NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
548336 |
2lt7   |
18462 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 3 ASN HB+ 3 ASN HD2+ 3.79
&rst
ixpk= 0, nxpk= 0, iat= 33, 38, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
rk2= 30.0, rk3= 30.0, ir6= 1, ialtd= 0,
&end
#
# 3 ASN HB- 3 ASN HD2+ 3.58
&rst
ixpk= 0, nxpk= 0, iat= 34, 38, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 3 ASN HB+ 3 ASN HD2- 4.00
&rst
ixpk= 0, nxpk= 0, iat= 33, 39, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 ASN HB- 3 ASN HD2- 3.93
&rst
ixpk= 0, nxpk= 0, iat= 34, 39, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 3 ASN HB+ 4 LYS+ H 4.95
&rst
ixpk= 0, nxpk= 0, iat= 33, 43, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 3 ASN HB- 4 LYS+ H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 34, 43, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 8 VAL H 8 VAL QG+ 3.66
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 134, 135, 136,
&end
#
# 8 VAL H 8 VAL QG- 4.62
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 138, 139, 140,
&end
#
# 8 VAL HA 9 LYS+ H 3.59
&rst
ixpk= 0, nxpk= 0, iat= 130, 144, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 8 VAL QG- 10 HIS HD2 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 138, 139, 140,
&end
#
# 8 VAL QG- 10 HIS HE1 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 176, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 138, 139, 140,
&end
#
# 9 LYS+ HA 10 HIS HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 146, 180, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 HIS HA 10 HIS HD2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 168, 180, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 13 HIS HA 14 TYR H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 210, 226, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 14 TYR HA 15 GLU- H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 228, 247, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 15 GLU- HA 16 LEU H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 249, 262, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 16 LEU HA 17 ILE H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 264, 281, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 17 ILE HA 18 VAL H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 283, 300, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 21 ARG+ HA 22 VAL H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 337, 359, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 22 VAL HA 23 TYR H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 361, 375, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 23 TYR HA 24 TYR H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 377, 396, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 25 ILE HA 26 CYSZ H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 419, 436, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 31 ARG+ HA 32 SER H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 515, 537, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 33 TYR HA 34 VAL H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 550, 569, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 14 TYR HB+ 15 GLU- H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 230, 247, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 14 TYR HB- 15 GLU- H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 231, 247, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 GLU- HB+ 16 LEU H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 251, 262, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 15 GLU- HB- 16 LEU H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 252, 262, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 16 LEU HB+ 17 ILE H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 266, 281, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 16 LEU HB- 17 ILE H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 267, 281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 VAL HB 23 TYR H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 363, 375, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 TYR QB 24 TYR H 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 379, 380,
&end
#
# 24 TYR HB+ 25 ILE H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 400, 417, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 TYR HB- 25 ILE H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 401, 417, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 ILE HB 26 CYSZ H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 421, 436, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 31 ARG+ HB+ 32 SER H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 517, 537, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 31 ARG+ HB- 32 SER H 3.70
&rst
ixpk= 0, nxpk= 0, iat= 518, 537, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 32 SER QB 33 TYR H 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 541, 542,
&end
#
# 33 TYR HB+ 34 VAL H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 552, 569, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 33 TYR HB- 34 VAL H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 553, 569, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 17 ILE HA 22 VAL HA 3.56
&rst
ixpk= 0, nxpk= 0, iat= 283, 361, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 23 TYR HA 34 VAL HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 377, 571, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 ILE HA 32 SER HA 3.74
&rst
ixpk= 0, nxpk= 0, iat= 419, 539, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 14 TYR H 26 CYSZ HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= 226, 438, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 15 GLU- HA 25 ILE H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 249, 417, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ILE HA 23 TYR H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 283, 375, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 VAL H 22 VAL HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 300, 361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 TYR H 34 VAL HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 396, 571, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 ILE HA 33 TYR H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 419, 548, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 CYSZ H 32 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 436, 539, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 TYR H 25 ILE H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 226, 417, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 18 VAL H 21 ARG+ H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 300, 335, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 24 TYR H 33 TYR H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 396, 548, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 CYSZ H 31 ARG+ H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 436, 513, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 18 VAL HA 19 ASP- H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 302, 316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 ASP- HA 20 GLY H 3.40
&rst
ixpk= 0, nxpk= 0, iat= 318, 328, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 20 GLY HA+ 21 ARG+ H 3.56
&rst
ixpk= 0, nxpk= 0, iat= 330, 335, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 20 GLY HA- 21 ARG+ H 3.63
&rst
ixpk= 0, nxpk= 0, iat= 331, 335, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 19 ASP- H 20 GLY H 3.25
&rst
ixpk= 0, nxpk= 0, iat= 316, 328, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 20 GLY H 21 ARG+ H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 328, 335, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 28 VAL H 29 CYS- H 3.25
&rst
ixpk= 0, nxpk= 0, iat= 465, 481, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 29 CYS- H 30 LYS+ H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 481, 491, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 LEU H 37 THR H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 596, 615, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 37 THR H 38 SER H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 615, 629, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 SER H 39 LEU H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 629, 640, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 39 LEU H 40 ARG+ H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 640, 659, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 40 ARG+ H 41 ARG+ H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 659, 683, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 42 HIS H 43 PHE H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 707, 724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 43 PHE H 44 ASN H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 724, 744, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 ASN H 45 ILE H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 744, 758, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 ILE H 46 HIS H 3.03
&rst
ixpk= 0, nxpk= 0, iat= 758, 777, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 46 HIS H 47 SER H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 777, 794, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 37 THR H 39 LEU H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 615, 640, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 38 SER H 40 ARG+ H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 629, 659, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 39 LEU H 41 ARG+ H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 640, 683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 ARG+ H 43 PHE H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 683, 724, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 HIS H 44 ASN H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 707, 744, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 44 ASN H 46 HIS H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 744, 777, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 SER HA 40 ARG+ H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 631, 659, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 42 HIS HA 44 ASN H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 709, 744, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ASN HA 46 HIS H 4.46
&rst
ixpk= 0, nxpk= 0, iat= 746, 777, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 36 LEU HA 39 LEU H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 598, 640, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 38 SER HA 41 ARG+ H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 631, 683, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 40 ARG+ HA 43 PHE H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 661, 724, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 43 PHE HA 46 HIS H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 726, 777, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 44 ASN HA 47 SER H 3.76
&rst
ixpk= 0, nxpk= 0, iat= 746, 794, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 36 LEU HA 40 ARG+ H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 598, 659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 LEU HA 39 LEU HB- 5.00
&rst
ixpk= 0, nxpk= 0, iat= 598, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 ARG+ HA 43 PHE HB+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 661, 728, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 TYR H 14 TYR QD 4.34
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 234, 243,
&end
#
# 17 ILE QG2 17 ILE QD1 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1= 287, 288, 289,
igr2= 294, 295, 296,
&end
#
# 18 VAL QG+ 19 ASP- HB+ 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 306, 307, 308,
&end
#
# 18 VAL QG+ 19 ASP- HB- 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 306, 307, 308,
&end
#
# 21 ARG+ H 21 ARG+ QB 3.38
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 339, 340,
&end
#
# 21 ARG+ H 21 ARG+ HG+ 3.25
&rst
ixpk= 0, nxpk= 0, iat= 335, 342, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 21 ARG+ H 21 ARG+ HG- 3.40
&rst
ixpk= 0, nxpk= 0, iat= 335, 343, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 21 ARG+ H 21 ARG+ QD 4.96
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 345, 346,
&end
#
# 21 ARG+ QB 21 ARG+ HE 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 339, 340,
&end
#
# 21 ARG+ QD 21 ARG+ HE 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 345, 346,
&end
#
# 22 VAL QG+ 23 TYR HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 365, 366, 367,
&end
#
# 25 ILE QD1 25 ILE QG2 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1= 430, 431, 432,
igr2= 423, 424, 425,
&end
#
# 26 CYSZ H 26 CYSZ HB+ 3.63
&rst
ixpk= 0, nxpk= 0, iat= 436, 441, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 26 CYSZ H 26 CYSZ HB- 3.65
&rst
ixpk= 0, nxpk= 0, iat= 436, 440, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 27 ILE HG1+ 28 VAL QG- 5.25
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 475, 476, 477,
&end
#
# 27 ILE HG1- 28 VAL QG- 5.86
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 475, 476, 477,
&end
#
# 28 VAL QG+ 29 CYS- HB+ 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 471, 472, 473,
&end
#
# 28 VAL QG+ 29 CYS- HB- 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 471, 472, 473,
&end
#
# 29 CYS- H 29 CYS- HB+ 3.77
&rst
ixpk= 0, nxpk= 0, iat= 481, 486, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 29 CYS- H 29 CYS- HB- 4.20
&rst
ixpk= 0, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 30 LYS+ H 30 LYS+ HG+ 3.44
&rst
ixpk= 0, nxpk= 0, iat= 491, 498, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 30 LYS+ H 30 LYS+ HG- 3.37
&rst
ixpk= 0, nxpk= 0, iat= 491, 499, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 31 ARG+ H 31 ARG+ HB+ 3.00
&rst
ixpk= 0, nxpk= 0, iat= 513, 517, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 ARG+ H 31 ARG+ HB- 3.69
&rst
ixpk= 0, nxpk= 0, iat= 513, 518, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 31 ARG+ H 31 ARG+ HG+ 4.25
&rst
ixpk= 0, nxpk= 0, iat= 513, 520, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 31 ARG+ H 31 ARG+ HG- 3.42
&rst
ixpk= 0, nxpk= 0, iat= 513, 521, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 31 ARG+ H 31 ARG+ HD2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 513, 523, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 31 ARG+ H 31 ARG+ HD3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 513, 524, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 31 ARG+ HB+ 31 ARG+ HE 4.70
&rst
ixpk= 0, nxpk= 0, iat= 517, 526, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 32 SER H 32 SER QB 3.49
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 541, 542,
&end
#
# 33 TYR H 33 TYR QD 4.47
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 556, 565,
&end
#
# 34 VAL HA 34 VAL QG+ 3.24
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 575, 576, 577,
&end
#
# 34 VAL HA 34 VAL QG- 3.24
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 579, 580, 581,
&end
#
# 35 CYS H 35 CYS HB+ 3.79
&rst
ixpk= 0, nxpk= 0, iat= 585, 589, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 35 CYS H 35 CYS HB- 3.98
&rst
ixpk= 0, nxpk= 0, iat= 585, 590, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 38 SER H 38 SER QB 4.36
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 633, 634,
&end
#
# 39 LEU QD- 40 ARG+ QD 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 653, 654, 655,
igr2= 669, 670,
&end
#
# 40 ARG+ H 40 ARG+ HG+ 3.15
&rst
ixpk= 0, nxpk= 0, iat= 659, 666, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 40 ARG+ H 40 ARG+ HG- 3.90
&rst
ixpk= 0, nxpk= 0, iat= 659, 667, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 40 ARG+ H 40 ARG+ QD 4.36
&rst
ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 669, 670,
&end
#
# 40 ARG+ H 40 ARG+ HE 5.25
&rst
ixpk= 0, nxpk= 0, iat= 659, 672, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 41 ARG+ H 41 ARG+ HB+ 3.07
&rst
ixpk= 0, nxpk= 0, iat= 683, 687, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 41 ARG+ H 41 ARG+ HB- 2.97
&rst
ixpk= 0, nxpk= 0, iat= 683, 688, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 41 ARG+ H 41 ARG+ HG+ 4.50
&rst
ixpk= 0, nxpk= 0, iat= 683, 690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 ARG+ H 41 ARG+ HG- 4.70
