NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
647729 |
6vvj   |
30724 | cing | 1-original | 4 | AMBER | distance | NOE | simple |
# 1 CAP H1 55 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 28,1765, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
/
#
# 1 CAP N1 55 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 27,1765, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 1 CAP H21 55 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 31,1767, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 1 CAP N2 55 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 30,1767, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 1 CAP O6 55 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 26,1763, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 1 CAP O6 55 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 26,1762, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 2 G H1 54 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 65,1734, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 2 G N1 54 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 64,1734, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 2 G H21 54 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 68,1736, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 2 G N2 54 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 67,1736, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 2 G O6 54 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 63,1732, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 2 G O6 54 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 63,1731, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 3 U H3 53 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 99,1701, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 3 U N3 53 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 98,1701, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 3 U O4 53 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 97,1699, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 3 U O4 53 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 97,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 5 U H3 52 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 160,1668, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 5 U N3 52 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 159,1668, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 5 U O4 52 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 158,1666, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 5 U O4 52 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 158,1665, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 6 C N3 51 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 191,1633, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 6 C N3 51 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 191,1632, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 6 C O2 51 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 193,1636, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 6 C O2 51 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 193,1635, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 6 C H41 51 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 189,1631, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 6 C N4 51 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 188,1631, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 8 C N3 50 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 252,1599, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 8 C N3 50 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 252,1598, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 8 C O2 50 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 254,1602, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 8 C O2 50 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 254,1601, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 8 C H41 50 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 250,1597, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 8 C N4 50 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 249,1597, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 9 U H3 49 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 282,1567, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 9 U N3 49 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 281,1567, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 9 U O4 49 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 280,1565, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 9 U O4 49 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 280,1564, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 10 U H3 48 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 312,1534, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 10 U N3 48 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 311,1534, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 10 U O4 48 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 310,1532, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 10 U O4 48 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 310,1531, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 11 G H1 47 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 342,1503, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 11 G N1 47 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 341,1503, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 11 G H21 47 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 345,1505, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 11 G N2 47 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 344,1505, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 11 G O6 47 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 340,1501, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 11 G O6 47 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 340,1500, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 12 U O2 46 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 378,1468, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 12 U O2 46 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 378,1467, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 12 U H3 46 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 376,1466, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 12 U N3 46 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 375,1466, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 13 U H3 45 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 406,1436, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 13 U N3 45 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 405,1436, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 13 U O4 45 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 404,1434, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 13 U O4 45 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 404,1433, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 14 A N1 44 U H3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 437,1405, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 14 A N1 44 U N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 437,1404, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 14 A H61 44 U O4 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 435,1403, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 14 A N6 44 U O4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 434,1403, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 15 G H1 43 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 469,1375, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 15 G N1 43 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 468,1375, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 15 G H21 43 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 472,1377, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 15 G N2 43 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 471,1377, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 15 G O6 43 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 467,1373, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 15 G O6 43 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 467,1372, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 17 C N3 42 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 537,1340, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 17 C N3 42 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 537,1339, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 17 C O2 42 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 539,1343, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 17 C O2 42 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 539,1342, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 17 C H41 42 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 535,1338, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 17 C N4 42 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 534,1338, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 18 C N3 41 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 568,1306, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 18 C N3 41 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 568,1305, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 18 C O2 41 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 570,1309, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 18 C O2 41 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 570,1308, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 18 C H41 41 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 566,1304, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 18 C N4 41 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 565,1304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 19 A N1 40 U H3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 599,1276, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 19 A N1 40 U N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 599,1275, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 19 A H61 40 U O4 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 597,1274, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 19 A N6 40 U O4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 596,1274, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 20 G H1 39 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 631,1246, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 20 G N1 39 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 630,1246, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 20 G H21 39 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 634,1248, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 20 G N2 39 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 633,1248, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 20 G O6 39 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 629,1244, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 20 G O6 39 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 629,1243, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 21 G H1 38 U O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 665,1217, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 21 G N1 38 U O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 664,1217, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 21 G O6 38 U H3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 663,1215, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 21 G O6 38 U