxpk= 25, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1490,1491, &end # # 93 PRO QG 92 LEU HA 5.50 (# 1017:25) &rst ixpk= 1017, nxpk= 25, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1490,1491, &end # # 93 PRO QG 93 PRO HA 5.50 (# 1018:25) &rst ixpk= 1018, nxpk= 25, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1490,1491, &end # # 93 PRO QG 93 PRO HA 5.50 (# 1019:25) &rst ixpk= 1019, nxpk= 25, iat= -1,1496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1490,1491, &end # # 93 PRO QG 96 VAL H 5.50 (# 1020:25) &rst ixpk= 1020, nxpk= 25, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1490,1491, &end # # 100 LEU QQD 96 VAL HB 4.50 (# 1023:25) &rst ixpk= 1023, nxpk= 25, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1604,1605,1606,1608,1609,1610, &end # # 100 LEU QQD 101 LEU HG 5.50 (# 1024:25) &rst ixpk= 1024, nxpk= 25, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1604,1605,1606,1608,1609,1610, &end # # 81 PRO HA 82 SER QB 5.50 (# 1025:25) &rst ixpk= 1025, nxpk= 25, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1314,1315, &end # # 82 SER HA 83 ASP H 4.50 (# 1026:25) &rst ixpk= 1026, nxpk= 25, iat=1312,1321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 SER HA 82 SER QB 3.50 (# 1027:25) &rst ixpk= 1027, nxpk= 25, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1314,1315, &end # # 96 VAL HA 99 GLU HA 7.00 (# 1028:25) &rst ixpk= 1028, nxpk= 25, iat=1527,1582, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 94 GLU QB 94 GLU H 4.50 (# 1029:25) &rst ixpk= 1029, nxpk= 25, iat= -1,1500, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1504,1505, &end # # 94 GLU QG 98 LYS QE 5.50 (# 1030:25) &rst ixpk= 1030, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1507,1508, igr2=1571,1572, &end # # 94 GLU QG 98 LYS QE 5.50 (# 1031:25) &rst ixpk= 1031, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1507,1508, igr2=1571,1572, &end # # 108 GLY H 104 TRP HA 4.50 (# 0:15) &rst ixpk= 0, nxpk= 15, iat=1742,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 TRP HE1 104 TRP HZ2 5.50 (# 1:15) &rst ixpk= 1, nxpk= 15, iat=1668,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 TRP HE1 104 TRP HD1 5.50 (# 2:15) &rst ixpk= 2, nxpk= 15, iat=1668,1666, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 85 ASP H 85 ASP HA 5.50 (# 3:15) &rst ixpk= 3, nxpk= 15, iat=1352,1354, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 85 ASP H 83 ASP HA 7.00 (# 4:15) &rst ixpk= 4, nxpk= 15, iat=1352,1323, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 85 ASP H 86 PRO QD 5.50 (# 5:15) &rst ixpk= 5, nxpk= 15, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1365,1366, &end # # 85 ASP H 84 ILE HA 4.50 (# 6:15) &rst ixpk= 6, nxpk= 15, iat=1352,1335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 85 ASP H 85 ASP QB 4.50 (# 7:15) &rst ixpk= 7, nxpk= 15, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1356,1357, &end # # 85 ASP H 85 ASP QB 4.50 (# 8:15) &rst ixpk= 8, nxpk= 15, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1356,1357, &end # # 85 ASP H 84 ILE HB 5.50 (# 9:15) &rst ixpk= 9, nxpk= 15, iat=1352,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 85 ASP H 88 VAL QQG 4.50 (# 10:15) &rst ixpk= 10, nxpk= 15, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1401,1402,1403,1405,1406,1407, &end # # 85 ASP H 84 ILE QG2 4.50 (# 11:15) &rst ixpk= 11, nxpk= 15, iat=1352, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1339,1340,1341, &end # # 94 GLU H 93 PRO HA 5.50 (# 12:15) &rst ixpk= 12, nxpk= 15, iat=1500,1496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 94 GLU H 94 GLU QB 5.50 (# 13:15) &rst ixpk= 13, nxpk= 15, iat=1500, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1504,1505, &end # # 94 GLU H 93 PRO QG 5.50 (# 14:15) &rst ixpk= 14, nxpk= 15, iat=1500, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1490,1491, &end # # 100 LEU H 103 GLU H 7.00 (# 15:15) &rst ixpk= 15, nxpk= 15, iat=1595,1643, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 100 LEU H 99 GLU H 4.50 (# 16:15) &rst ixpk= 16, nxpk= 15, iat=1595,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 100 LEU H 89 PHE QE 5.50 (# 17:15) &rst ixpk= 17, nxpk= 15, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1421,1425, &end # # 100 LEU H 99 GLU HA 5.50 (# 18:15) &rst ixpk= 18, nxpk= 15, iat=1595,1582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 100 LEU H 100 LEU HA 4.50 (# 19:15) &rst ixpk= 19, nxpk= 15, iat=1595,1597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 100 LEU H 99 GLU QB 4.50 (# 20:15) &rst ixpk= 20, nxpk= 15, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1584,1585, &end # # 100 LEU H 98 LYS QB 5.50 (# 21:15) &rst ixpk= 21, nxpk= 15, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1562,1563, &end # # 100 LEU H 100 LEU QB 3.50 (# 22:15) &rst ixpk= 22, nxpk= 15, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1599,1600, &end # # 100 LEU H 101 LEU