&rst
ixpk= 0, nxpk= 0, iat= 683, 691, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 41 ARG+ H 41 ARG+ QD 5.33
&rst
ixpk= 0, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 693, 694,
&end
#
# 41 ARG+ HB+ 41 ARG+ HE 3.00
&rst
ixpk= 0, nxpk= 0, iat= 687, 696, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 43 PHE H 43 PHE HB+ 3.56
&rst
ixpk= 0, nxpk= 0, iat= 724, 728, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 43 PHE H 43 PHE HB- 3.32
&rst
ixpk= 0, nxpk= 0, iat= 724, 729, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 44 ASN HA 44 ASN HD2+ 3.50
&rst
ixpk= 0, nxpk= 0, iat= 746, 753, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 ASN HB+ 45 ILE H 4.36
&rst
ixpk= 0, nxpk= 0, iat= 748, 758, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 44 ASN HB- 45 ILE H 3.60
&rst
ixpk= 0, nxpk= 0, iat= 749, 758, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 45 ILE HA 45 ILE HG1+ 3.80
&rst
ixpk= 0, nxpk= 0, iat= 760, 768, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 45 ILE HA 45 ILE QG2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 764, 765, 766,
&end
#
# 45 ILE QG2 45 ILE QD1 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1= 764, 765, 766,
igr2= 771, 772, 773,
&end
#
# 45 ILE HB 46 HIS H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 762, 777, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 45 ILE QG2 46 HIS HE1 6.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 764, 765, 766,
&end
#
# 47 SER H 47 SER HB- 3.31
&rst
ixpk= 0, nxpk= 0, iat= 794, 799, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 48 TRP H 48 TRP HD1 4.94
&rst
ixpk= 0, nxpk= 0, iat= 805, 813, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 48 TRP HA 48 TRP HD1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 807, 813, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 48 TRP H 49 GLU- H 2.91
&rst
ixpk= 0, nxpk= 0, iat= 805, 829, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 49 GLU- QB 50 LYS+ HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 833, 834,
&end
#
# 49 GLU- QB 50 LYS+ HG+ 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 833, 834,
&end
#
# 49 GLU- QB 50 LYS+ HG- 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 833, 834,
&end
#
# 49 GLU- QB 50 LYS+ QE 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 833, 834,
igr2= 857, 858,
&end
#
# 49 GLU- HG+ 50 LYS+ HG+ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 836, 851, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 GLU- HG- 50 LYS+ HG+ 4.30
&rst
ixpk= 0, nxpk= 0, iat= 837, 851, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 49 GLU- HG+ 50 LYS+ HG- 3.80
&rst
ixpk= 0, nxpk= 0, iat= 836, 852, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 49 GLU- HG- 50 LYS+ HG- 3.00
&rst
ixpk= 0, nxpk= 0, iat= 837, 852, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 49 GLU- HG+ 50 LYS+ QE 5.22
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 857, 858,
&end
#
# 50 LYS+ H 50 LYS+ QE 5.33
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 857, 858,
&end
#
# 50 LYS+ HA 51 LYS+ H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 846, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 LYS+ HB- 51 LYS+ H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 849, 866, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 50 LYS+ HG+ 51 LYS+ H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 851, 866, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 50 LYS+ HG- 51 LYS+ H 5.25
&rst
ixpk= 0, nxpk= 0, iat= 852, 866, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 51 LYS+ H 51 LYS+ QD 4.28
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 876, 877,
&end
#
# 12 ASP- HA 27 ILE QD1 5.61
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 459, 460, 461,
&end
#
# 12 ASP- HA 27 ILE QG2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 452, 453, 454,
&end
#
# 12 ASP- H 27 ILE QG2 5.46
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 452, 453, 454,
&end
#
# 12 ASP- H 27 ILE QD1 5.82
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 459, 460, 461,
&end
#
# 12 ASP- HA 43 PHE QE 5.61
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 734, 738,
&end
#
# 13 HIS HD2 15 GLU- HG+ 4.40
&rst
ixpk= 0, nxpk= 0, iat= 222, 254, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 13 HIS HD2 15 GLU- HG- 5.00
&rst
ixpk= 0, nxpk= 0, iat= 222, 255, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 HIS H 27 ILE QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 452, 453, 454,
&end
#
# 13 HIS H 27 ILE QD1 5.39
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 459, 460, 461,
&end
#
# 13 HIS HA 27 ILE HB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 210, 450, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 13 HIS HA 27 ILE QD1 5.40
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 459, 460, 461,
&end
#
# 13 HIS HA 27 ILE QG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 452, 453, 454,
&end
#
# 13 HIS HE1 36 LEU QD+ 5.40
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 605, 606, 607,
&end
#
# 13 HIS HE1 36 LEU QD- 4.24
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 609, 610, 611,
&end
#
# 13 HIS HA 39 LEU QD- 5.10
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 653, 654, 655,
&end
#
# 13 HIS HA 39 LEU QD+ 5.10
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 649, 650, 651,
&end
#
# 13 HIS HB- 39 LEU QD- 3.49
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 653, 654, 655,
&end
#
# 13 HIS HB- 39 LEU QD+ 3.69
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 649, 650, 651,
&end
#
# 13 HIS HD2 39 LEU QD+ 5.70
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 649, 650, 651,
&end
#
# 13 HIS HD2 39 LEU QD- 4.80
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 653, 654, 655,
&end
#
# 14 TYR QD 16 LEU HB+ 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 234, 243,
&end
#
# 14 TYR QD 16 LEU HB- 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 234, 243,
&end
#
# 14 TYR QD 16 LEU QD+ 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 234, 243,
igr2= 271, 272, 273,
&end
#
# 14 TYR QD 16 LEU QD- 6.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 234, 243,
igr2= 275, 276, 277,
&end
#
# 14 TYR QE 16 LEU HB+ 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 236, 241,
&end
#
# 14 TYR QE 16 LEU HB- 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 236, 241,
&end
#
# 14 TYR QE 16 LEU QD+ 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 236, 241,
igr2= 271, 272, 273,
&end
#
# 14 TYR QE 16 LEU QD- 6.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 236, 241,
igr2= 275, 276, 277,
&end
#
# 14 TYR H 25 ILE HB 4.61
&rst
ixpk= 0, nxpk= 0, iat= 226, 421, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 14 TYR QD 25 ILE HB 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 234, 243,
&end
#
# 14 TYR QD 25 ILE QD1 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 234, 243,
igr2= 430, 431, 432,
&end
#
# 14 TYR QD 25 ILE QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 234, 243,
igr2= 423, 424, 425,
&end
#
# 14 TYR QE 25 ILE HG1+ 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 236, 241,
&end
#
# 14 TYR QE 25 ILE HG1- 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 236, 241,
&end
#
# 14 TYR QE 25 ILE QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 236, 241,
igr2= 430, 431, 432,
&end
#
# 14 TYR QE 25 ILE QG2 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 236, 241,
igr2= 423, 424, 425,
&end
#
# 14 TYR QD 27 ILE HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 234, 243,
&end
#
# 14 TYR QD 27 ILE QG2 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 234, 243,
igr2= 452, 453, 454,
&end
#
# 14 TYR QE 27 ILE HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 236, 241,
&end
#
# 14 TYR QE 27 ILE QG2 6.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 236, 241,
igr2= 452, 453, 454,
&end
#
# 15 GLU- HA 22 VAL QG+ 4.65
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 365, 366, 367,
&end
#
# 15 GLU- HB+ 22 VAL QG+ 5.84
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 365, 366, 367,
&end
#
# 15 GLU- HB- 22 VAL QG- 5.04
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 369, 370, 371,
&end
#
# 15 GLU- HB- 22 VAL QG+ 3.70
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 365, 366, 367,
&end
#
# 15 GLU- HG+ 22 VAL QG+ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 365, 366, 367,
&end
#
# 15 GLU- HG- 22 VAL QG+ 4.68
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 365, 366, 367,
&end
#
# 15 GLU- HG+ 24 TYR QE 4.28
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 406, 411,
&end
#
# 15 GLU- HG- 24 TYR QE 4.98
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 406, 411,
&end
#
# 16 LEU HB+ 18 VAL QG- 5.88
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 310, 311, 312,
&end
#
# 16 LEU HB- 18 VAL QG- 4.86
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 310, 311, 312,
&end
#
# 16 LEU HG 18 VAL QG- 4.52
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 310, 311, 312,
&end
#
# 16 LEU H 23 TYR QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 379, 380,
&end
#
# 16 LEU HB+ 23 TYR QB 4.74
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 379, 380,
&end
#
# 16 LEU QD+ 23 TYR QB 6.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 271, 272, 273,
igr2= 379, 380,
&end
#
# 16 LEU QD- 23 TYR QB 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 275, 276, 277,
igr2= 379, 380,
&end
#
# 16 LEU QD- 23 TYR QD 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 275, 276, 277,
igr2= 383, 392,
&end
#
# 16 LEU QD- 23 TYR QE 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 275, 276, 277,
igr2= 385, 390,
&end
#
# 16 LEU HB+ 25 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 430, 431, 432,
&end
#
# 16 LEU HB- 25 ILE QD1 4.84
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 430, 431, 432,
&end
#
# 16 LEU HG 25 ILE QD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 430, 431, 432,
&end
#
# 16 LEU QD+ 25 ILE QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 271, 272, 273,
igr2= 430, 431, 432,
&end
#
# 16 LEU QD- 25 ILE QD1 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 275, 276, 277,
igr2= 430, 431, 432,
&end
#
# 17 ILE HA 22 VAL QG- 4.62
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 369, 370, 371,
&end
#
# 17 ILE HA 22 VAL QG+ 5.64
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 365, 366, 367,
&end
#
# 17 ILE HG1+ 22 VAL HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= 291, 361, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 17 ILE HG1+ 22 VAL QG- 3.63
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 369, 370, 371,
&end
#
# 17 ILE HG1+ 22 VAL QG+ 4.67
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 365, 366, 367,
&end
#
# 17 ILE HG1- 22 VAL HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= 292, 361, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 17 ILE HG1- 22 VAL QG- 4.02
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 369, 370, 371,
&end
#
# 17 ILE HG1- 22 VAL QG+ 5.22
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 365, 366, 367,
&end
#
# 17 ILE QG2 22 VAL HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 287, 288, 289,
&end
#
# 17 ILE QD1 22 VAL HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 294, 295, 296,
&end
#
# 17 ILE QD1 22 VAL QG- 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 294, 295, 296,
igr2= 369, 370, 371,
&end
#
# 18 VAL HB 21 ARG+ QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 339, 340,
&end
#
# 18 VAL QG+ 21 ARG+ QB 6.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 306, 307, 308,
igr2= 339, 340,
&end
#
# 18 VAL QG- 21 ARG+ QB 6.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 310, 311, 312,
igr2= 339, 340,
&end
#
# 18 VAL H 23 TYR QD 5.07
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 383, 392,
&end
#
# 18 VAL H 23 TYR QE 5.47
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 385, 390,
&end
#
# 18 VAL HB 23 TYR QD 4.93
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 383, 392,
&end
#
# 18 VAL HB 23 TYR QE 4.28
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 385, 390,
&end
#
# 18 VAL QG+ 23 TYR QD 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 306, 307, 308,
igr2= 383, 392,
&end
#
# 18 VAL QG+ 23 TYR QE 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 306, 307, 308,
igr2= 385, 390,
&end
#
# 18 VAL QG- 23 TYR QD 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 310, 311, 312,
igr2= 383, 392,
&end
#
# 18 VAL QG- 23 TYR QE 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 310, 311, 312,
igr2= 385, 390,
&end
#
# 21 ARG+ QB 23 TYR QD 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 339, 340,
igr2= 383, 392,
&end
#
# 21 ARG+ QB 23 TYR QE 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 339, 340,
igr2= 385, 390,
&end
#
# 21 ARG+ HG+ 23 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 385, 390,
&end
#
# 21 ARG+ HG- 23 TYR QE 5.05
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 385, 390,
&end
#
# 21 ARG+ QD 23 TYR QD 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 345, 346,
igr2= 383, 392,
&end
#
# 21 ARG+ QD 23 TYR QE 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 345, 346,
igr2= 385, 390,
&end
#
# 21 ARG+ QD 34 VAL QG+ 6.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 345, 346,
igr2= 575, 576, 577,
&end
#
# 21 ARG+ QD 34 VAL QG- 6.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 345, 346,
igr2= 579, 580, 581,
&end
#
# 22 VAL QG+ 24 TYR QD 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 365, 366, 367,
igr2= 404, 413,
&end
#
# 22 VAL QG+ 24 TYR QE 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 365, 366, 367,
igr2= 406, 411,
&end
#
# 23 TYR QB 25 ILE QD1 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 379, 380,
igr2= 430, 431, 432,
&end
#
# 23 TYR QB 32 SER QB 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 379, 380,
igr2= 541, 542,
&end
#
# 23 TYR QD 32 SER QB 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 383, 392,
igr2= 541, 542,
&end
#
# 23 TYR QD 34 VAL HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 383, 392,
&end
#
# 23 TYR QD 34 VAL QG- 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 383, 392,
igr2= 579, 580, 581,
&end
#
# 23 TYR QE 34 VAL HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 385, 390,
&end
#
# 23 TYR QE 34 VAL QG- 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 385, 390,
igr2= 579, 580, 581,
&end
#
# 24 TYR QD 35 CYS H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 404, 413,
&end
#
# 24 TYR QD 35 CYS HA 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 404, 413,
&end
#
# 24 TYR QE 35 CYS HA 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 406, 411,
&end
#
# 24 TYR QD 36 LEU QD+ 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 404, 413,
igr2= 605, 606, 607,
&end
#
# 24 TYR QD 36 LEU QD- 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 404, 413,
igr2= 609, 610, 611,
&end
#
# 24 TYR QE 36 LEU H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 406, 411,
&end
#
# 24 TYR QE 36 LEU QD+ 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 406, 411,
igr2= 605, 606, 607,
&end
#
# 24 TYR QE 36 LEU QD- 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 406, 411,
igr2= 609, 610, 611,
&end
#
# 25 ILE QG2 30 LYS+ HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 423, 424, 425,
&end
#
# 25 ILE QG2 30 LYS+ HB+ 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 423, 424, 425,
&end
#
# 25 ILE QG2 30 LYS+ HB- 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 423, 424, 425,
&end
#
# 25 ILE QG2 30 LYS+ HG+ 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 423, 424, 425,
&end
#
# 25 ILE QG2 30 LYS+ HG- 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 499, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 423, 424, 425,
&end
#
# 25 ILE QG2 30 LYS+ HD2 6.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 423, 424, 425,
&end
#
# 25 ILE QG2 30 LYS+ HD3 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 423, 424, 425,
&end
#
# 25 ILE QG2 30 LYS+ QE 6.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 423, 424, 425,
igr2= 504, 505,
&end
#
# 25 ILE HG1+ 32 SER QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 541, 542,
&end
#
# 25 ILE QD1 32 SER QB 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 430, 431, 432,
igr2= 541, 542,
&end
#
# 25 ILE QG2 32 SER QB 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 423, 424, 425,
igr2= 541, 542,