N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 663,1214, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 24 G H1 37 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 760,1185, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 24 G N1 37 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 759,1185, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 24 G H21 37 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 763,1187, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 24 G N2 37 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 762,1187, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 24 G O6 37 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 758,1183, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 24 G O6 37 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 758,1182, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 25 A N1 36 U H3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 795,1154, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 25 A N1 36 U N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 795,1153, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 25 A H61 36 U O4 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 793,1152, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 25 A N6 36 U O4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 792,1152, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 26 G H1 35 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 827,1124, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 26 G N1 35 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 826,1124, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 26 G H21 35 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 830,1126, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 26 G N2 35 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 829,1126, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 26 G O6 35 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 825,1122, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 26 G O6 35 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 825,1121, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 27 C N3 34 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 862,1089, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 27 C N3 34 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 862,1088, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 27 C O2 34 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 864,1092, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 27 C O2 34 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 864,1091, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 27 C H41 34 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 860,1087, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 27 C N4 34 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 859,1087, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 28 C N3 33 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 893,1055, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 28 C N3 33 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 893,1054, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 29 C N3 32 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 924,1022, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 29 C N3 32 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 924,1021, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 29 C O2 32 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 926,1025, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 29 C O2 32 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 926,1024, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 29 C H41 32 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat= 922,1020, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 29 C N4 32 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat= 921,1020, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 56 C N3 102 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1796,3260, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 56 C N3 102 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1796,3259, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 56 C O2 102 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1798,3263, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 56 C O2 102 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1798,3262, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 56 C H41 102 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1794,3258, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 56 C N4 102 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1793,3258, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 57 A N1 101 U H3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1827,3230, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 57 A N1 101 U N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1827,3229, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 57 A H61 101 U O4 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1825,3228, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 57 A N6 101 U O4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1824,3228, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 58 C N3 100 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1860,3196, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 58 C N3 100 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1860,3195, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 58 C O2 100 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1862,3199, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 58 C O2 100 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1862,3198, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 58 C H41 100 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1858,3194, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 58 C N4 100 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1857,3194, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 59 U H3 99 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1890,3164, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 59 U N3 99 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1889,3164, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 59 U O4 99 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1888,3162, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 59 U O4 99 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1888,3161, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 60 G H1 98 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1920,3133, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 60 G N1 98 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1919,3133, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 60 G H21 98 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1923,3135, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 60 G N2 98 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1922,3135, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 60 G O6 98 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1918,3131, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 60 G O6 98 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1918,3130, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 61 C N3 97 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1955,3098, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 61 C N3 97 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1955,3097, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 61 C O2 97 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1957,3101, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 61 C O2 97 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1957,3100, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 61 C H41 97 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1953,3096, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 61 C N4 97 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1952,3096, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 62 U H3 96 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1985,3066, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 62 U N3 96 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1984,3066, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 62 U O4 96 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=1983,3064, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 62 U O4 96 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=1983,3063, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 63 U H3 95 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2015,3033, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 63 U N3 95 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2014,3033, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 63 U O4 95 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2013,3031, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 63 U O4 95 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2013,3030, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 64 A N1 94 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2046,3004, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 64 A H61 94 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2044,3002, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 64 A N6 94 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2043,3002, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 65 A N1 93 U H3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2079,2971, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 65 A N1 93 U N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2079,2970, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 65 A H61 93 U O4 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2077,2969, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 65 A N6 93 U O4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2076,2969, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 66 G H1 92 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2111,2941, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 66 G N1 92 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2110,2941, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 66 G H21 92 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2114,2943, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 66 G N2 92 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2113,2943, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 66 G O6 92 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2109,2939, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 66 G O6 92 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2109,2938, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 67 C N3 90 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2146,2875, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 67 C N3 90 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2146,2874, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 67 C O2 90 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2148,2878, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 67 C O2 90 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2148,2877, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 67 C H41 90 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2144,2873, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 67 C N4 90 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2143,2873, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 68 C N3 