QQD 4.50 (# 23:15) &rst ixpk= 23, nxpk= 15, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1623,1624,1625,1627,1628,1629, &end # # 100 LEU H 100 LEU QQD 7.00 (# 24:15) &rst ixpk= 24, nxpk= 15, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr2=1604,1605,1606,1608,1609,1610, &end # # 100 LEU H 100 LEU QB 5.50 (# 25:15) &rst ixpk= 25, nxpk= 15, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1599,1600, &end # # 103 GLU H 102 ALA HA 4.50 (# 26:15) &rst ixpk= 26, nxpk= 15, iat=1643,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 103 GLU H 103 GLU QG 4.50 (# 27:15) &rst ixpk= 27, nxpk= 15, iat=1643, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1650,1651, &end # # 103 GLU H 106 ARG QB 4.50 (# 28:15) &rst ixpk= 28, nxpk= 15, iat=1643, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1708,1709, &end # # 103 GLU H 102 ALA QB 4.50 (# 29:15) &rst ixpk= 29, nxpk= 15, iat=1643, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1637,1638,1639, &end # # 103 GLU H 104 TRP H 4.50 (# 30:15) &rst ixpk= 30, nxpk= 15, iat=1643,1658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 103 GLU H 102 ALA H 4.50 (# 31:15) &rst ixpk= 31, nxpk= 15, iat=1643,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 103 GLU H 105 LYS H 5.50 (# 32:15) &rst ixpk= 32, nxpk= 15, iat=1643,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 103 GLU H 101 LEU HG 5.50 (# 33:15) &rst ixpk= 33, nxpk= 15, iat=1643,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 103 GLU H 100 LEU QQD 5.50 (# 34:15) &rst ixpk= 34, nxpk= 15, iat=1643, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1604,1605,1606,1608,1609,1610, &end # # 103 GLU H 99 GLU HA 5.50 (# 35:15) &rst ixpk= 35, nxpk= 15, iat=1643,1582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 103 GLU H 100 LEU HA 5.50 (# 36:15) &rst ixpk= 36, nxpk= 15, iat=1643,1597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 103 GLU H 104 TRP QB 5.50 (# 37:15) &rst ixpk= 37, nxpk= 15, iat=1643, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1662,1663, &end # # 103 GLU H 104 TRP HA 7.00 (# 38:15) &rst ixpk= 38, nxpk= 15, iat=1643,1660, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 103 GLU H 101 LEU H 7.00 (# 39:15) &rst ixpk= 39, nxpk= 15, iat=1643,1614, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 99 GLU H 99 GLU HA 4.50 (# 40:15) &rst ixpk= 40, nxpk= 15, iat=1580,1582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 99 GLU H 96 VAL HA 4.50 (# 41:15) &rst ixpk= 41, nxpk= 15, iat=1580,1527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 99 GLU H 99 GLU QG 4.50 (# 42:15) &rst ixpk= 42, nxpk= 15, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1587,1588, &end # # 99 GLU H 99 GLU QB 4.50 (# 43:15) &rst ixpk= 43, nxpk= 15, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1584,1585, &end # # 99 GLU H 98 LYS QB 4.50 (# 44:15) &rst ixpk= 44, nxpk= 15, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1562,1563, &end # # 99 GLU H 98 LYS QG 5.50 (# 45:15) &rst ixpk= 45, nxpk= 15, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1565,1566, &end # # 99 GLU H 102 ALA QB 5.50 (# 46:15) &rst ixpk= 46, nxpk= 15, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1637,1638,1639, &end # # 99 GLU H 96 VAL QQG 5.50 (# 47:15) &rst ixpk= 47, nxpk= 15, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1531,1532,1533,1535,1536,1537, &end # # 99 GLU H 98 LYS H 4.50 (# 48:15) &rst ixpk= 48, nxpk= 15, iat=1580,1558, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 TRP H 105 LYS H 4.50 (# 49:15) &rst ixpk= 49, nxpk= 15, iat=1658,1682, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 TRP H 103 GLU H 4.50 (# 50:15) &rst ixpk= 50, nxpk= 15, iat=1658,1643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 TRP H 104 TRP HD1 4.50 (# 51:15) &rst ixpk= 51, nxpk= 15, iat=1658,1666, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 TRP H 104 TRP HA 5.50 (# 52:15) &rst ixpk= 52, nxpk= 15, iat=1658,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 TRP H 105 LYS HA 5.50 (# 53:15) &rst ixpk= 53, nxpk= 15, iat=1658,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 TRP H 103 GLU HA 5.50 (# 54:15) &rst ixpk= 54, nxpk= 15, iat=1658,1645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 TRP H 101 LEU HA 5.50 (# 55:15) &rst ixpk= 55, nxpk= 15, iat=1658,1616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 TRP H 104 TRP QB 4.50 (# 56:15) &rst ixpk= 56, nxpk= 15, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1662,1663, &end # # 104 TRP H 103 GLU QG 5.50 (# 57:15) &rst ixpk= 57, nxpk= 15, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1650,1651, &end # # 104 TRP H 103 GLU QB 4.50 (# 58:15) &rst ixpk= 58, nxpk= 15, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1647,1648, &end # # 104 TRP H 102 ALA QB 5.50 (# 59:15) &rst ixpk= 59, nxpk= 15, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1637,1638,1639, &end # # 80 PHE H 80 PHE QD 4.50 (# 60:15) &rst ixpk= 