&end
#
# 25 ILE QD1 32 SER HA 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 430, 431, 432,
&end
#
# 26 CYSZ HB+ 31 ARG+ H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 441, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 CYSZ HB- 31 ARG+ H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 440, 513, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 26 CYSZ HA 39 LEU QD+ 4.01
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 649, 650, 651,
&end
#
# 26 CYSZ HA 39 LEU QD- 4.77
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 653, 654, 655,
&end
#
# 26 CYSZ HB+ 39 LEU QD+ 3.96
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 649, 650, 651,
&end
#
# 26 CYSZ HB- 39 LEU QD+ 4.74
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 649, 650, 651,
&end
#
# 27 ILE H 43 PHE QE 5.83
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 734, 738,
&end
#
# 27 ILE HG1+ 43 PHE QE 5.05
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 734, 738,
&end
#
# 27 ILE HG1- 43 PHE QE 5.16
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 734, 738,
&end
#
# 27 ILE QG2 43 PHE QD 7.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 452, 453, 454,
igr2= 732, 740,
&end
#
# 27 ILE QG2 43 PHE QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 452, 453, 454,
igr2= 734, 738,
&end
#
# 27 ILE QG2 43 PHE HZ 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 452, 453, 454,
&end
#
# 27 ILE QD1 43 PHE QE 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 459, 460, 461,
igr2= 734, 738,
&end
#
# 27 ILE QD1 43 PHE HZ 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 459, 460, 461,
&end
#
# 28 VAL H 43 PHE QE 5.52
&rst
ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 734, 738,
&end
#
# 28 VAL QG- 43 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 475, 476, 477,
igr2= 732, 740,
&end
#
# 28 VAL QG- 43 PHE QE 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 475, 476, 477,
igr2= 734, 738,
&end
#
# 28 VAL QG- 43 PHE HZ 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 475, 476, 477,
&end
#
# 28 VAL QG+ 43 PHE QE 6.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 471, 472, 473,
igr2= 734, 738,
&end
#
# 28 VAL HB 46 HIS HD2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 469, 790, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 28 VAL QG- 46 HIS HB+ 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 475, 476, 477,
&end
#
# 28 VAL QG- 46 HIS HB- 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 475, 476, 477,
&end
#
# 28 VAL QG- 46 HIS HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 475, 476, 477,
&end
#
# 28 VAL QG+ 46 HIS HD2 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 471, 472, 473,
&end
#
# 28 VAL QG+ 46 HIS HE1 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 471, 472, 473,
&end
#
# 29 CYS- H 46 HIS HE1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 481, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 CYS- HA 46 HIS HE1 5.12
&rst
ixpk= 0, nxpk= 0, iat= 483, 787, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 29 CYS- HB+ 46 HIS HE1 4.25
&rst
ixpk= 0, nxpk= 0, iat= 486, 787, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 29 CYS- HB- 46 HIS HE1 4.02
&rst
ixpk= 0, nxpk= 0, iat= 485, 787, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 31 ARG+ HE 42 HIS HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 526, 717, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 ARG+ HD2 42 HIS HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 523, 720, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 ARG+ HD2 42 HIS HE1 3.60
&rst
ixpk= 0, nxpk= 0, iat= 523, 717, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 31 ARG+ HD3 42 HIS HE1 4.11
&rst
ixpk= 0, nxpk= 0, iat= 524, 717, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 33 TYR HB+ 35 CYS H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 552, 585, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 33 TYR HB- 35 CYS H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 553, 585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 TYR QD 38 SER QB 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 556, 565,
igr2= 633, 634,
&end
#
# 33 TYR QD 39 LEU QD+ 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 556, 565,
igr2= 649, 650, 651,
&end
#
# 33 TYR QD 39 LEU QD- 5.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 556, 565,
igr2= 653, 654, 655,
&end
#
# 33 TYR QE 39 LEU QD+ 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 558, 563,
igr2= 649, 650, 651,
&end
#
# 35 CYS HA 37 THR H 4.15
&rst
ixpk= 0, nxpk= 0, iat= 587, 615, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 35 CYS HB+ 37 THR H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 589, 615, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 35 CYS HB- 37 THR H 3.90
&rst
ixpk= 0, nxpk= 0, iat= 590, 615, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 35 CYS HB+ 38 SER H 3.60
&rst
ixpk= 0, nxpk= 0, iat= 589, 629, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 35 CYS HB- 38 SER H 3.90
&rst
ixpk= 0, nxpk= 0, iat= 590, 629, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 36 LEU QD- 39 LEU HB+ 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 609, 610, 611,
&end
#
# 36 LEU QD- 39 LEU HB- 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 609, 610, 611,
&end
#
# 36 LEU QD- 39 LEU QD+ 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 609, 610, 611,
igr2= 649, 650, 651,
&end
#
# 36 LEU QD- 39 LEU QD- 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr1= 609, 610, 611,
igr2= 653, 654, 655,
&end
#
# 36 LEU QD+ 40 ARG+ QD 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 605, 606, 607,
igr2= 669, 670,
&end
#
# 36 LEU QD- 40 ARG+ QD 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 609, 610, 611,
igr2= 669, 670,
&end
#
# 37 THR HA 40 ARG+ HG+ 3.60
&rst
ixpk= 0, nxpk= 0, iat= 617, 666, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 39 LEU QD+ 42 HIS HD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 649, 650, 651,
&end
#
# 39 LEU QD- 42 HIS HD2 5.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 653, 654, 655,
&end
#
# 39 LEU QD+ 43 PHE H 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 649, 650, 651,
&end
#
# 39 LEU QD- 43 PHE H 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 653, 654, 655,
&end
#
# 42 HIS HA 45 ILE QD1 5.70
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 771, 772, 773,
&end
#
# 42 HIS HE1 45 ILE QD1 4.79
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 771, 772, 773,
&end
#
# 42 HIS HE1 45 ILE QG2 5.52
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 764, 765, 766,
&end
#
# 43 PHE QD 46 HIS HD2 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 732, 740,
&end
#
# 43 PHE QE 46 HIS HD2 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 734, 738,
&end
#
# 47 SER HB+ 49 GLU- QB 3.93
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 833, 834,
&end
#
# 47 SER HB+ 49 GLU- HG+ 4.76
&rst
ixpk= 0, nxpk= 0, iat= 798, 836, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 47 SER HB+ 49 GLU- HG- 5.25
&rst
ixpk= 0, nxpk= 0, iat= 798, 837, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 48 TRP HB- 51 LYS+ HE2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 810, 879, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 TRP HB- 51 LYS+ HE3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 810, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 TRP HZ3 51 LYS+ HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 822, 868, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 48 TRP HE3 51 LYS+ HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 824, 868, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 48 TRP HE3 51 LYS+ QG 4.56
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 873, 874,
&end
#
# 48 TRP HZ3 51 LYS+ QG 4.91
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 873, 874,
&end
#
# 48 TRP HE3 51 LYS+ HE2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 824, 879, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 48 TRP HE3 51 LYS+ HE3 4.21
&rst
ixpk= 0, nxpk= 0, iat= 824, 880, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 48 TRP HE3 51 LYS+ QD 4.39
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 876, 877,
&end
#
# 48 TRP HZ3 51 LYS+ QD 4.80
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 876, 877,
&end
#
# 41 ARG+ HG+ 63 LEU QD+ 4.71
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 1084, 1085, 1086,
&end
#
# 41 ARG+ HG+ 63 LEU QD- 3.86
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 1088, 1089, 1090,
&end
#
# 41 ARG+ HG- 63 LEU QD- 3.48
&rst
ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 1088, 1089, 1090,
&end
#
# 41 ARG+ QD 63 LEU QD- 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 693, 694,
igr2= 1088, 1089, 1090,
&end
#
# 41 ARG+ QD 63 LEU QD+ 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 693, 694,
igr2= 1084, 1085, 1086,
&end
#
# 44 ASN HA 49 GLU- H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 746, 829, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 44 ASN HD2- 49 GLU- H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 754, 829, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 44 ASN HD2- 50 LYS+ H 2.87
&rst
ixpk= 0, nxpk= 0, iat= 754, 844, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 44 ASN HD2- 50 LYS+ HB+ 3.74
&rst
ixpk= 0, nxpk= 0, iat= 754, 848, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 44 ASN HD2- 50 LYS+ HB- 4.05
&rst
ixpk= 0, nxpk= 0, iat= 754, 849, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 44 ASN HD2- 50 LYS+ HG+ 5.25
&rst
ixpk= 0, nxpk= 0, iat= 754, 851, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 44 ASN HD2- 50 LYS+ HG- 4.25
&rst
ixpk= 0, nxpk= 0, iat= 754, 852, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 44 ASN HD2+ 50 LYS+ H 3.11
&rst
ixpk= 0, nxpk= 0, iat= 753, 844, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 45 ILE HA 48 TRP HE1 4.60
&rst
ixpk= 0, nxpk= 0, iat= 760, 815, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 45 ILE QG2 48 TRP HE1 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 764, 765, 766,
&end
#
# 45 ILE QG2 48 TRP HZ2 6.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 764, 765, 766,
&end
#
# 45 ILE QG2 62 PRO HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 1071, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 764, 765, 766,
&end
#
# 45 ILE QG2 62 PRO HG+ 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 1065, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 764, 765, 766,
&end
#
# 45 ILE QG2 62 PRO HG- 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 1066, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 764, 765, 766,
&end
#
# 45 ILE HG1+ 63 LEU QD+ 3.89
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 1084, 1085, 1086,
&end
#
# 45 ILE QD1 63 LEU QD+ 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 771, 772, 773,
igr2= 1084, 1085, 1086,
&end
#
# 45 ILE QG2 63 LEU QD+ 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 764, 765, 766,
igr2= 1084, 1085, 1086,
&end
#
# 48 TRP HE3 60 VAL QG- 6.43
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 1035, 1036, 1037,
&end
#
# 48 TRP HE3 60 VAL QG+ 4.62
&rst
ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 1031, 1032, 1033,
&end
#
# 48 TRP HH2 60 VAL HB 3.80
&rst
ixpk= 0, nxpk= 0, iat= 820, 1029, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 48 TRP HH2 60 VAL QG- 6.24
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 1035, 1036, 1037,
&end
#
# 48 TRP HH2 60 VAL QG+ 4.32
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 1031, 1032, 1033,
&end
#
# 48 TRP HZ3 60 VAL HB 3.80
&rst
ixpk= 0, nxpk= 0, iat= 822, 1029, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 48 TRP HZ3 60 VAL QG- 6.12
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 1035, 1036, 1037,
&end
#
# 48 TRP HZ3 60 VAL QG+ 3.60
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 1031, 1032, 1033,
&end
#
# 51 LYS+ HB+ 60 VAL QG- 5.76
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 1035, 1036, 1037,
&end
#
# 51 LYS+ HB- 60 VAL QG- 4.92
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 1035, 1036, 1037,
&end
#
# 51 LYS+ HB+ 60 VAL QG+ 4.50
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 1031, 1032, 1033,
&end
#
# 51 LYS+ HB- 60 VAL QG+ 3.60
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 1031, 1032, 1033,
&end
#
# 51 LYS+ QG 60 VAL QG- 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 873, 874,
igr2= 1035, 1036, 1037,
&end
#
# 51 LYS+ QG 60 VAL QG+ 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 873, 874,
igr2= 1031, 1032, 1033,
&end
#
# 51 LYS+ QD 60 VAL QG- 5.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 876, 877,
igr2= 1035, 1036, 1037,
&end
#
# 51 LYS+ QD 60 VAL QG+ 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 876, 877,
igr2= 1031, 1032, 1033,
&end
#
# 51 LYS+ HE2 60 VAL QG- 6.12
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 1035, 1036, 1037,
&end
#
# 51 LYS+ HE2 60 VAL QG+ 5.10
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 1031, 1032, 1033,
&end
#
# 51 LYS+ HE3 60 VAL QG- 6.24
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 1035, 1036, 1037,
&end
#
# 51 LYS+ HE3 60 VAL QG+ 5.28
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 1031, 1032, 1033,
&end
#
# 53 PRO HA 54 CYSZ H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 919, 923, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 54 CYSZ HA 55 ARG+ H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 925, 933, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 58 GLU- HA 59 LYS+ H 3.25
&rst
ixpk= 0, nxpk= 0, iat= 990, 1003, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 59 LYS+ HA 60 VAL H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 1005, 1025, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 60 VAL HA 61 PHE H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 1027, 1041, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 59 LYS+ HB+ 60 VAL H 4.36
&rst
ixpk= 0, nxpk= 0, iat= 1007, 1025, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 59 LYS+ HB- 60 VAL H 4.05
&rst
ixpk= 0, nxpk= 0, iat= 1008, 1025, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 60 VAL HB 61 PHE H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 1029, 1041, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 53 PRO HA 60 VAL HA 3.59
&rst
ixpk= 0, nxpk= 0, iat= 919, 1027, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 53 PRO HA 61 PHE H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 919, 1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 CYSZ H 60 VAL HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 923, 1027, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 TYR H 61 PHE H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 888, 1041, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 CYSZ H 59 LYS+ H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 923, 1003, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 TYR HA 57 CYS- H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 959, 978, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 57 CYS- HA 58 GLU- H 3.60
&rst
