NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
488380 |
2l3c   |
cing | 1-original | 5 | AMBER | distance | hydrogen bond | simple |
#
# 75 RG5 H21 108 RC3 O2 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1178,2230, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
&end
#
# 75 RG5 N2 108 RC3 O2 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1177,2230, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 75 RG5 H1 108 RC3 N3 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1175,2228, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 75 RG5 N1 108 RC3 N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1174,2228, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 75 RG5 O6 108 RC3 H41 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1173,2226, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 75 RG5 O6 108 RC3 N4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1173,2225, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 76 RG H21 107 RC O2 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1212,2199, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 76 RG N2 107 RC O2 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1211,2199, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 76 RG H1 107 RC N3 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1209,2197, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 76 RG N1 107 RC N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1208,2197, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 76 RG O6 107 RC H41 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1207,2195, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 76 RG O6 107 RC N4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1207,2194, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 77 RU H3 106 RA N1 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1243,2164, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 77 RU N3 106 RA N1 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1242,2164, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 77 RU O4 106 RA H61 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1241,2162, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 77 RU O4 106 RA N6 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1241,2161, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 78 RA N1 105 RU H3 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1274,2133, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 78 RA N1 105 RU N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1274,2132, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 78 RA H61 105 RU O4 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1272,2131, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 78 RA N6 105 RU O4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1271,2131, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 79 RG H1 104 RG O6 1.80 2.00
# &rst
# ixpk= 0, nxpk= 0, iat=1306,2097, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 79 RG N1 104 RG O6 2.70 3.00
# &rst
# ixpk= 0, nxpk= 0, iat=1305,2097, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 79 RG O6 104 RG H1 1.80 2.00
# &rst
# ixpk= 0, nxpk= 0, iat=1304,2099, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 79 RG O6 104 RG N1 2.70 3.00
# &rst
# ixpk= 0, nxpk= 0, iat=1304,2098, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 80 RU H3 103 RA N1 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1340,2067, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 80 RU N3 103 RA N1 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1339,2067, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 80 RU O4 103 RA H61 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1338,2065, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 80 RU O4 103 RA N6 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1338,2064, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 81 RA N1 102 RU H3 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1371,2036, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 81 RA N1 102 RU N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1371,2035, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 81 RA H61 102 RU O4 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1369,2034, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 81 RA N6 102 RU O4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1368,2034, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 82 RU H3 101 RA N1 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1403,2004, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 82 RU N3 101 RA N1 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1402,2004, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 82 RU O4 101 RA H61 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1401,2002, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 82 RU O4 101 RA N6 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1401,2001, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 83 RA N1 100 RU H3 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1434,1973, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 83 RA N1 100 RU N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1434,1972, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 83 RA H61 100 RU O4 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1432,1971, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 83 RA N6 100 RU O4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1431,1971, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 84 RA N1 99 RU H3 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1467,1943, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 84 RA N1 99 RU N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1467,1942, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 84 RA H61 99 RU O4 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1465,1941, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 84 RA N6 99 RU O4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1464,1941, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 85 RC O2 98 RG H21 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1502,1912, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 85 RC O2 98 RG N2 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1502,1911, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 85 RC N3 98 RG H1 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1500,1909, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 85 RC N3 98 RG N1 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1500,1908, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 85 RC H41 98 RG O6 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1498,1907, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 85 RC N4 98 RG O6 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1497,1907, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 86 RA N1 97 RU H3 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1531,1879, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 86 RA N1 97 RU N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1531,1878, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 86 RA H61 97 RU O4 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1529,1877, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 86 RA N6 97 RU O4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1528,1877, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 87 RA N1 96 RU H3 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1564,1849, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 87 RA N1 96 RU N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1564,1848, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 87 RA H61 96 RU O4 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1562,1847, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 87 RA N6 96 RU O4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1561,1847, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 88 RU H3 95 RG O6 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat=1596,1813, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 88 RU N3 95 RG O6 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat=1595,1813, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
#
# 88 RU O2 95 RG H1 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat=1598,1815, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 88 RU O2 95 RG N1 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat=1598,1814, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
#
# 89 RA N1 94 RU H3 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1627,1785, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 89 RA N1 94 RU N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1627,1784, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 89 RA H61 94 RU O4 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1625,1783, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 89 RA N6 94 RU O4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1624,1783, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 90 RU H3 93 RG N2 3.70 4.00
&rst