60, nxpk= 15, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1284,1292, &end # # 80 PHE H 79 MET HA 3.50 (# 61:15) &rst ixpk= 61, nxpk= 15, iat=1276,1261, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 80 PHE H 80 PHE QB 3.50 (# 62:15) &rst ixpk= 62, nxpk= 15, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1280,1281, &end # # 80 PHE H 81 PRO QD 5.50 (# 63:15) &rst ixpk= 63, nxpk= 15, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1297,1298, &end # # 80 PHE H 79 MET QB 4.50 (# 64:15) &rst ixpk= 64, nxpk= 15, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1263,1264, &end # # 106 ARG H 104 TRP HA 5.50 (# 65:15) &rst ixpk= 65, nxpk= 15, iat=1704,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 106 ARG H 106 ARG HA 4.50 (# 66:15) &rst ixpk= 66, nxpk= 15, iat=1704,1706, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 106 ARG H 103 GLU HA 5.50 (# 67:15) &rst ixpk= 67, nxpk= 15, iat=1704,1645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 106 ARG H 104 TRP QB 7.00 (# 68:15) &rst ixpk= 68, nxpk= 15, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1662,1663, &end # # 106 ARG H 106 ARG QB 3.50 (# 69:15) &rst ixpk= 69, nxpk= 15, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1708,1709, &end # # 106 ARG H 106 ARG QG 5.50 (# 70:15) &rst ixpk= 70, nxpk= 15, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1711,1712, &end # # 92 LEU H 90 TYR HA 5.50 (# 71:15) &rst ixpk= 71, nxpk= 15, iat=1467,1433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 92 LEU H 92 LEU HA 5.50 (# 72:15) &rst ixpk= 72, nxpk= 15, iat=1467,1469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 92 LEU H 92 LEU HG 4.50 (# 73:15) &rst ixpk= 73, nxpk= 15, iat=1467,1474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 92 LEU H 92 LEU QB 5.50 (# 74:15) &rst ixpk= 74, nxpk= 15, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1471,1472, &end # # 92 LEU H 92 LEU QB 5.50 (# 75:15) &rst ixpk= 75, nxpk= 15, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1471,1472, &end # # 92 LEU H 92 LEU QQD 4.50 (# 76:15) &rst ixpk= 76, nxpk= 15, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1476,1477,1478,1480,1481,1482, &end # # 92 LEU H 92 LEU QQD 5.50 (# 77:15) &rst ixpk= 77, nxpk= 15, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1476,1477,1478,1480,1481,1482, &end # # 92 LEU H 91 GLU H 4.50 (# 78:15) &rst ixpk= 78, nxpk= 15, iat=1467,1452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 89 PHE H 89 PHE QD 4.50 (# 79:15) &rst ixpk= 79, nxpk= 15, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1419,1427, &end # # 89 PHE H 88 VAL HA 4.50 (# 80:15) &rst ixpk= 80, nxpk= 15, iat=1411,1397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 89 PHE H 90 TYR QB 4.50 (# 81:15) &rst ixpk= 81, nxpk= 15, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1435,1436, &end # # 89 PHE H 89 PHE QB 4.50 (# 82:15) &rst ixpk= 82, nxpk= 15, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1415,1416, &end # # 89 PHE H 88 VAL HB 4.50 (# 83:15) &rst ixpk= 83, nxpk= 15, iat=1411,1399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 102 ALA H 98 LYS QG 5.50 (# 84:15) &rst ixpk= 84, nxpk= 15, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1565,1566, &end # # 89 PHE H 88 VAL QQG 4.50 (# 85:15) &rst ixpk= 85, nxpk= 15, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1401,1402,1403,1405,1406,1407, &end # # 89 PHE H 90 TYR H 5.50 (# 86:15) &rst ixpk= 86, nxpk= 15, iat=1411,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 95 ALA H 96 VAL H 5.50 (# 87:15) &rst ixpk= 87, nxpk= 15, iat=1515,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 95 ALA H 95 ALA HA 4.50 (# 89:15) &rst ixpk= 89, nxpk= 15, iat=1515,1517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 95 ALA H 94 GLU QB 5.50 (# 90:15) &rst ixpk= 90, nxpk= 15, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1504,1505, &end # # 95 ALA H 94 GLU QB 5.50 (# 91:15) &rst ixpk= 91, nxpk= 15, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1504,1505, &end # # 95 ALA H 93 PRO QB 4.50 (# 92:15) &rst ixpk= 92, nxpk= 15, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1493,1494, &end # # 95 ALA H 95 ALA QB 4.50 (# 93:15) &rst ixpk= 93, nxpk= 15, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1519,1520,1521, &end # # 95 ALA H 96 VAL QQG 7.00 (# 94:15) &rst ixpk= 94, nxpk= 15, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr2=1531,1532,1533,1535,1536,1537, &end # # 84 ILE H 83 ASP HA 4.50 (# 95:15) &rst ixpk= 95, nxpk= 15, iat=1333,1323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 84 ILE H 84 ILE HA 4.50 (# 96:15) &rst ixpk= 96, nxpk= 15, iat=1333,1335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 84 ILE H 83 ASP QB 5.50 (# 97:15) &rst ixpk= 97, nxpk= 15, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1325,1326, &end # # 84 ILE H 83 ASP QB 5.50 (# 98:15) &rst ixpk= 98, nxpk= 15, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1325,1326, &end # # 84 ILE H 84 ILE HB 4.50 (# 99:15) &rst ixpk= 99, nxpk= 15, iat=1333,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 84 ILE H 81 PRO QB 5.50 (# 100:15) &rst ixpk= 100, nxpk= 15, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1303,1304, &end # # 84 ILE H 84 ILE QG1 4.50 (# 101:15) &rst ixpk= 101, nxpk= 15, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1343,1344, &end # # 84 ILE H 81 PRO QG 4.50 (# 102:15) &rst ixpk= 102, nxpk= 15, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1300,1301, &end # # 84 ILE H 84 ILE QG2 4.50 (# 103:15) &rst ixpk= 103, nxpk= 15, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1339,1340,1341, &end # # 84 ILE H 85 ASP H 5.50 (# 104:15) &rst ixpk= 104, nxpk= 15, iat=1333,1352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 84 ILE H 83 ASP H 4.50 (# 105:15) &rst ixpk= 105, nxpk= 15, iat=1333,1321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 91 GLU H 92 LEU H 4.50 (# 106:15) &rst ixpk= 106, nxpk= 15, iat=1452,1467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 91 GLU H 90 TYR HA 5.50 (# 107:15) &rst ixpk= 107, nxpk= 15, iat=1452,1433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 91 GLU H 91 GLU HA 4.50 (# 108:15) &rst ixpk= 108, nxpk= 15, iat=1452,1454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 91 GLU H 88 VAL HA 5.50 (# 109:15) &rst ixpk= 109, nxpk= 15, iat=1452,1397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 91 GLU H 91 GLU QG 4.50 (# 110:15) &rst ixpk= 110, nxpk= 15, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1459,1460, &end # # 91 GLU H 87 GLN QB 5.50 (# 111:15) &rst ixpk= 111, nxpk= 15, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1382,1383, &end # # 91 GLU H 91 GLU QB 4.50 (# 112:15) &rst ixpk= 112, nxpk= 15, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1456,1457, &end # # 91 GLU H 88 VAL QQG 5.50 (# 113:15) &rst ixpk= 113, nxpk= 15, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1401,1402,1403,1405,1406,1407, &end # # 88 VAL H 87 GLN HA 5.50 (# 114:15) &rst ixpk= 114, nxpk= 15, iat=1395,1380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 88 VAL H 88 VAL HA 4.50 (# 115:15) &rst ixpk= 115, nxpk= 15, iat=1395,1397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 88 VAL H 89 PHE QB 4.50 (# 116:15) &rst ixpk= 116, nxpk= 15, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1415,1416, &end # # 88 VAL H 87 GLN QG 5.50 (# 117:15) &rst ixpk= 117, nxpk= 15, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1385,1386, &end # # 88 VAL H 87 GLN QB 4.50 (# 118:15) &rst ixpk= 118, nxpk= 15, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1382,1383, &end # # 88 VAL H 88 VAL QQG 4.50 (# 119:15) &rst ixpk= 119, nxpk= 15, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1401,1402,1403,1405,1406,1407, &end # # 88 VAL H 87 GLN H 4.50 (# 120:15) &rst ixpk= 120, nxpk= 15, iat=1395,1378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 SER H 81 PRO QG 5.50 (# 121:15) &rst ixpk= 121, nxpk= 15, iat=1310, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1300,1301, &end # # 82 SER H 81 PRO QB 5.50 (# 122:15) &rst ixpk= 122, nxpk= 15, iat=1310, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1303,1304, &end # # 82 SER H 81 PRO QB 5.50 (# 123:15) &rst ixpk= 123, nxpk= 15, iat=1310, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1303,1304, &end # # 82 SER H 82 SER QB 4.50 (# 124:15) &rst ixpk= 124, nxpk= 15, iat=1310, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1314,1315, &end # # 82 SER H 82 SER HA 4.50 (# 125:15) &rst ixpk= 125, nxpk= 15, iat=1310,1312, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 82 SER H 81 PRO HA 4.50 (# 126:15) &rst ixpk= 126, nxpk= 15, iat=1310,1306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 83 ASP H 84 ILE QG2 7.00 (# 127:15) &rst ixpk= 127, nxpk= 15, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2=1339,1340,1341, &end # # 83 ASP H 81 PRO QG 7.00 (# 128:15) &rst ixpk= 128, nxpk= 15, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1300,1301, &end # # 83 ASP H 84 ILE QG1 5.50 (# 129:15) &rst ixpk= 129, nxpk= 15, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1343,1344, &end # # 104 TRP HE1 104 TRP HH2 5.50 (# 130:15) &rst ixpk= 130, nxpk= 15, iat=1668,1673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 83 ASP H 81 PRO QB 5.50 (# 131:15) &rst ixpk= 131, nxpk= 15, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1303,1304, &end # # 83 ASP H 83 ASP QB 4.50 (# 132:15) &rst ixpk= 132, nxpk= 15, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1325,1326, &end # # 83 ASP H 83 ASP QB 5.50 (# 133:15) &rst ixpk= 133, nxpk= 15, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1325,1326, &end # # 83 ASP H 82 SER QB 4.50 (# 134:15) &rst ixpk= 134, nxpk= 15, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1314,1315, &end # # 83 ASP H 82 SER HA 4.50 (# 135:15) &rst ixpk= 135, nxpk= 