ixpk= 0, nxpk= 0, iat= 980, 988, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 55 ARG+ H 56 TYR H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 933, 957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 TYR H 57 CYS- H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 957, 978, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 ALA H 65 GLU- H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1094, 1104, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 65 GLU- H 66 TYR H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1104, 1119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 TYR H 67 ARG+ H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1119, 1140, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 67 ARG+ H 68 THR H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1140, 1164, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 68 THR H 69 LYS+ H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1164, 1178, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 69 LYS+ H 70 HIS H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1178, 1200, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 70 HIS H 71 GLU- H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1200, 1217, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 71 GLU- H 72 ILE H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1217, 1232, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 72 ILE H 73 HIS H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1232, 1251, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 73 HIS H 74 HIS H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1251, 1269, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 74 HIS H 75 THR H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1269, 1286, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 68 THR H 70 HIS H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1164, 1200, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 LYS+ H 71 GLU- H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1178, 1217, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 HIS H 72 ILE H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1200, 1232, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 HIS H 75 THR H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1251, 1286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 ALA HA 67 ARG+ H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 1096, 1140, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 65 GLU- HA 68 THR H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 1106, 1164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 TYR HA 69 LYS+ H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 1121, 1178, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 68 THR HA 71 GLU- H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 1166, 1217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 LYS+ HA 72 ILE H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 1180, 1232, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 70 HIS HA 73 HIS H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 1202, 1251, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 71 GLU- HA 74 HIS H 3.52
&rst
ixpk= 0, nxpk= 0, iat= 1219, 1269, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 69 LYS+ HA 73 HIS H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1180, 1251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 GLU- HA 68 THR HB 4.55
&rst
ixpk= 0, nxpk= 0, iat= 1106, 1168, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 68 THR HA 71 GLU- HB+ 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1166, 1221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 THR HA 71 GLU- HB- 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1166, 1222, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 LYS+ HA 72 ILE HB 4.61
&rst
ixpk= 0, nxpk= 0, iat= 1180, 1236, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 70 HIS HA 73 HIS QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= 1202, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 1255, 1256,
&end
#
# 51 LYS+ HA 52 TYR H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 868, 888, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 51 LYS+ HA 52 TYR QD 4.55
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 896, 905,
&end
#
# 52 TYR H 52 TYR QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 896, 905,
&end
#
# 52 TYR H 52 TYR QE 5.37
&rst
ixpk= 0, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 898, 903,
&end
#
# 54 CYSZ H 54 CYSZ HB+ 3.74
&rst
ixpk= 0, nxpk= 0, iat= 923, 928, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 54 CYSZ H 54 CYSZ HB- 3.71
&rst
ixpk= 0, nxpk= 0, iat= 923, 927, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 55 ARG+ H 55 ARG+ HB+ 4.00
&rst
ixpk= 0, nxpk= 0, iat= 933, 937, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 55 ARG+ H 55 ARG+ HB- 3.72
&rst
ixpk= 0, nxpk= 0, iat= 933, 938, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 55 ARG+ H 55 ARG+ HG+ 3.87
&rst
ixpk= 0, nxpk= 0, iat= 933, 940, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 55 ARG+ H 55 ARG+ HG- 4.64
&rst
ixpk= 0, nxpk= 0, iat= 933, 941, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 55 ARG+ H 55 ARG+ HD3 4.54
&rst
ixpk= 0, nxpk= 0, iat= 933, 944, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 55 ARG+ HB+ 56 TYR QE 5.89
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 967, 972,
&end
#
# 55 ARG+ HB- 56 TYR QE 5.72
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 967, 972,
&end
#
# 55 ARG+ HG+ 56 TYR QE 4.38
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 967, 972,
&end
#
# 55 ARG+ HG- 56 TYR QE 4.71
&rst
ixpk= 0, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 967, 972,
&end
#
# 56 TYR H 56 TYR QD 4.83
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 965, 974,
&end
#
# 56 TYR H 56 TYR QE 6.12
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 967, 972,
&end
#
# 58 GLU- H 58 GLU- HG+ 3.39
&rst
ixpk= 0, nxpk= 0, iat= 988, 995, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 58 GLU- H 58 GLU- HG- 3.49
&rst
ixpk= 0, nxpk= 0, iat= 988, 996, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 58 GLU- HG- 59 LYS+ H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 996, 1003, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 59 LYS+ H 59 LYS+ QD 4.99
&rst
ixpk= 0, nxpk= 0, iat= 1003, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 1013, 1014,
&end
#
# 59 LYS+ HA 60 VAL QG- 4.65
&rst
ixpk= 0, nxpk= 0, iat= 1005, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 1035, 1036, 1037,
&end
#
# 61 PHE H 61 PHE QD 6.17
&rst
ixpk= 0, nxpk= 0, iat= 1041, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 1049, 1057,
&end
#
# 65 GLU- H 65 GLU- HG- 3.50
&rst
ixpk= 0, nxpk= 0, iat= 1104, 1112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 ARG+ HB+ 67 ARG+ HE 3.90
&rst
ixpk= 0, nxpk= 0, iat= 1144, 1153, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 67 ARG+ HB- 67 ARG+ HE 3.34
&rst
ixpk= 0, nxpk= 0, iat= 1145, 1153, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 67 ARG+ HG- 68 THR H 3.45
&rst
ixpk= 0, nxpk= 0, iat= 1148, 1164, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 69 LYS+ H 69 LYS+ QG 3.98
&rst
ixpk= 0, nxpk= 0, iat= 1178, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 1185, 1186,
&end
#
# 69 LYS+ H 69 LYS+ HE3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 1178, 1192, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 71 GLU- H 71 GLU- HB+ 3.03
&rst
ixpk= 0, nxpk= 0, iat= 1217, 1221, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 71 GLU- H 71 GLU- QG 3.42
&rst
ixpk= 0, nxpk= 0, iat= 1217, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 1224, 1225,
&end
#
# 72 ILE QG2 73 HIS QB 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 1238, 1239, 1240,
igr2= 1255, 1256,
&end
#
# 73 HIS HA 73 HIS HD2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 1253, 1265, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 51 LYS+ HB+ 53 PRO HD3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 870, 911, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 52 TYR H 60 VAL QG- 5.88
&rst
ixpk= 0, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 1035, 1036, 1037,
&end
#
# 52 TYR H 60 VAL QG+ 4.77
&rst
ixpk= 0, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 1031, 1032, 1033,
&end
#
# 52 TYR HB+ 61 PHE H 5.11
&rst
ixpk= 0, nxpk= 0, iat= 892, 1041, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 52 TYR HB- 61 PHE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 893, 1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 TYR HB- 64 ALA HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 893, 1096, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 52 TYR QD 64 ALA HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 1096, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 896, 905,
&end
#
# 52 TYR QD 64 ALA QB 6.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 896, 905,
igr2= 1098, 1099, 1100,
&end
#
# 53 PRO HA 60 VAL QG- 4.14
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 1035, 1036, 1037,
&end
#
# 53 PRO HA 60 VAL QG+ 4.44
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 1031, 1032, 1033,
&end
#
# 53 PRO HB+ 60 VAL QG- 4.92
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 1035, 1036, 1037,
&end
#
# 53 PRO HB+ 60 VAL QG+ 5.58
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 1031, 1032, 1033,
&end
#
# 53 PRO HB- 60 VAL QG- 3.84
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 1035, 1036, 1037,
&end
#
# 53 PRO HB- 60 VAL QG+ 5.10
&rst
ixpk= 0, nxpk= 0, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 1031, 1032, 1033,
&end
#
# 53 PRO HG+ 60 VAL QG- 5.82
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 1035, 1036, 1037,
&end
#
# 53 PRO HG+ 60 VAL QG+ 5.70
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 1031, 1032, 1033,
&end
#
# 53 PRO HG- 60 VAL QG- 5.04
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 1035, 1036, 1037,
&end
#
# 53 PRO HG- 60 VAL QG+ 4.92
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 1031, 1032, 1033,
&end
#
# 53 PRO HD2 60 VAL QG- 6.24
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 1035, 1036, 1037,
&end
#
# 53 PRO HD2 60 VAL QG+ 5.16
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 1031, 1032, 1033,
&end
#
# 53 PRO HD3 60 VAL QG- 5.64
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 1035, 1036, 1037,
&end
#
# 53 PRO HD3 60 VAL QG+ 4.20
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 1031, 1032, 1033,
&end
#
# 54 CYSZ H 60 VAL QG- 5.31
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 1035, 1036, 1037,
&end
#
# 54 CYSZ HB+ 57 CYS- H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 928, 978, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 CYSZ HB- 57 CYS- H 3.96
&rst
ixpk= 0, nxpk= 0, iat= 927, 978, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 54 CYSZ HB+ 59 LYS+ H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 928, 1003, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 54 CYSZ HB- 59 LYS+ H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 927, 1003, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 56 TYR QE 71 GLU- HB+ 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 1221, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 967, 972,
&end
#
# 56 TYR QE 71 GLU- HB- 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 1222, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1= 967, 972,
&end
#
# 56 TYR QE 71 GLU- QG 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 967, 972,
igr2= 1224, 1225,
&end
#
# 56 TYR QE 74 HIS HB+ 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 1273, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 967, 972,
&end
#
# 56 TYR QE 74 HIS HB- 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 1274, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 967, 972,
&end
#
# 57 CYS- HA 74 HIS HE1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 980, 1279, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 57 CYS- HB+ 74 HIS HE1 4.38
&rst
ixpk= 0, nxpk= 0, iat= 983, 1279, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 57 CYS- HB- 74 HIS HE1 3.75
&rst
ixpk= 0, nxpk= 0, iat= 982, 1279, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 59 LYS+ QD 61 PHE QD 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 1013, 1014,
igr2= 1049, 1057,
&end
#
# 59 LYS+ QD 61 PHE QE 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 1013, 1014,
igr2= 1051, 1055,
&end
#
# 59 LYS+ HE2 61 PHE QD 6.17
&rst
ixpk= 0, nxpk= 0, iat= 1016, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 1049, 1057,
&end
#
# 59 LYS+ HE2 61 PHE QE 5.70
&rst
ixpk= 0, nxpk= 0, iat= 1016, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 1051, 1055,
&end
#
# 59 LYS+ QD 70 HIS HE1 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 1210, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 1013, 1014,
&end
#
# 59 LYS+ HE2 70 HIS HE1 5.05
&rst
ixpk= 0, nxpk= 0, iat= 1016, 1210, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 59 LYS+ HE3 70 HIS HE1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 1017, 1210, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 61 PHE HA 63 LEU H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 1043, 1075, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 61 PHE HB+ 63 LEU H 4.20
&rst
ixpk= 0, nxpk= 0, iat= 1045, 1075, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 61 PHE HB- 63 LEU H 3.78
&rst
ixpk= 0, nxpk= 0, iat= 1046, 1075, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 63 LEU HB+ 66 TYR H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 1079, 1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 LEU HB- 66 TYR H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 1080, 1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 LEU QD- 66 TYR H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 1119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1088, 1089, 1090,
&end
#
# 63 LEU QD+ 66 TYR QD 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 1084, 1085, 1086,
igr2= 1127, 1136,
&end
#
# 63 LEU QD+ 66 TYR QE 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 1084, 1085, 1086,
igr2= 1129, 1134,
&end
#
# 63 LEU QD- 66 TYR QD 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 1088, 1089, 1090,
igr2= 1127, 1136,
&end
#
# 63 LEU QD- 66 TYR QE 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 1088, 1089, 1090,
igr2= 1129, 1134,
&end
#
# 65 GLU- QB 69 LYS+ HE3 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 1192, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 1108, 1109,
&end
#
# 69 LYS+ HA 72 ILE HB 3.30
&rst
ixpk= 0, nxpk= 0, iat= 1180, 1236, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 69 LYS+ HA 72 ILE HG1- 4.64
&rst
ixpk= 0, nxpk= 0, iat= 1180, 1243, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 69 LYS+ HA 72 ILE QD1 5.27
&rst
ixpk= 0, nxpk= 0, iat= 1180, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 1245, 1246, 1247,
&end
#
# 69 LYS+ HA 72 ILE QG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 1180, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 1238, 1239, 1240,
&end
#
# 69 LYS+ HB+ 72 ILE QD1 6.06
&rst
ixpk= 0, nxpk= 0, iat= 1182, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 1245, 1246, 1247,
&end
#
# 69 LYS+ HB- 72 ILE QD1 5.58
&rst
ixpk= 0, nxpk= 0, iat= 1183, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 1245, 1246, 1247,
&end
#
# 69 LYS+ HD3 72 ILE QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 1189, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 1245, 1246, 1247,
&end
#
# 71 GLU- HA 74 HIS HD2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 1219, 1282, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 72 ILE QG2 75 THR H 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 1286, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 1238, 1239, 1240,
&end
#
# 72 ILE QG2 77 GLU- H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 1307, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 1238, 1239, 1240,
&end
#
# 72 ILE QG2 77 GLU- HB+ 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 1311, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 1238, 1239, 1240,
&end
#
# 72 ILE QD1 77 GLU- HB+ 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 1311, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1245, 1246, 1247,
&end
#
# 72 ILE QD1 77 GLU- HG+ 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 1314, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 1245, 1246, 1247,
&end
#
# 75 THR HB 77 GLU- H 4.27
&rst
ixpk= 0, nxpk= 0, iat= 1290, 1307, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 75 THR QG2 77 GLU- H 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 1307, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 1292, 1293, 1294,
&end
#
# 56 TYR QD 122 LEU QD- 6.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 965, 974,
igr2= 2040, 2041, 2042,
&end
#
# 56 TYR QE 122 LEU QD- 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 967, 972,
igr2= 2040, 2041, 2042,
&end
#
# 68 THR QG2 122 LEU QD- 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 1170, 1171, 1172,
igr2= 2040, 2041, 2042,
&end
#
# 68 THR QG2 122 LEU QD+ 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 1170, 1171, 1172,
igr2= 2036, 2037, 2038,
&end
#
# 68 THR QG2 124 ILE QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 1170, 1171, 1172,
igr2= 2076, 2077, 2078,
&end
#
# 68 THR QG2 124 ILE QG2 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 1170, 1171, 1172,
igr2= 2069, 2070, 2071,
&end
#
# 71 GLU- HB+ 122 LEU HG 4.95
&rst
ixpk= 0, nxpk= 0, iat= 1221, 2034, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 71 GLU- HB- 122 LEU HG 5.19
&rst
ixpk= 0, nxpk= 0, iat= 1222, 2034, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 71 GLU- HB+ 122 LEU QD- 5.04