ixpk= 0, nxpk= 0, iat=1659,1753, r1= 3.20, r2= 3.70, r3= 4.00, r4= 4.50, &end
#
# 90 RU N3 93 RG O6 4.50 4.70
&rst
ixpk= 0, nxpk= 0, iat=1658,1749, r1= 4.00, r2= 4.50, r3= 4.70, r4= 5.20, &end
#
# 90 RU O2 93 RG H1 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat=1661,1751, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 90 RU O2 93 RG N1 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat=1661,1750, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
#
#
# 9 ALA HA 59 LEU QD2 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 912, 913, 914,
&end
#
# 21 GLN H 41 GLU O 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 316, 641, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 21 GLN N 41 GLU O 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 315, 641, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 21 GLN O 41 GLU H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 331, 628, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 21 GLN O 41 GLU N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 331, 627, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 23 MET H 39 SER O 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 354, 610, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 23 MET N 39 SER O 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 353, 610, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 23 MET O 39 SER H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 369, 601, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 23 MET O 39 SER N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 369, 600, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 25 LEU H 37 VAL O 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 390, 582, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 25 LEU N 37 VAL O 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 389, 582, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 25 LEU O 37 VAL H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 407, 568, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 25 LEU O 37 VAL N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 407, 567, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
#
# 27 GLN N 35 LEU O 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 419, 546, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 42 VAL H 45 GLN O 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 643, 695, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 42 VAL N 45 GLN O 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 642, 695, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 40 VAL H 47 PHE O 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 612, 731, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 40 VAL N 47 PHE O 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 611, 731, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 40 VAL O 47 PHE H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 626, 713, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 40 VAL O 47 PHE N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 626, 712, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 38 MET H 49 GLY O 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 584, 753, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 38 MET N 49 GLY O 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 583, 753, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 38 MET O 49 GLY H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 599, 748, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 38 MET O 49 GLY N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 599, 747, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 36 PHE H 51 GLY O 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 548, 771, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 36 PHE N 51 GLY O 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 547, 771, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 36 PHE O 51 GLY H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 566, 766, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 36 PHE O 51 GLY N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 566, 765, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 6 PRO O 10 LEU N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 86, 133, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 6 PRO O 10 LEU H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 86, 134, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 7 LYS O 11 MET N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 108, 152, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 7 LYS O 11 MET H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 108, 153, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 8 ASN O 12 GLN N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 122, 169, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 8 ASN O 12 GLN H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 122, 170, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 9 ALA O 13 LEU N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 132, 186, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 9 ALA O 13 LEU H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 132, 187, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 10 LEU O 14 ASN N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 151, 205, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 10 LEU O 14 ASN H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 151, 206, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 11 MET O 15 GLU N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 168, 219, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 11 MET O 15 GLU H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 168, 220, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 12 GLN O 16 ILE N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 185, 234, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 12 GLN O 16 ILE H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 185, 235, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 13 LEU O 17 LYS N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 204, 253, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 13 LEU O 17 LYS H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 204, 254, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 57 ALA O 61 ALA N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 875, 934, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 57 ALA O 61 ALA H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 875, 935, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 58 LYS O 62 ALA N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 897, 944, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 58 LYS O 62 ALA H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 897, 945, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 59 LEU O 63 GLU N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 916, 954, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 59 LEU O 63 GLU H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 916, 955, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 60 HIS O 64 LYS N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 933, 969, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 60 HIS O 64 LYS H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 933, 970, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 61 ALA O 65 ALA N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 943, 991, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 61 ALA O 65 ALA H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 943, 992, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 62 ALA O 66 LEU N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 953,1001, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 62 ALA O 66 LEU H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 953,1002, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 63 GLU O 67 ARG N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 968,1020, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 63 GLU O 67 ARG H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 968,1021, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 64 LYS O 68 SER N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 990,1044, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 64 LYS O 68 SER H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 990,1045, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 65 ALA O 69 PHE N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1000,1055, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 65 ALA O 69 PHE H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1000,1056, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 66 LEU O 70 VAL N 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat=1019,1075, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 66 LEU O 70 VAL H 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat=1019,1076, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
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