15, iat=1321,1312, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 83 ASP H 81 PRO HA 5.50 (# 136:15) &rst ixpk= 136, nxpk= 15, iat=1321,1306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 83 ASP H 83 ASP HA 4.50 (# 137:15) &rst ixpk= 137, nxpk= 15, iat=1321,1323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 83 ASP H 84 ILE H 4.50 (# 138:15) &rst ixpk= 138, nxpk= 15, iat=1321,1333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 84 ILE H 81 PRO HA 7.00 (# 139:15) &rst ixpk= 139, nxpk= 15, iat=1333,1306, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 85 ASP H 84 ILE H 5.50 (# 142:15) &rst ixpk= 142, nxpk= 15, iat=1352,1333, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 87 GLN H 88 VAL QQG 4.50 (# 143:15) &rst ixpk= 143, nxpk= 15, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1401,1402,1403,1405,1406,1407, &end # # 87 GLN H 86 PRO QG 5.50 (# 144:15) &rst ixpk= 144, nxpk= 15, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1368,1369, &end # # 87 GLN H 86 PRO QB 4.50 (# 145:15) &rst ixpk= 145, nxpk= 15, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1371,1372, &end # # 87 GLN H 87 GLN QB 3.50 (# 146:15) &rst ixpk= 146, nxpk= 15, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1382,1383, &end # # 87 GLN H 87 GLN QG 5.50 (# 147:15) &rst ixpk= 147, nxpk= 15, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1385,1386, &end # # 87 GLN H 87 GLN QG 5.50 (# 148:15) &rst ixpk= 148, nxpk= 15, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1385,1386, &end # # 87 GLN H 86 PRO HA 5.50 (# 149:15) &rst ixpk= 149, nxpk= 15, iat=1378,1374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 87 GLN H 86 PRO QD 5.50 (# 150:15) &rst ixpk= 150, nxpk= 15, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1365,1366, &end # # 87 GLN H 87 GLN HA 4.50 (# 151:15) &rst ixpk= 151, nxpk= 15, iat=1378,1380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 87 GLN H 86 PRO QD 5.50 (# 152:15) &rst ixpk= 152, nxpk= 15, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1365,1366, &end # # 87 GLN H 88 VAL H 4.50 (# 153:15) &rst ixpk= 153, nxpk= 15, iat=1378,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 87 GLN H 89 PHE H 5.50 (# 154:15) &rst ixpk= 154, nxpk= 15, iat=1378,1411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 88 VAL H 89 PHE QB 5.50 (# 155:15) &rst ixpk= 155, nxpk= 15, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1415,1416, &end # # 88 VAL H 89 PHE H 4.50 (# 156:15) &rst ixpk= 156, nxpk= 15, iat=1395,1411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 88 VAL H 90 TYR H 5.50 (# 157:15) &rst ixpk= 157, nxpk= 15, iat=1395,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 89 PHE H 84 ILE QD1 7.00 (# 158:15) &rst ixpk= 158, nxpk= 15, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91, igr2=1346,1347,1348, &end # # 102 ALA H 101 LEU QQD 5.50 (# 159:15) &rst ixpk= 159, nxpk= 15, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1623,1624,1625,1627,1628,1629, &end # # 104 TRP H 101 LEU QB 5.50 (# 160:15) &rst ixpk= 160, nxpk= 15, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1618,1619, &end # # 104 TRP H 103 GLU QB 4.50 (# 161:15) &rst ixpk= 161, nxpk= 15, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1647,1648, &end # # 89 PHE H 88 VAL H 4.50 (# 162:15) &rst ixpk= 162, nxpk= 15, iat=1411,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 TRP H 103 GLU H 4.50 (# 163:15) &rst ixpk= 163, nxpk= 15, iat=1658,1643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 TRP H 101 LEU H 4.50 (# 164:15) &rst ixpk= 164, nxpk= 15, iat=1658,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 90 TYR H 88 VAL QQG 5.50 (# 166:15) &rst ixpk= 166, nxpk= 15, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1401,1402,1403,1405,1406,1407, &end # # 90 TYR H 86 PRO QB 5.50 (# 167:15) &rst ixpk= 167, nxpk= 15, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1371,1372, &end # # 90 TYR H 87 GLN QB 5.50 (# 168:15) &rst ixpk= 168, nxpk= 15, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1382,1383, &end # # 90 TYR H 89 PHE QB 5.50 (# 169:15) &rst ixpk= 169, nxpk= 15, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1415,1416, &end # # 90 TYR H 90 TYR QB 4.50 (# 170:15) &rst ixpk= 170, nxpk= 15, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1435,1436, &end # # 90 TYR H 90 TYR QB 4.50 (# 171:15) &rst ixpk= 171, nxpk= 15, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1435,1436, &end # # 90 TYR H 88 VAL HA 4.50 (# 172:15) &rst ixpk= 172, nxpk= 15, iat=1431,1397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 90 TYR H 91 GLU HA 5.50 (# 173:15) &rst ixpk= 173, nxpk= 15, iat=1431,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 90 TYR H 90 TYR HA 4.50 (# 174:15) &rst ixpk= 174, nxpk= 15, iat=1431,1433, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 90 TYR H 89 PHE QD 4.50 (# 175:15) &rst ixpk= 175, nxpk= 15, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1419,1427, &end # # 90 