&rst
ixpk= 0, nxpk= 0, iat= 1221, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 2040, 2041, 2042,
&end
#
# 71 GLU- HB- 122 LEU QD- 4.80
&rst
ixpk= 0, nxpk= 0, iat= 1222, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 2040, 2041, 2042,
&end
#
# 72 ILE QG2 90 ILE HG1+ 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 1527, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 1238, 1239, 1240,
&end
#
# 72 ILE QG2 90 ILE HG1- 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 1528, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 1238, 1239, 1240,
&end
#
# 72 ILE QG2 90 ILE QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 1238, 1239, 1240,
igr2= 1530, 1531, 1532,
&end
#
# 72 ILE HA 122 LEU HG 4.93
&rst
ixpk= 0, nxpk= 0, iat= 1234, 2034, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 72 ILE HA 122 LEU QD- 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1234, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 2040, 2041, 2042,
&end
#
# 72 ILE HG1- 122 LEU QD- 4.28
&rst
ixpk= 0, nxpk= 0, iat= 1243, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 2040, 2041, 2042,
&end
#
# 72 ILE HG1- 122 LEU HG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1243, 2034, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 HIS HA 90 ILE QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat= 1253, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 1530, 1531, 1532,
&end
#
# 73 HIS QB 90 ILE QD1 6.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 1255, 1256,
igr2= 1530, 1531, 1532,
&end
#
# 73 HIS QB 90 ILE QG2 6.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 1255, 1256,
igr2= 1523, 1524, 1525,
&end
#
# 73 HIS HD2 90 ILE QD1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 1265, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 1530, 1531, 1532,
&end
#
# 73 HIS HE1 90 ILE QD1 5.76
&rst
ixpk= 0, nxpk= 0, iat= 1261, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 1530, 1531, 1532,
&end
#
# 73 HIS HE1 90 ILE QG2 5.64
&rst
ixpk= 0, nxpk= 0, iat= 1261, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 1523, 1524, 1525,
&end
#
# 75 THR HB 121 SER HB+ 3.95
&rst
ixpk= 0, nxpk= 0, iat= 1290, 2020, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 75 THR HB 121 SER HB- 3.90
&rst
ixpk= 0, nxpk= 0, iat= 1290, 2021, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 75 THR QG2 121 SER HB+ 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 2020, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 1292, 1293, 1294,
&end
#
# 75 THR QG2 121 SER HB- 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 2021, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 1292, 1293, 1294,
&end
#
# 76 GLY HA+ 90 ILE QD1 5.06
&rst
ixpk= 0, nxpk= 0, iat= 1302, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 1530, 1531, 1532,
&end
#
# 76 GLY HA- 90 ILE QD1 5.40
&rst
ixpk= 0, nxpk= 0, iat= 1303, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 1530, 1531, 1532,
&end
#
# 78 ARG+ QB 88 SER HB+ 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 1490, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 1326, 1327,
&end
#
# 78 ARG+ QB 88 SER HB- 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 1491, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 1326, 1327,
&end
#
# 78 ARG+ HG+ 88 SER HB+ 4.46
&rst
ixpk= 0, nxpk= 0, iat= 1329, 1490, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 78 ARG+ HG+ 88 SER HB- 4.60
&rst
ixpk= 0, nxpk= 0, iat= 1329, 1491, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 78 ARG+ QD 88 SER HB+ 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 1490, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 1332, 1333,
&end
#
# 78 ARG+ QD 88 SER HB- 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 1491, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 1332, 1333,
&end
#
# 78 ARG+ QD 90 ILE HA 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 1519, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1332, 1333,
&end
#
# 78 ARG+ QD 90 ILE HB 6.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 1521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 1332, 1333,
&end
#
# 78 ARG+ QD 90 ILE QD1 6.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 1332, 1333,
igr2= 1530, 1531, 1532,
&end
#
# 81 GLN HA 82 CYSZ H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 1393, 1408, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 87 LYS+ HA 88 SER H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 1466, 1486, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 88 SER HA 89 PHE H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 1488, 1497, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 114 TYR HA 115 ARG+ H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 1887, 1906, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 115 ARG+ HA 116 LEU H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 1908, 1930, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 80 TYR HB+ 81 GLN H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1374, 1391, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 TYR HB- 81 GLN H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1375, 1391, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLN HB+ 82 CYSZ H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 1395, 1408, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 81 GLN HB- 82 CYSZ H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 1396, 1408, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 87 LYS+ HB+ 88 SER H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 1468, 1486, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 87 LYS+ HB- 88 SER H 3.90
&rst
ixpk= 0, nxpk= 0, iat= 1469, 1486, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 88 SER HB+ 89 PHE H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 1490, 1497, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 88 SER HB- 89 PHE H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 1491, 1497, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 114 TYR HB+ 115 ARG+ H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 1889, 1906, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 114 TYR HB- 115 ARG+ H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 1890, 1906, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 115 ARG+ HB+ 116 LEU H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 1910, 1930, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 115 ARG+ HB- 116 LEU H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1911, 1930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLN HA 88 SER HA 3.80
&rst
ixpk= 0, nxpk= 0, iat= 1393, 1488, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 82 CYSZ HA 114 TYR HA 3.75
&rst
ixpk= 0, nxpk= 0, iat= 1410, 1887, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 81 GLN H 116 LEU HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 1391, 1932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 GLN HA 89 PHE H 3.60
&rst
ixpk= 0, nxpk= 0, iat= 1393, 1497, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 82 CYSZ H 88 SER HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 1408, 1488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 CYSZ HA 115 ARG+ H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 1410, 1906, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 83 LEU H 114 TYR HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= 1418, 1887, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 80 TYR H 89 PHE H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 1370, 1497, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 81 GLN H 115 ARG+ H 4.27
&rst
ixpk= 0, nxpk= 0, iat= 1391, 1906, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 82 CYSZ H 87 LYS+ H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 1408, 1464, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 92 TYR H 93 GLN H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1550, 1571, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 93 GLN H 94 PHE H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1571, 1588, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 94 PHE H 95 MET H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1588, 1608, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 95 MET H 96 SER H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1608, 1625, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 96 SER H 97 SER H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1625, 1636, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 SER H 98 HIS H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1636, 1647, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 98 HIS H 99 ILE H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1647, 1664, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 99 ILE H 100 LYS+ H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1664, 1683, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 LYS+ H 101 SER H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1683, 1705, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 101 SER H 102 VAL H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1705, 1716, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 102 VAL H 103 HIS H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1716, 1732, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 103 HIS H 104 SER H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1732, 1749, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 95 MET H 97 SER H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1608, 1636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 SER H 98 HIS H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1625, 1647, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 HIS H 100 LYS+ H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1647, 1683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 SER H 103 HIS H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1705, 1732, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 LYS+ HA 102 VAL H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 1685, 1716, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 93 GLN HA 96 SER H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 1573, 1625, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 94 PHE HA 97 SER H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 1590, 1636, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 95 MET HA 98 HIS H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 1610, 1647, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 97 SER HA 100 LYS+ H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 1638, 1683, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 99 ILE HA 102 VAL H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 1666, 1716, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 100 LYS+ HA 103 HIS H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1685, 1732, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 93 GLN HA 97 SER H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1573, 1636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 MET HA 99 ILE H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1610, 1664, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 SER HA 100 LYS+ H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 1627, 1683, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 97 SER HA 101 SER H 4.26
&rst
ixpk= 0, nxpk= 0, iat= 1638, 1705, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 98 HIS HA 102 VAL H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 1649, 1716, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 99 ILE HA 103 HIS H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 1666, 1732, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 94 PHE HA 97 SER HB+ 4.12
&rst
ixpk= 0, nxpk= 0, iat= 1590, 1640, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 94 PHE HA 97 SER HB- 4.20
&rst
ixpk= 0, nxpk= 0, iat= 1590, 1641, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 97 SER HA 100 LYS+ QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= 1638, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 1687, 1688,
&end
#
# 80 TYR H 80 TYR QE 5.46
&rst
ixpk= 0, nxpk= 0, iat= 1370, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 1380, 1385,
&end
#
# 80 TYR H 80 TYR QD 4.03
&rst
ixpk= 0, nxpk= 0, iat= 1370, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 1378, 1387,
&end
#
# 81 GLN HG- 81 GLN HE2- 4.09
&rst
ixpk= 0, nxpk= 0, iat= 1399, 1404, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 81 GLN HG+ 81 GLN HE2+ 3.64
&rst
ixpk= 0, nxpk= 0, iat= 1398, 1403, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 81 GLN HG- 81 GLN HE2+ 3.58
&rst
ixpk= 0, nxpk= 0, iat= 1399, 1403, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 82 CYSZ H 82 CYSZ HB+ 3.92
&rst
ixpk= 0, nxpk= 0, iat= 1408, 1413, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 82 CYSZ H 82 CYSZ HB- 3.97
&rst
ixpk= 0, nxpk= 0, iat= 1408, 1412, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 84 ALA QB 85 CYS- HB- 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 1451, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 1441, 1442, 1443,
&end
#
# 84 ALA QB 85 CYS- HB+ 5.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 1452, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 1441, 1442, 1443,
&end
#
# 85 CYS- H 85 CYS- HB+ 3.84
&rst
ixpk= 0, nxpk= 0, iat= 1447, 1452, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 85 CYS- H 85 CYS- HB- 3.75
&rst
ixpk= 0, nxpk= 0, iat= 1447, 1451, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 88 SER H 88 SER HB+ 3.69
&rst
ixpk= 0, nxpk= 0, iat= 1486, 1490, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 88 SER H 88 SER HB- 3.71
&rst
ixpk= 0, nxpk= 0, iat= 1486, 1491, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 89 PHE H 89 PHE QD 4.41
&rst
ixpk= 0, nxpk= 0, iat= 1497, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 1505, 1513,
&end
#
# 89 PHE H 89 PHE QE 5.33
&rst
ixpk= 0, nxpk= 0, iat= 1497, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 1507, 1511,
&end
#
# 90 ILE QG2 91 ASN HD2- 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 1546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1523, 1524, 1525,
&end
#
# 91 ASN H 91 ASN HB+ 4.00
&rst
ixpk= 0, nxpk= 0, iat= 1536, 1540, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 91 ASN H 91 ASN HB- 3.60
&rst
ixpk= 0, nxpk= 0, iat= 1536, 1541, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 91 ASN HB+ 92 TYR H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1540, 1550, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 93 GLN H 93 GLN HE2+ 4.87
&rst
ixpk= 0, nxpk= 0, iat= 1571, 1583, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 93 GLN H 93 GLN HE2- 4.17
&rst
ixpk= 0, nxpk= 0, iat= 1571, 1584, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 95 MET QE 96 SER HB+ 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 1629, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 1619, 1620, 1621,
&end
#
# 96 SER H 96 SER HB- 3.76
&rst
ixpk= 0, nxpk= 0, iat= 1625, 1630, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 96 SER HB- 97 SER H 3.94
&rst
ixpk= 0, nxpk= 0, iat= 1630, 1636, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 96 SER HB- 97 SER HB+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 1630, 1640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 SER H 97 SER HB+ 2.93
&rst
ixpk= 0, nxpk= 0, iat= 1636, 1640, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 97 SER H 97 SER HB- 2.98
&rst
ixpk= 0, nxpk= 0, iat= 1636, 1641, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 98 HIS HD2 99 ILE QG2 5.58
&rst
ixpk= 0, nxpk= 0, iat= 1660, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 1670, 1671, 1672,
&end
#
# 100 LYS+ H 100 LYS+ HG+ 3.82
&rst
ixpk= 0, nxpk= 0, iat= 1683, 1690, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 100 LYS+ H 100 LYS+ HG- 3.39
&rst
ixpk= 0, nxpk= 0, iat= 1683, 1691, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 100 LYS+ H 100 LYS+ QE 5.65
&rst
ixpk= 0, nxpk= 0, iat= 1683, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 1696, 1697,
&end
#
# 100 LYS+ QB 101 SER QB 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 1687, 1688,
igr2= 1709, 1710,
&end
#
# 101 SER QB 102 VAL QG- 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 1709, 1710,
igr2= 1726, 1727, 1728,
&end