88 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2177,2811, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 68 C N3 88 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2177,2810, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 68 C O2 88 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2179,2814, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 68 C O2 88 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2179,2813, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 68 C H41 88 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2175,2809, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 68 C N4 88 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2174,2809, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 69 U H3 87 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2207,2779, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 69 U N3 87 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2206,2779, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 69 U O4 87 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2205,2777, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 69 U O4 87 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2205,2776, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 70 C N3 86 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2238,2744, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 70 C N3 86 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2238,2743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 70 C O2 86 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2240,2747, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 70 C O2 86 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2240,2746, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 70 C H41 86 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2236,2742, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 70 C N4 86 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2235,2742, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 71 A N1 85 U H3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2269,2714, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 71 A N1 85 U N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2269,2713, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 71 A H61 85 U O4 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2267,2712, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 71 A N6 85 U O4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2266,2712, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 72 A N1 84 U H3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2302,2684, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 72 A N1 84 U N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2302,2683, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 72 A H61 84 U O4 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2300,2682, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 72 A N6 84 U O4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2299,2682, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 76 A N1 80 U H3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2431,2558, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 76 A N1 80 U N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2431,2557, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 76 A H61 80 U O4 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=2429,2556, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 76 A N6 80 U O4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=2428,2556, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 103 U O2 130 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3296,4165, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 103 U O2 130 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3296,4164, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 103 U H3 130 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3294,4163, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 103 U N3 130 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3293,4163, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 104 G H1 129 C N3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3324,4135, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 104 G N1 129 C N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3323,4135, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 104 G H21 129 C O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3327,4137, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 104 G N2 129 C O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3326,4137, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 104 G O6 129 C H41 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3322,4133, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 104 G O6 129 C N4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3322,4132, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 105 U O2 128 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3360,4100, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 105 U O2 128 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3360,4099, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 105 U H3 128 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3358,4098, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 105 U N3 128 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3357,4098, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 106 G H1 127 U O2 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3388,4072, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 106 G N1 127 U O2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3387,4072, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 106 G O6 127 U H3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3386,4070, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 106 G O6 127 U N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3386,4069, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 107 C N3 126 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3423,4036, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 107 C N3 126 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3423,4035, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 107 C O2 126 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3425,4039, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 107 C O2 126 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3425,4038, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 107 C H41 126 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3421,4034, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 107 C N4 126 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3420,4034, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 108 C N3 125 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3454,4002, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 108 C N3 125 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3454,4001, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 108 C O2 125 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3456,4005, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 108 C O2 125 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3456,4004, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 108 C H41 125 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3452,4000, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 108 C N4 125 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3451,4000, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 109 C N3 124 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3485,3968, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 109 C N3 124 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3485,3967, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 109 C O2 124 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3487,3971, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 109 C O2 124 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3487,3970, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 109 C H41 124 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3483,3966, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 109 C N4 124 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3482,3966, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 110 A N1 123 U H3 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3516,3938, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 110 A N1 123 U N3 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3516,3937, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 110 A H61 123 U O4 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3514,3936, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 110 A N6 123 U O4 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3513,3936, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 111 U H3 122 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3548,3906, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 111 U N3 122 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3547,3906, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 111 U O4 122 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3546,3904, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 111 U O4 122 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3546,3903, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 112 C N3 121 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3579,3871, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 112 C N3 121 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3579,3870, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 112 C O2 121 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3581,3874, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 112 C O2 121 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3581,3873, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 112 C H41 121 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3577,3869, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 112 C N4 121 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3576,3869, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 113 U H3 120 A N1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3609,3839, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 113 U N3 120 A N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3608,3839, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 113 U O4 120 A H61 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3607,3837, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 113 U O4 120 A N6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3607,3836, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 114 C N3 119 G H1 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3640,3804, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 114 C N3 119 G N1 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3640,3803, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 114 C O2 119 G H21 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3642,3807, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 114 C O2 119 G N2 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3642,3806, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
#
# 114 C H41 119 G O6 1.89 (# )
&rst
ixpk= 0, nxpk= 0, iat=3638,3802, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39, /
#
# 114 C N4 119 G O6 3.00 (# )
&rst
ixpk= 0, nxpk= 0, iat=3637,3802, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, /
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