TYR H 90 TYR QE 7.00 (# 176:15) &rst ixpk= 176, nxpk= 15, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1441,1446, &end # # 90 TYR H 92 LEU H 5.50 (# 177:15) &rst ixpk= 177, nxpk= 15, iat=1431,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 90 TYR H 90 TYR QD 4.50 (# 178:15) &rst ixpk= 178, nxpk= 15, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1439,1448, &end # # 90 TYR H 89 PHE H 4.50 (# 179:15) &rst ixpk= 179, nxpk= 15, iat=1431,1411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 91 GLU H 92 LEU QQD 7.00 (# 180:15) &rst ixpk= 180, nxpk= 15, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr2=1476,1477,1478,1480,1481,1482, &end # # 91 GLU H 91 GLU QG 4.50 (# 181:15) &rst ixpk= 181, nxpk= 15, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1459,1460, &end # # 91 GLU H 90 TYR QB 5.50 (# 182:15) &rst ixpk= 182, nxpk= 15, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1435,1436, &end # # 91 GLU H 90 TYR H 4.50 (# 183:15) &rst ixpk= 183, nxpk= 15, iat=1452,1431, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 92 LEU H 97 GLN QE2 5.50 (# 184:15) &rst ixpk= 184, nxpk= 15, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1553,1554, &end # # 92 LEU H 90 TYR H 5.50 (# 185:15) &rst ixpk= 185, nxpk= 15, iat=1467,1431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 94 GLU H 93 PRO QB 7.00 (# 186:15) &rst ixpk= 186, nxpk= 15, iat=1500, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1493,1494, &end # # 94 GLU H 94 GLU HA 7.00 (# 187:15) &rst ixpk= 187, nxpk= 15, iat=1500,1502, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 95 ALA H 94 GLU HA 7.00 (# 188:15) &rst ixpk= 188, nxpk= 15, iat=1515,1502, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 96 VAL H 100 LEU QQD 7.00 (# 189:15) &rst ixpk= 189, nxpk= 15, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr2=1604,1605,1606,1608,1609,1610, &end # # 96 VAL H 96 VAL QQG 4.50 (# 190:15) &rst ixpk= 190, nxpk= 15, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1531,1532,1533,1535,1536,1537, &end # # 96 VAL H 95 ALA QB 4.50 (# 191:15) &rst ixpk= 191, nxpk= 15, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1519,1520,1521, &end # # 96 VAL H 96 VAL HB 4.50 (# 192:15) &rst ixpk= 192, nxpk= 15, iat=1525,1529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 96 VAL H 99 GLU QB 5.50 (# 193:15) &rst ixpk= 193, nxpk= 15, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1584,1585, &end # # 96 VAL H 93 PRO QB 5.50 (# 194:15) &rst ixpk= 194, nxpk= 15, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1493,1494, &end # # 96 VAL H 93 PRO QD 5.50 (# 195:15) &rst ixpk= 195, nxpk= 15, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1487,1488, &end # # 96 VAL H 96 VAL HA 5.50 (# 196:15) &rst ixpk= 196, nxpk= 15, iat=1525,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 96 VAL H 95 ALA HA 5.50 (# 197:15) &rst ixpk= 197, nxpk= 15, iat=1525,1517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 96 VAL H 97 GLN H 4.50 (# 198:15) &rst ixpk= 198, nxpk= 15, iat=1525,1541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 96 VAL H 98 LYS H 5.50 (# 199:15) &rst ixpk= 199, nxpk= 15, iat=1525,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 96 VAL H 95 ALA H 5.50 (# 200:15) &rst ixpk= 200, nxpk= 15, iat=1525,1515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 97 GLN H 97 GLN QG 4.50 (# 201:15) &rst ixpk= 201, nxpk= 15, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1548,1549, &end # # 97 GLN H 96 VAL QQG 4.50 (# 202:15) &rst ixpk= 202, nxpk= 15, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr2=1531,1532,1533,1535,1536,1537, &end # # 97 GLN H 100 LEU QB 5.50 (# 203:15) &rst ixpk= 203, nxpk= 15, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1599,1600, &end # # 105 LYS H 105 LYS QD 4.50 (# 204:15) &rst ixpk= 204, nxpk= 15, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1692,1693, &end # # 105 LYS H 105 LYS QB 3.50 (# 205:15) &rst ixpk= 205, nxpk= 15, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1686,1687, &end # # 105 LYS H 104 TRP QB 4.50 (# 206:15) &rst ixpk= 206, nxpk= 15, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1662,1663, &end # # 97 GLN H 97 GLN HA 4.50 (# 207:15) &rst ixpk= 207, nxpk= 15, iat=1541,1543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 97 GLN H 94 GLU HA 5.50 (# 208:15) &rst ixpk= 208, nxpk= 15, iat=1541,1502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 97 GLN H 98 LYS HA 5.50 (# 209:15) &rst ixpk= 209, nxpk= 15, iat=1541,1560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 105 LYS H 102 ALA HA 5.50 (# 210:15) &rst ixpk= 210, nxpk= 15, iat=1682,1635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 105 LYS H 105 LYS HA 4.50 (# 211:15) &rst ixpk= 211, nxpk= 15, iat=1682,1684, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 97 GLN H 96 VAL H 4.50 (# 212:15) &rst ixpk= 212, nxpk= 15, iat=1541,1525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 