#
# 102 VAL QG+ 103 HIS HE1 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 1742, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 1722, 1723, 1724,
&end
#
# 102 VAL QG+ 103 HIS HD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 1745, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 1722, 1723, 1724,
&end
#
# 102 VAL QG- 103 HIS HD2 5.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 1745, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 1726, 1727, 1728,
&end
#
# 104 SER HB+ 105 GLN H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 1753, 1760, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 104 SER HB- 105 GLN H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 1754, 1760, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 111 SER H 112 LYS+ H 3.20
&rst
ixpk= 0, nxpk= 0, iat= 1833, 1844, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 112 LYS+ HA 113 LEU H 3.02
&rst
ixpk= 0, nxpk= 0, iat= 1846, 1866, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 115 ARG+ H 115 ARG+ HB+ 3.96
&rst
ixpk= 0, nxpk= 0, iat= 1906, 1910, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 115 ARG+ H 115 ARG+ HB- 3.94
&rst
ixpk= 0, nxpk= 0, iat= 1906, 1911, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 115 ARG+ H 115 ARG+ HG+ 4.85
&rst
ixpk= 0, nxpk= 0, iat= 1906, 1913, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 115 ARG+ H 115 ARG+ HG- 4.70
&rst
ixpk= 0, nxpk= 0, iat= 1906, 1914, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 115 ARG+ H 115 ARG+ HD2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 1906, 1916, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 115 ARG+ HG+ 116 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 1913, 1930, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 115 ARG+ HG- 116 LEU H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 1914, 1930, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 115 ARG+ HD3 116 LEU H 5.42
&rst
ixpk= 0, nxpk= 0, iat= 1917, 1930, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 117 HIS H 117 HIS HB+ 4.36
&rst
ixpk= 0, nxpk= 0, iat= 1949, 1953, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 117 HIS H 117 HIS HB- 4.35
&rst
ixpk= 0, nxpk= 0, iat= 1949, 1954, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 117 HIS H 117 HIS HD2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 1949, 1963, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 79 ARG+ HE 116 LEU QD- 4.68
&rst
ixpk= 0, nxpk= 0, iat= 1359, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 1943, 1944, 1945,
&end
#
# 79 ARG+ HE 116 LEU HG 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1359, 1937, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 ARG+ HA 116 LEU QD- 4.48
&rst
ixpk= 0, nxpk= 0, iat= 1348, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 1943, 1944, 1945,
&end
#
# 79 ARG+ HB+ 116 LEU QD- 5.07
&rst
ixpk= 0, nxpk= 0, iat= 1350, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 1943, 1944, 1945,
&end
#
# 79 ARG+ HB- 116 LEU QD- 5.43
&rst
ixpk= 0, nxpk= 0, iat= 1351, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 1943, 1944, 1945,
&end
#
# 80 TYR H 89 PHE HB+ 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1370, 1501, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 TYR HB+ 89 PHE H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 1374, 1497, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 80 TYR QD 91 ASN H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 1536, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 1378, 1387,
&end
#
# 80 TYR QE 91 ASN H 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 1536, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 1380, 1385,
&end
#
# 80 TYR QE 91 ASN HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 1538, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 1380, 1385,
&end
#
# 80 TYR QE 116 LEU QD- 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 1380, 1385,
igr2= 1943, 1944, 1945,
&end
#
# 80 TYR QD 116 LEU HG 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 1937, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1378, 1387,
&end
#
# 80 TYR QD 116 LEU QD- 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 1378, 1387,
igr2= 1943, 1944, 1945,
&end
#
# 80 TYR QE 116 LEU HG 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 1937, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 1380, 1385,
&end
#
# 81 GLN H 115 ARG+ HB- 4.75
&rst
ixpk= 0, nxpk= 0, iat= 1391, 1911, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 81 GLN HB- 115 ARG+ H 4.19
&rst
ixpk= 0, nxpk= 0, iat= 1396, 1906, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 81 GLN HG+ 115 ARG+ H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 1398, 1906, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 GLN HB- 117 HIS HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1396, 1963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLN HG+ 117 HIS HD2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 1398, 1963, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 81 GLN HB+ 83 LEU QD- 6.20
&rst
ixpk= 0, nxpk= 0, iat= 1395, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 1431, 1432, 1433,
&end
#
# 81 GLN HB- 83 LEU QD- 6.08
&rst
ixpk= 0, nxpk= 0, iat= 1396, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 1431, 1432, 1433,
&end
#
# 81 GLN HG+ 83 LEU QD- 6.00
&rst
ixpk= 0, nxpk= 0, iat= 1398, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 1431, 1432, 1433,
&end
#
# 81 GLN HG- 83 LEU QD- 6.29
&rst
ixpk= 0, nxpk= 0, iat= 1399, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 1431, 1432, 1433,
&end
#
# 81 GLN HA 88 SER HB+ 5.30
&rst
ixpk= 0, nxpk= 0, iat= 1393, 1490, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 81 GLN HG- 88 SER HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= 1399, 1488, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 82 CYSZ H 89 PHE QE 4.77
&rst
ixpk= 0, nxpk= 0, iat= 1408, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 1507, 1511,
&end
#
# 82 CYSZ H 89 PHE QD 4.60
&rst
ixpk= 0, nxpk= 0, iat= 1408, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 1505, 1513,
&end
#
# 82 CYSZ HB+ 89 PHE QE 5.05
&rst
ixpk= 0, nxpk= 0, iat= 1413, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 1507, 1511,
&end
#
# 82 CYSZ HB+ 89 PHE QD 4.83
&rst
ixpk= 0, nxpk= 0, iat= 1413, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 1505, 1513,
&end
#
# 82 CYSZ HB+ 87 LYS+ H 4.05
&rst
ixpk= 0, nxpk= 0, iat= 1413, 1464, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 82 CYSZ HB- 87 LYS+ H 3.99
&rst
ixpk= 0, nxpk= 0, iat= 1412, 1464, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 82 CYSZ HA 99 ILE QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat= 1410, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 1677, 1678, 1679,
&end
#
# 83 LEU QD+ 113 LEU HA 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 1868, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 1427, 1428, 1429,
&end
#
# 83 LEU HB+ 114 TYR HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= 1422, 1887, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 83 LEU HB- 114 TYR HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= 1423, 1887, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 83 LEU HG 114 TYR H 4.51
&rst
ixpk= 0, nxpk= 0, iat= 1425, 1885, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 83 LEU HG 114 TYR HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= 1425, 1887, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 83 LEU QD- 114 TYR HA 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 1887, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 1431, 1432, 1433,
&end
#
# 83 LEU QD+ 114 TYR H 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 1885, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 1427, 1428, 1429,
&end
#
# 83 LEU QD+ 114 TYR HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 1887, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 1427, 1428, 1429,
&end
#
# 83 LEU HG 115 ARG+ H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 1425, 1906, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 LEU QD+ 115 ARG+ H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 1906, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 1427, 1428, 1429,
&end
#
# 83 LEU QD+ 115 ARG+ HB+ 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 1910, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 1427, 1428, 1429,
&end
#
# 83 LEU QD+ 115 ARG+ HB- 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 1911, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 1427, 1428, 1429,
&end
#
# 83 LEU QD+ 115 ARG+ HG+ 5.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 1913, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 1427, 1428, 1429,
&end
#
# 83 LEU QD+ 115 ARG+ HG- 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 1914, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 1427, 1428, 1429,
&end
#
# 83 LEU QD+ 115 ARG+ HD2 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 1916, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 1427, 1428, 1429,
&end
#
# 83 LEU QD+ 115 ARG+ HD3 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 1917, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 1427, 1428, 1429,
&end
#
# 83 LEU QD- 115 ARG+ H 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 1906, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 1431, 1432, 1433,
&end
#
# 83 LEU QD- 115 ARG+ HB+ 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 1910, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 1431, 1432, 1433,
&end
#
# 83 LEU QD- 115 ARG+ HB- 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 1911, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 1431, 1432, 1433,
&end
#
# 83 LEU QD- 115 ARG+ HG+ 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 1913, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 1431, 1432, 1433,
&end
#
# 83 LEU QD- 115 ARG+ HG- 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 1914, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 1431, 1432, 1433,
&end
#
# 83 LEU QD- 115 ARG+ HD2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 1916, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 1431, 1432, 1433,
&end
#
# 83 LEU QD- 115 ARG+ HD3 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 1917, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 1431, 1432, 1433,
&end
#
# 84 ALA QB 103 HIS HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 1745, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 1441, 1442, 1443,
&end
#
# 84 ALA QB 103 HIS HE1 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 1742, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 1441, 1442, 1443,
&end
#
# 85 CYS- HA 103 HIS HE1 4.28
&rst
ixpk= 0, nxpk= 0, iat= 1449, 1742, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 85 CYS- HB+ 103 HIS HE1 4.25
&rst
ixpk= 0, nxpk= 0, iat= 1452, 1742, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 85 CYS- HB- 103 HIS HE1 4.07
&rst
ixpk= 0, nxpk= 0, iat= 1451, 1742, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 87 LYS+ HB+ 89 PHE QE 4.27
&rst
ixpk= 0, nxpk= 0, iat= 1468, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 1507, 1511,
&end
#
# 87 LYS+ HB+ 89 PHE HZ 4.35
&rst
ixpk= 0, nxpk= 0, iat= 1468, 1509, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 87 LYS+ HB- 89 PHE QE 4.97
&rst
ixpk= 0, nxpk= 0, iat= 1469, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 1507, 1511,
&end
#
# 87 LYS+ QD 89 PHE HZ 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 1509, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1474, 1475,
&end
#
# 87 LYS+ QE 89 PHE QE 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 1477, 1478,
igr2= 1507, 1511,
&end
#
# 87 LYS+ QE 89 PHE HZ 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 1509, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 1477, 1478,
&end
#
# 87 LYS+ QD 98 HIS HE1 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 1657, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 1474, 1475,
&end
#
# 87 LYS+ QE 98 HIS HE1 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 1657, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 1477, 1478,
&end
#
# 89 PHE HB- 91 ASN H 3.53
&rst
ixpk= 0, nxpk= 0, iat= 1502, 1536, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 89 PHE QD 94 PHE HB+ 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 1592, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 1505, 1513,
&end
#
# 89 PHE QD 94 PHE HB- 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 1593, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 1505, 1513,
&end
#
# 90 ILE QD1 94 PHE QD 6.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 1530, 1531, 1532,
igr2= 1596, 1604,
&end
#
# 90 ILE QD1 94 PHE QE 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 1530, 1531, 1532,
igr2= 1598, 1602,
&end
#
# 90 ILE QG2 94 PHE QD 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 1523, 1524, 1525,
igr2= 1596, 1604,
&end
#
# 90 ILE QG2 94 PHE QE 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 1523, 1524, 1525,
igr2= 1598, 1602,
&end
#
# 91 ASN HB+ 93 GLN H 3.31
&rst
ixpk= 0, nxpk= 0, iat= 1540, 1571, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 92 TYR QE 95 MET QE 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 1560, 1565,
igr2= 1619, 1620, 1621,
&end
#
# 92 TYR QE 96 SER HB+ 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 1629, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 1560, 1565,
&end
#
# 92 TYR QE 96 SER HB- 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 1630, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 1560, 1565,
&end
#
# 94 PHE QD 97 SER HB+ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 1640, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 1596, 1604,
&end
#
# 94 PHE QD 97 SER HB- 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 1641, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 1596, 1604,
&end
#
# 95 MET HB+ 99 ILE QD1 5.86
&rst
ixpk= 0, nxpk= 0, iat= 1612, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 1677, 1678, 1679,
&end
#
# 95 MET QE 99 ILE QD1 5.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 1619, 1620, 1621,
igr2= 1677, 1678, 1679,
&end
#
# 95 MET QE 107 PRO QB 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 1619, 1620, 1621,
igr2= 1796, 1797,
&end
#
# 95 MET QE 107 PRO HG+ 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 1793, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 1619, 1620, 1621,
&end
#
# 95 MET QE 107 PRO HG- 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 1794, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 1619, 1620, 1621,
&end
#
# 95 MET QG 114 TYR QD 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 1615, 1616,
igr2= 1893, 1902,
&end
#
# 95 MET QE 114 TYR QD 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 1619, 1620, 1621,
igr2= 1893, 1902,
&end
#
# 95 MET QE 114 TYR QE 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 1619, 1620, 1621,
igr2= 1895, 1900,
&end
#
# 96 SER HB+ 107 PRO HG+ 4.60
&rst
ixpk= 0, nxpk= 0, iat= 1629, 1793, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 96 SER HB+ 107 PRO HG- 4.40
&rst
ixpk= 0, nxpk= 0, iat= 1629, 1794, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 96 SER HB- 107 PRO HG+ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 1630, 1793, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 SER HA 100 LYS+ QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 1638, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 1687, 1688,
&end
#
# 97 SER HA 100 LYS+ HG- 4.89
&rst
ixpk= 0, nxpk= 0, iat= 1638, 1691, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 97 SER HA 100 LYS+ HD2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 1638, 1693, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 97 SER HA 100 LYS+ HD3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 1638, 1694, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 98 HIS HA 102 VAL QG- 5.16
&rst
ixpk= 0, nxpk= 0, iat= 1649, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 1726, 1727, 1728,
&end
#
# 98 HIS HE1 102 VAL HB 3.75
&rst
ixpk= 0, nxpk= 0, iat= 1657, 1720, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 98 HIS HE1 102 VAL QG- 3.51
&rst
ixpk= 0, nxpk= 0, iat= 1657, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 1726, 1727, 1728,
&end
#
# 98 HIS HE1 102 VAL QG+ 3.84
&rst
ixpk= 0, nxpk= 0, iat= 1657, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 1722, 1723, 1724,
&end
#
# 99 ILE HA 103 HIS HD2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 1666, 1745, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 99 ILE HG1+ 103 HIS HD2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 1674, 1745, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 99 ILE HG1- 103 HIS HD2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 1675, 1745, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 99 ILE QG2 103 HIS HA 6.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 1734, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 1670, 1671, 1672,
&end
#
# 99 ILE QG2 103 HIS HB+ 6.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 1736, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 1670, 1671, 1672,
&end
#
# 99 ILE QG2 103 HIS HD2 5.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 1745, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 1670, 1671, 1672,
&end
#
# 99 ILE QD1 103 HIS HD2 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 1745, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 1677, 1678, 1679,
&end
#
# 99 ILE QG2 105 GLN HB+ 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 1764, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 1670, 1671, 1672,
&end
#
# 99 ILE QG2 105 GLN HB- 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 1765, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 1670, 1671, 1672,
&end
#
# 99 ILE QG2 105 GLN HG+ 6.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 1767, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 1670, 1671, 1672,
&end
#
# 99 ILE QG2 105 GLN HG- 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 1768, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 1670, 1671, 1672,
&end
#
# 99 ILE QD1 107 PRO HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 1799, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 1677, 1678, 1679,
&end
#
# 99 ILE QD1 107 PRO QB 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 1677, 1678, 1679,
igr2= 1796, 1797,
&end
#
# 99 ILE QG2 107 PRO HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 1799, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 1670, 1671, 1672,
&end
#
# 99 ILE QG2 107 PRO QB 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 1670, 1671, 1672,
igr2= 1796, 1797,
&end
#
# 99 ILE QD1 114 TYR HB+ 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 1889, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 1677, 1678, 1679,
&end
#
# 99 ILE QD1 114 TYR QD 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 1677, 1678, 1679,
igr2= 1893, 1902,
&end
#
# 99 ILE QD1 114 TYR QE 6.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 1677, 1678, 1679,
igr2= 1895, 1900,
&end
#
# 103 HIS HB- 105 GLN H 4.60
&rst
ixpk= 0, nxpk= 0, iat= 1737, 1760, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 105 GLN HB+ 113 LEU QD+ 3.78
&rst
ixpk= 0, nxpk= 0, iat= 1764, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 1875, 1876, 1877,
&end
#
# 105 GLN HB+ 113 LEU QD- 4.67
&rst
ixpk= 0, nxpk= 0, iat= 1764, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 1879, 1880, 1881,
&end
#
# 105 GLN HB- 113 LEU QD+ 3.89
&rst
ixpk= 0, nxpk= 0, iat= 1765, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 1875, 1876, 1877,
&end
#
# 105 GLN HB- 113 LEU QD- 4.97
&rst
ixpk= 0, nxpk= 0, iat= 1765, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 1879, 1880, 1881,
&end
#
# 105 GLN HG+ 113 LEU QD+ 5.10
&rst
ixpk= 0, nxpk= 0, iat= 1767, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 1875, 1876, 1877,
&end
#
# 105 GLN HG- 113 LEU QD+ 5.40
&rst
ixpk= 0, nxpk= 0, iat= 1768, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 1875, 1876, 1877,
&end
#
# 105 GLN HG+ 113 LEU QD- 5.64
&rst
ixpk= 0, nxpk= 0, iat= 1767, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 1879, 1880, 1881,
&end
#
# 105 GLN HG- 113 LEU QD- 5.64
&rst
ixpk= 0, nxpk= 0, iat= 1768, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 1879, 1880, 1881,
&end
#
# 105 GLN HE2+ 113 LEU QD- 4.34
&rst
ixpk= 0, nxpk= 0, iat= 1772, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 1879, 1880, 1881,
&end
#
# 105 GLN HE2- 113 LEU QD- 4.00
&rst
ixpk= 0, nxpk= 0, iat= 1773, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 1879, 1880, 1881,
&end
#
# 114 TYR QE 116 LEU H 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 1930, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 1895, 1900,
&end
#
# 114 TYR QD 116 LEU H 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 1930, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 1893, 1902,
&end
#
# 115 ARG+ HG+ 117 HIS HE1 4.32
&rst
ixpk= 0, nxpk= 0, iat= 1913, 1959, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 115 ARG+ HD2 117 HIS HE1 5.10
&rst
ixpk= 0, nxpk= 0, iat= 1916, 1959, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 115 ARG+ HD3 117 HIS HE1 4.16
&rst
ixpk= 0, nxpk= 0, iat= 1917, 1959, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 128 ALA H 129 TYR H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2144, 2154, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 129 TYR H 130 LEU H 2.80
&rst
ixpk= 0, nxpk= 0, iat= 2154, 2175, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 130 LEU H 131 SER H 2.80
&rst
ixpk= 0, nxpk= 0, iat= 2175, 2194, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 129 TYR HA 131 SER H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 2156, 2194, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 128 ALA HA 131 SER HB+ 3.57
&rst
ixpk= 0, nxpk= 0, iat= 2146, 2198, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 128 ALA HA 131 SER HB- 3.67
&rst
ixpk= 0, nxpk= 0, iat= 2146, 2199, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 105 GLN HB+ 105 GLN HE2+ 3.70
&rst
ixpk= 0, nxpk= 0, iat= 1764, 1772, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 105 GLN HG- 105 GLN HE2+ 3.26
&rst
ixpk= 0, nxpk= 0, iat= 1768, 1772, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 105 GLN HG- 105 GLN HE2- 3.84
&rst
ixpk= 0, nxpk= 0, iat= 1768, 1773, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 106 ASP- H 106 ASP- HB+ 3.50
&rst
ixpk= 0, nxpk= 0, iat= 1777, 1781, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 ASP- H 106 ASP- HB- 3.16
&rst
ixpk= 0, nxpk= 0, iat= 1777, 1782, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 106 ASP- HA 107 PRO HD2 3.10
&rst
ixpk= 0, nxpk= 0, iat= 1779, 1790, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 106 ASP- HA 107 PRO HD3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 1779, 1791, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 106 ASP- HB+ 107 PRO HD2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 1781, 1790, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 106 ASP- HB+ 107 PRO HD3 4.75
&rst
ixpk= 0, nxpk= 0, iat= 1781, 1791, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 108 SER H 108 SER HB+ 2.90
&rst
ixpk= 0, nxpk= 0, iat= 1803, 1807, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 108 SER H 108 SER HB- 3.10
&rst
ixpk= 0, nxpk= 0, iat= 1803, 1808, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 108 SER H 109 GLY H 3.20
&rst
ixpk= 0, nxpk= 0, iat= 1803, 1814, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 108 SER HB- 109 GLY H 3.65
&rst
ixpk= 0, nxpk= 0, iat= 1808, 1814, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 110 ASP- HB+ 111 SER H 4.68
&rst
ixpk= 0, nxpk= 0, iat= 1825, 1833, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 110 ASP- HB- 111 SER H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1826, 1833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 SER H 111 SER QB 3.51
&rst
ixpk= 0, nxpk= 0, iat= 1833, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 1837, 1838,
&end
#
# 112 LYS+ H 112 LYS+ HG+ 3.80
&rst
ixpk= 0, nxpk= 0, iat= 1844, 1851, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 112 LYS+ H 112 LYS+ HG- 4.30
&rst
ixpk= 0, nxpk= 0, iat= 1844, 1852, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 119 CYS H 119 CYS HB+ 3.65
&rst
ixpk= 0, nxpk= 0, iat= 1981, 1985, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 119 CYS H 119 CYS HB- 3.59
&rst
ixpk= 0, nxpk= 0, iat= 1981, 1986, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 120 ARG+ H 120 ARG+ HB- 3.79
&rst
ixpk= 0, nxpk= 0, iat= 1992, 1997, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 120 ARG+ H 120 ARG+ HG+ 3.79
&rst
ixpk= 0, nxpk= 0, iat= 1992, 1999, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 120 ARG+ H 120 ARG+ HG- 4.77
&rst
ixpk= 0, nxpk= 0, iat= 1992, 2000, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 120 ARG+ H 120 ARG+ QD 5.33
&rst
ixpk= 0, nxpk= 0, iat= 1992, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 2002, 2003,
&end
#
# 120 ARG+ HB+ 121 SER H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 1996, 2016, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 120 ARG+ HB- 121 SER H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 1997, 2016, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 120 ARG+ HG- 121 SER H 4.70
&rst
ixpk= 0, nxpk= 0, iat= 2000, 2016, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 121 SER H 122 LEU H 3.02
&rst
ixpk= 0, nxpk= 0, iat= 2016, 2027, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 121 SER HB+ 122 LEU H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 2020, 2027, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 121 SER HB- 122 LEU H 5.18
&rst
ixpk= 0, nxpk= 0, iat= 2021, 2027, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 122 LEU H 122 LEU HB+ 3.90
&rst
ixpk= 0, nxpk= 0, iat= 2027, 2031, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 122 LEU H 122 LEU HB- 3.50
&rst
ixpk= 0, nxpk= 0, iat= 2027, 2032, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 LEU HA 123 GLN H 2.97
&rst
ixpk= 0, nxpk= 0, iat= 2029, 2046, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 122 LEU HB+ 123 GLN H 3.11
&rst
ixpk= 0, nxpk= 0, iat= 2031, 2046, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 122 LEU QD+ 123 GLN H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 2046, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 2036, 2037, 2038,
&end
#
# 123 GLN H 123 GLN HB+ 3.87
&rst
ixpk= 0, nxpk= 0, iat= 2046, 2050, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 123 GLN H 123 GLN HB- 3.26
&rst
ixpk= 0, nxpk= 0, iat= 2046, 2051, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 123 GLN H 123 GLN HG+ 3.40
&rst
ixpk= 0, nxpk= 0, iat= 2046, 2053, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 123 GLN HG- 123 GLN HE2+ 3.48
&rst
ixpk= 0, nxpk= 0, iat= 2054, 2058, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 123 GLN HA 124 ILE H 2.79
&rst
ixpk= 0, nxpk= 0, iat= 2048, 2063, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 124 ILE HB 125 ARG+ H 3.57
&rst
ixpk= 0, nxpk= 0, iat= 2067, 2082, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 125 ARG+ H 125 ARG+ HB+ 3.99
&rst
ixpk= 0, nxpk= 0, iat= 2082, 2086, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 125 ARG+ H 125 ARG+ HB- 3.16
&rst
ixpk= 0, nxpk= 0, iat= 2082, 2087, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 125 ARG+ H 125 ARG+ HG+ 3.03
&rst
ixpk= 0, nxpk= 0, iat= 2082, 2089, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 125 ARG+ H 125 ARG+ HG- 4.16
&rst
ixpk= 0, nxpk= 0, iat= 2082, 2090, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 125 ARG+ HA 126 GLN H 3.03
&rst
ixpk= 0, nxpk= 0, iat= 2084, 2106, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 125 ARG+ HB+ 126 GLN H 3.91
&rst
ixpk= 0, nxpk= 0, iat= 2086, 2106, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 125 ARG+ HB- 126 GLN H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2087, 2106, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 125 ARG+ HG+ 126 GLN H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 2089, 2106, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 125 ARG+ HG- 126 GLN H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 2090, 2106, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 126 GLN QB 126 GLN HE2+ 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 2118, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 2110, 2111,
&end
#
# 126 GLN HG- 126 GLN HE2+ 3.05
&rst
ixpk= 0, nxpk= 0, iat= 2114, 2118, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 126 GLN HG+ 126 GLN HE2+ 3.65
&rst
ixpk= 0, nxpk= 0, iat= 2113, 2118, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 126 GLN QB 126 GLN HE2- 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 2119, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 2110, 2111,
&end
#
# 126 GLN HG+ 126 GLN HE2- 3.75
&rst
ixpk= 0, nxpk= 0, iat= 2113, 2119, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 126 GLN HA 127 TYR H 3.07
&rst
ixpk= 0, nxpk= 0, iat= 2108, 2123, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 126 GLN QB 127 TYR H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 2123, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 2110, 2111,
&end
#
# 127 TYR H 127 TYR QD 4.82
&rst
ixpk= 0, nxpk= 0, iat= 2123, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 2131, 2140,
&end
#
# 127 TYR H 127 TYR QE 6.17
&rst
ixpk= 0, nxpk= 0, iat= 2123, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 2133, 2138,
&end
#
# 127 TYR HA 128 ALA H 3.07
&rst
ixpk= 0, nxpk= 0, iat= 2125, 2144, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 128 ALA H 128 ALA QB 3.09
&rst
ixpk= 0, nxpk= 0, iat= 2144, -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
igr2= 2148, 2149, 2150,
&end
#
# 128 ALA QB 129 TYR H 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 2154, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 2148, 2149, 2150,
&end
#
# 129 TYR H 129 TYR QD 4.02
&rst
ixpk= 0, nxpk= 0, iat= 2154, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 2162, 2171,
&end
#
# 129 TYR H 129 TYR QE 6.17
&rst
ixpk= 0, nxpk= 0, iat= 2154, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 2164, 2169,
&end
#
# 129 TYR QD 130 LEU QD+ 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 2162, 2171,
igr2= 2184, 2185, 2186,
&end
#
# 129 TYR QE 130 LEU QD+ 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 2164, 2169,
igr2= 2184, 2185, 2186,
&end
#
# 130 LEU H 130 LEU HB+ 3.07
&rst
ixpk= 0, nxpk= 0, iat= 2175, 2179, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 130 LEU H 130 LEU HB- 3.75
&rst
ixpk= 0, nxpk= 0, iat= 2175, 2180, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 130 LEU HA 130 LEU QD+ 3.72
&rst
ixpk= 0, nxpk= 0, iat= 2177, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 2184, 2185, 2186,
&end
#
# 130 LEU HB+ 130 LEU QD- 3.58
&rst
ixpk= 0, nxpk= 0, iat= 2179, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 2188, 2189, 2190,
&end
#
# 130 LEU HB- 130 LEU QD- 4.12
&rst
ixpk= 0, nxpk= 0, iat= 2180, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 2188, 2189, 2190,
&end
#
# 131 SER H 131 SER HB+ 3.35
&rst
ixpk= 0, nxpk= 0, iat= 2194, 2198, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 131 SER HA 131 SER HB+ 3.15
&rst
ixpk= 0, nxpk= 0, iat= 2196, 2198, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 131 SER H 132 ASP- H 3.35
&rst
ixpk= 0, nxpk= 0, iat= 2194, 2205, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 132 ASP- H 132 ASP- HB+ 3.25
&rst
ixpk= 0, nxpk= 0, iat= 2205, 2209, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 132 ASP- H 132 ASP- HB- 3.28
&rst
ixpk= 0, nxpk= 0, iat= 2205, 2210, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 132 ASP- HA 133 ARG+ H 3.03
&rst
ixpk= 0, nxpk= 0, iat= 2207, 2217, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 132 ASP- HB+ 133 ARG+ H 4.24
&rst
ixpk= 0, nxpk= 0, iat= 2209, 2217, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 132 ASP- HB- 133 ARG+ H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 2210, 2217, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 133 ARG+ H 133 ARG+ HB+ 3.95
&rst
ixpk= 0, nxpk= 0, iat= 2217, 2221, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 133 ARG+ H 133 ARG+ HB- 3.29
&rst
ixpk= 0, nxpk= 0, iat= 2217, 2222, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 133 ARG+ HA 134 SER H 3.13
&rst
ixpk= 0, nxpk= 0, iat= 2219, 2241, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 133 ARG+ HB+ 134 SER H 4.40
&rst
ixpk= 0, nxpk= 0, iat= 2221, 2241, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 133 ARG+ HB- 134 SER H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 2222, 2241, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 134 SER H 134 SER QB 4.02
&rst