105 LYS H 104 TRP HD1 7.00 (# 213:15) &rst ixpk= 213, nxpk= 15, iat=1682,1666, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 97 GLN H 99 GLU H 5.50 (# 214:15) &rst ixpk= 214, nxpk= 15, iat=1541,1580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 105 LYS H 104 TRP H 4.50 (# 215:15) &rst ixpk= 215, nxpk= 15, iat=1682,1658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 98 LYS H 96 VAL QQG 5.50 (# 216:15) &rst ixpk= 216, nxpk= 15, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1531,1532,1533,1535,1536,1537, &end # # 98 LYS H 98 LYS QG 4.50 (# 217:15) &rst ixpk= 217, nxpk= 15, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1565,1566, &end # # 98 LYS H 98 LYS QD 4.50 (# 218:15) &rst ixpk= 218, nxpk= 15, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1568,1569, &end # # 98 LYS H 98 LYS QB 3.50 (# 219:15) &rst ixpk= 219, nxpk= 15, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1562,1563, &end # # 98 LYS H 97 GLN QB 4.50 (# 220:15) &rst ixpk= 220, nxpk= 15, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1545,1546, &end # # 98 LYS H 97 GLN HA 5.50 (# 221:15) &rst ixpk= 221, nxpk= 15, iat=1558,1543, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 98 LYS H 94 GLU HA 5.50 (# 222:15) &rst ixpk= 222, nxpk= 15, iat=1558,1502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 98 LYS H 98 LYS HA 4.50 (# 223:15) &rst ixpk= 223, nxpk= 15, iat=1558,1560, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 98 LYS H 95 ALA HA 5.50 (# 224:15) &rst ixpk= 224, nxpk= 15, iat=1558,1517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 98 LYS H 96 VAL H 5.50 (# 225:15) &rst ixpk= 225, nxpk= 15, iat=1558,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 98 LYS H 89 PHE QE 5.50 (# 226:15) &rst ixpk= 226, nxpk= 15, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1421,1425, &end # # 98 LYS H 99 GLU H 4.50 (# 227:15) &rst ixpk= 227, nxpk= 15, iat=1558,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 98 LYS H 97 GLN H 4.50 (# 228:15) &rst ixpk= 228, nxpk= 15, iat=1558,1541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 99 GLU H 100 LEU QQD 5.50 (# 229:15) &rst ixpk= 229, nxpk= 15, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1604,1605,1606,1608,1609,1610, &end # # 100 LEU H 96 VAL HA 7.00 (# 230:15) &rst ixpk= 230, nxpk= 15, iat=1595,1527, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end # # 101 LEU H 100 LEU QB 5.50 (# 231:15) &rst ixpk= 231, nxpk= 15, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1599,1600, &end # # 101 LEU H 100 LEU QQD 7.00 (# 232:15) &rst ixpk= 232, nxpk= 15, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr2=1604,1605,1606,1608,1609,1610, &end # # 101 LEU H 101 LEU HG 4.50 (# 233:15) &rst ixpk= 233, nxpk= 15, iat=1614,1621, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 101 LEU H 102 ALA QB 4.50 (# 234:15) &rst ixpk= 234, nxpk= 15, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr2=1637,1638,1639, &end # # 101 LEU H 101 LEU QB 4.50 (# 235:15) &rst ixpk= 235, nxpk= 15, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1618,1619, &end # # 101 LEU H 103 GLU QB 5.50 (# 236:15) &rst ixpk= 236, nxpk= 15, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1647,1648, &end # # 101 LEU H 100 LEU HA 5.50 (# 237:15) &rst ixpk= 237, nxpk= 15, iat=1614,1597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 101 LEU H 101 LEU HA 4.50 (# 238:15) &rst ixpk= 238, nxpk= 15, iat=1614,1616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 101 LEU H 89 PHE QE 4.50 (# 239:15) &rst ixpk= 239, nxpk= 15, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1421,1425, &end # # 101 LEU H 102 ALA H 4.50 (# 240:15) &rst ixpk= 240, nxpk= 15, iat=1614,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 102 ALA H 102 ALA QB 3.50 (# 241:15) &rst ixpk= 241, nxpk= 15, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2=1637,1638,1639, &end # # 102 ALA H 101 LEU HA 4.50 (# 242:15) &rst ixpk= 242, nxpk= 15, iat=1633,1616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 102 ALA H 102 ALA HA 4.50 (# 243:15) &rst ixpk= 243, nxpk= 15, iat=1633,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 TRP H 102 ALA H 5.50 (# 244:15) &rst ixpk= 244, nxpk= 15, iat=1658,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 97 GLN H 98 LYS H 4.50 (# 245:15) &rst ixpk= 245, nxpk= 15, iat=1541,1558, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 106 ARG H 107 THR H 5.50 (# 246:15) &rst ixpk= 246, nxpk= 15, iat=1704,1728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 107 THR H 107 THR QG2 5.50 (# 247:15) &rst ixpk= 247, nxpk= 15, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1734,1735,1736, &end # # 107 THR H 106 ARG QB 5.50 (# 248:15) &rst ixpk= 248, nxpk= 15, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1708,1709, &end # # 107 THR H 107 THR HB 4.50 (# 249:15) &rst ixpk= 249, nxpk= 15, iat=1728,1732, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 107 THR H 104 TRP HA 4.50 (# 250:15) &rst ixpk= 250, nxpk= 15, iat=1728,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 107 THR H 106 ARG H 4.50 (# 251:15) &rst ixpk= 251, nxpk= 15, iat=1728,1704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 107 THR H 108 GLY H 5.50 (# 252:15) &rst ixpk= 252, nxpk= 15, iat=1728,1742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 108 GLY H 107 THR QG2 5.50 (# 253:15) &rst ixpk= 253, nxpk= 15, iat=1742, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1734,1735,1736, &end # # 108 GLY H 106 ARG QB 5.50 (# 254:15) &rst ixpk= 254, nxpk= 15, iat=1742, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1708,1709, &end # # 108 GLY H 108 GLY QA 3.50 (# 255:15) &rst ixpk= 255, nxpk= 15, iat=1742, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1744,1745, &end # # 108 GLY H 107 THR HA 4.50 (# 256:15) &rst ixpk= 256, nxpk= 15, iat=1742,1730, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 104 TRP HE1 100 LEU QQD 5.50 (# 257:15) &rst ixpk= 257, nxpk= 15, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1604,1605,1606,1608,1609,1610, &end # # 104 TRP HE1 100 LEU HG 5.50 (# 258:15) &rst ixpk= 258, nxpk= 15, iat=1668,1602, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 104 TRP HE1 101 LEU QQD 7.00 (# 259:15) &rst ixpk= 259, nxpk= 15, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94, igr2=1623,1624,1625,1627,1628,1629, &end # # 104 TRP HE1 103 GLU QB 7.00 (# 260:15) &rst ixpk= 260, nxpk= 15, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36, igr2=1647,1648, &end # # 104 TRP HE1 104 TRP QB 5.50 (# 261:15) &rst ixpk= 261, nxpk= 15, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1662,1663, &end # # 104 TRP HE1 104 TRP HA 5.50 (# 262:15) &rst ixpk= 262, nxpk= 15, iat=1668,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 87 GLN QE2 88 VAL QQG 5.50 (# 263:15) &rst ixpk= 263, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1390,1391, igr2=1401,1402,1403,1405,1406,1407, &end # # 87 GLN QE2 87 GLN QB 5.50 (# 264:15) &rst ixpk= 264, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1390,1391, igr2=1382,1383, &end # # 87 GLN QE2 87 GLN QG 3.50 (# 265:15) &rst ixpk= 265, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1390,1391, igr2=1385,1386, &end # # 87 GLN QE2 87 GLN QG 3.50 (# 266:15) &rst ixpk= 266, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1390,1391, igr2=1385,1386, &end # # 87 GLN QE2 87 GLN QG 3.50 (# 268:15) &rst ixpk= 268, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1390,1391, igr2=1385,1386, &end # # 87 GLN QE2 87 GLN QG 3.50 (# 269:15) &rst ixpk= 269, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1390,1391, igr2=1385,1386, &end # # 83 ASP H 81 PRO QB 5.50 (# 271:15) &rst ixpk= 271, nxpk= 15, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1303,1304, &end # # 90 TYR H 91 GLU H 4.50 (# 272:15) &rst ixpk= 272, nxpk= 15, iat=1431,1452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 91 GLU H 92 LEU QB 5.50 (# 273:15) &rst ixpk= 273, nxpk= 15, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1471,1472, &end # # 100 LEU H 99 GLU QB 4.50 (# 274:15) &rst ixpk= 274, nxpk= 15, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1584,1585, &end # # 99 GLU H 99 GLU QB 4.50 (# 275:15) &rst ixpk= 275, nxpk= 15, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1584,1585, &end # # 97 GLN QE2 96 VAL HB 5.50 (# 276:15) &rst ixpk= 276, nxpk= 15, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1553,1554, &end # # 97 GLN QE2 97 GLN QG 4.50 (# 277:15) &rst ixpk= 277, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1553,1554, igr2=1548,1549, &end # # 97 GLN QE2 97 GLN QG 4.50 (# 278:15) &rst ixpk= 278, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1553,1554, igr2=1548,1549, &end # # 97 GLN QE2 94 GLU HA 5.50 (# 279:15) &rst ixpk= 279, nxpk= 15, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1553,1554, &end # # 97 GLN QE2 90 TYR HA 5.50 (# 280:15) &rst ixpk= 280, nxpk= 15, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1553,1554, &end # # 97 GLN QE2 97 GLN QG 4.50 (# 281:15) &rst ixpk= 281, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1553,1554, igr2=1548,1549, &end # # 97 GLN QE2 92 LEU QB 5.50 (# 282:15) &rst ixpk= 282, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1553,1554, igr2=1471,1472, &end # # 97 GLN QE2 97 GLN QG 5.50 (# 283:15) &rst ixpk= 283, nxpk= 15, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1553,1554, igr2=1548,1549, &end # # 97 GLN QE2 96 VAL HB 5.50 (# 284:15) &rst ixpk= 284, nxpk= 15, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1553,1554, &end # # 97 GLN QE2 94 GLU HA 5.50 (# 285:15) &rst ixpk= 285, nxpk= 15, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1553,1554, &end # # 97 GLN QE2 90 TYR HA 5.50 (# 286:15) &rst ixpk= 286, nxpk= 15, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1553,1554, &end
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