ixpk= 0, nxpk= 0, iat= 2241, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 2245, 2246,
&end
#
# 106 ASP- HA 108 SER H 4.29
&rst
ixpk= 0, nxpk= 0, iat= 1779, 1803, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 106 ASP- HB+ 108 SER H 4.77
&rst
ixpk= 0, nxpk= 0, iat= 1781, 1803, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 106 ASP- HB- 108 SER H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 1782, 1803, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 107 PRO HA 113 LEU QD+ 3.30
&rst
ixpk= 0, nxpk= 0, iat= 1799, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 1875, 1876, 1877,
&end
#
# 107 PRO QB 114 TYR QD 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 1796, 1797,
igr2= 1893, 1902,
&end
#
# 107 PRO QB 114 TYR QE 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 1796, 1797,
igr2= 1895, 1900,
&end
#
# 109 GLY QA 111 SER H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 1833, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 1816, 1817,
&end
#
# 111 SER QB 113 LEU HG 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 1873, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1= 1837, 1838,
&end
#
# 111 SER QB 113 LEU QD- 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 1837, 1838,
igr2= 1879, 1880, 1881,
&end
#
# 111 SER QB 113 LEU QD+ 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 1837, 1838,
igr2= 1875, 1876, 1877,
&end
#
# 118 PRO HA 130 LEU QD+ 4.06
&rst
ixpk= 0, nxpk= 0, iat= 1977, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 2184, 2185, 2186,
&end
#
# 118 PRO HA 130 LEU QD- 6.08
&rst
ixpk= 0, nxpk= 0, iat= 1977, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 2188, 2189, 2190,
&end
#
# 118 PRO HB- 131 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 1975, 2196, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 PRO HG+ 131 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 1971, 2196, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 118 PRO HG- 131 SER HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= 1972, 2196, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 119 CYS HB+ 124 ILE QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 1985, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 2076, 2077, 2078,
&end
#
# 119 CYS HB- 124 ILE QD1 3.48
&rst
ixpk= 0, nxpk= 0, iat= 1986, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 2076, 2077, 2078,
&end
#
# 119 CYS HB- 126 GLN HE2- 3.75
&rst
ixpk= 0, nxpk= 0, iat= 1986, 2119, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 120 ARG+ H 122 LEU H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 1992, 2027, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 120 ARG+ HA 122 LEU H 4.25
&rst
ixpk= 0, nxpk= 0, iat= 1994, 2027, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 122 LEU QD+ 124 ILE QG2 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1= 2036, 2037, 2038,
igr2= 2069, 2070, 2071,
&end
#
# 124 ILE HG1+ 126 GLN HE2+ 4.41
&rst
ixpk= 0, nxpk= 0, iat= 2073, 2118, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 124 ILE HG1- 126 GLN HE2+ 4.65
&rst
ixpk= 0, nxpk= 0, iat= 2074, 2118, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 124 ILE QG2 126 GLN HE2+ 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 2118, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 2069, 2070, 2071,
&end
#
# 124 ILE QD1 126 GLN HE2+ 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 2118, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 2076, 2077, 2078,
&end
#
# 124 ILE HG1+ 126 GLN HE2- 4.30
&rst
ixpk= 0, nxpk= 0, iat= 2073, 2119, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 124 ILE HG1- 126 GLN HE2- 4.68
&rst
ixpk= 0, nxpk= 0, iat= 2074, 2119, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 124 ILE QG2 126 GLN HE2- 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 2119, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 2069, 2070, 2071,
&end
#
# 124 ILE QD1 126 GLN HE2- 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 2119, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 2076, 2077, 2078,
&end
#
# 124 ILE HG1- 126 GLN HG+ 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2074, 2113, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 124 ILE HG1- 126 GLN HG- 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2074, 2114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 ARG+ HE 127 TYR QE 4.55
&rst
ixpk= 0, nxpk= 0, iat= 2095, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 2133, 2138,
&end
#
# 127 TYR HB- 129 TYR QD 4.21
&rst
ixpk= 0, nxpk= 0, iat= 2128, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 2162, 2171,
&end
#
# 127 TYR HB+ 129 TYR QD 3.48
&rst
ixpk= 0, nxpk= 0, iat= 2127, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 2162, 2171,
&end
#
# 127 TYR HB+ 129 TYR QE 3.73
&rst
ixpk= 0, nxpk= 0, iat= 2127, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 2164, 2169,
&end
#
# 127 TYR QD 129 TYR QD 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 2131, 2140,
igr2= 2162, 2171,
&end
#
# 127 TYR QD 129 TYR QE 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 2131, 2140,
igr2= 2164, 2169,
&end
#
# 127 TYR H 130 LEU QD- 4.68
&rst
ixpk= 0, nxpk= 0, iat= 2123, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 2188, 2189, 2190,
&end
#
# 127 TYR HB+ 130 LEU QD- 5.76
&rst
ixpk= 0, nxpk= 0, iat= 2127, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 2188, 2189, 2190,
&end
#
# 127 TYR HB- 130 LEU QD+ 6.00
&rst
ixpk= 0, nxpk= 0, iat= 2128, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 2184, 2185, 2186,
&end
#
# 127 TYR HB- 130 LEU QD- 4.38
&rst
ixpk= 0, nxpk= 0, iat= 2128, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 2188, 2189, 2190,
&end
#
# 127 TYR QD 130 LEU QD- 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 2131, 2140,
igr2= 2188, 2189, 2190,
&end
#
# 127 TYR QE 130 LEU QD- 6.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 2133, 2138,
igr2= 2188, 2189, 2190,
&end
#
# 128 ALA QB 131 SER H 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 2194, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 2148, 2149, 2150,
&end
#
# 128 ALA QB 131 SER HB+ 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 2198, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 2148, 2149, 2150,
&end
#
# 128 ALA QB 131 SER HB- 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 2199, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 2148, 2149, 2150,
&end
#
# 138 GUA H1' 139 THY Q7 5.10
&rst
ixpk= 0, nxpk= 0, iat= 2263, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 2302, 2303, 2304,
&end
#
# 138 GUA H1' 139 THY H6 3.75
&rst
ixpk= 0, nxpk= 0, iat= 2263, 2299, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 138 GUA H2'' 139 THY Q7 3.60
&rst
ixpk= 0, nxpk= 0, iat= 2283, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 2302, 2303, 2304,
&end
#
# 138 GUA H2'' 139 THY H6 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2283, 2299, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 138 GUA H8 139 THY Q7 4.20
&rst
ixpk= 0, nxpk= 0, iat= 2266, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 2302, 2303, 2304,
&end
#
# 138 GUA H8 138 GUA H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2266, 2280, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 138 GUA H8 139 THY H6 5.50
&rst
ixpk= 0, nxpk= 0, iat= 2266, 2299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 139 THY H1' 140 GUA H8 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2296, 2331, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 139 THY H2' 140 GUA H8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2314, 2331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 139 THY H6 140 GUA H8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2299, 2331, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 139 THY H6 138 GUA H3' 5.25
&rst
ixpk= 0, nxpk= 0, iat= 2299, 2280, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 139 THY H6 139 THY H3' 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2299, 2312, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 139 THY Q7 138 GUA H3' 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 2280, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 2302, 2303, 2304,
&end
#
# 139 THY H3 174 ADE H2 2.75
&rst
ixpk= 0, nxpk= 0, iat= 2308, 3418, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 140 GUA H1' 141 CYT H5 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2328, 2366, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 140 GUA H1' 141 CYT H6 3.50
&rst
ixpk= 0, nxpk= 0, iat= 2328, 2364, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 140 GUA H2'' 141 CYT H6 3.75
&rst
ixpk= 0, nxpk= 0, iat= 2348, 2364, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 140 GUA H8 141 CYT H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2331, 2366, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 140 GUA H8 141 CYT H6 5.25
&rst
ixpk= 0, nxpk= 0, iat= 2331, 2364, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 140 GUA H8 139 THY H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2331, 2312, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 140 GUA H8 140 GUA H3' 4.75
&rst
ixpk= 0, nxpk= 0, iat= 2331, 2345, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 140 GUA H1 173 CYT H41 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2337, 3384, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 140 GUA H1 173 CYT H42 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2337, 3385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 140 GUA H1 173 CYT H5 5.25
&rst
ixpk= 0, nxpk= 0, iat= 2337, 3381, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 140 GUA H1 173 CYT H1' 5.25
&rst
ixpk= 0, nxpk= 0, iat= 2337, 3376, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 141 CYT H1' 142 THY H6 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2361, 2394, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 141 CYT H1' 142 THY Q7 5.40
&rst
ixpk= 0, nxpk= 0, iat= 2361, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 2397, 2398, 2399,
&end
#
# 141 CYT H6 142 THY Q7 4.32
&rst
ixpk= 0, nxpk= 0, iat= 2364, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 2397, 2398, 2399,
&end
#
# 141 CYT H6 140 GUA H3' 4.75
&rst
ixpk= 0, nxpk= 0, iat= 2364, 2345, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 141 CYT H6 141 CYT H3' 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2364, 2375, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 141 CYT H41 172 GUA H1 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2369, 3352, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 141 CYT H42 172 GUA H1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2370, 3352, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 142 THY H1' 143 THY Q7 5.10
&rst
ixpk= 0, nxpk= 0, iat= 2391, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 2429, 2430, 2431,
&end
#
# 142 THY H1' 143 THY H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2391, 2426, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 142 THY H6 143 THY Q7 5.10
&rst
ixpk= 0, nxpk= 0, iat= 2394, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 2429, 2430, 2431,
&end
#
# 142 THY H6 142 THY H3' 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2394, 2407, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 142 THY Q7 141 CYT H5 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 2366, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 2397, 2398, 2399,
&end
#
# 142 THY Q7 141 CYT H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 2375, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 2397, 2398, 2399,
&end
#
# 142 THY H3 171 ADE H2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2403, 3323, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 142 THY H3 170 ADE H2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 2403, 3291, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 142 THY H3 172 GUA H1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 2403, 3352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 143 THY H1' 144 CYT H6 3.50
&rst
ixpk= 0, nxpk= 0, iat= 2423, 2458, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 143 THY H6 142 THY H3' 5.25
&rst
ixpk= 0, nxpk= 0, iat= 2426, 2407, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 143 THY H6 143 THY H3' 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2426, 2439, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 143 THY Q7 142 THY Q7 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 2429, 2430, 2431,
igr2= 2397, 2398, 2399,
&end
#
# 143 THY Q7 142 THY H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 2407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 2429, 2430, 2431,
&end
#
# 143 THY H3 171 ADE H2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 2435, 3323, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 143 THY H3 170 ADE H2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 2435, 3291, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 143 THY H3 142 THY H3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 2435, 2403, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 143 THY H3 169 GUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2435, 3255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 CYT H1' 145 CYT H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2455, 2488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 144 CYT H6 144 CYT H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2458, 2469, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 144 CYT H6 145 CYT H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2458, 2488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 144 CYT H41 169 GUA H1 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2463, 3255, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 145 CYT H1' 146 THY H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2485, 2518, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 145 CYT H2' 146 THY H6 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2501, 2518, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 145 CYT H6 146 THY Q7 4.20
&rst
ixpk= 0, nxpk= 0, iat= 2488, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 2521, 2522, 2523,
&end
#
# 145 CYT H6 144 CYT H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2488, 2469, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 145 CYT H6 145 CYT H3' 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2488, 2499, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 145 CYT H41 168 GUA H1 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2493, 3222, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 145 CYT H42 144 CYT H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 2494, 2455, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 145 CYT H42 144 CYT H2'' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 2494, 2472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 CYT H42 144 CYT H2' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 2494, 2471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 145 CYT H42 146 THY Q7 6.00
&rst
ixpk= 0, nxpk= 0, iat= 2494, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 2521, 2522, 2523,
&end
#
# 146 THY H1' 147 GUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2515, 2550, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 146 THY H6 145 CYT H6 5.25
&rst
ixpk= 0, nxpk= 0, iat= 2518, 2488, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 146 THY H6 147 GUA H8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 2518, 2550, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 146 THY Q7 145 CYT H3' 7.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 2499, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 2521, 2522, 2523,
&end
#
# 146 THY Q7 145 CYT H5 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 2490, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 2521, 2522, 2523,
&end
#
# 146 THY H3 167 ADE H2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 2527, 3193, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 147 GUA H8 148 CYT H6 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2550, 2583, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 147 GUA H1' 148 CYT H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2547, 2583, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 147 GUA H8 147 GUA H3' 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2550, 2564, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 147 GUA H1 167 ADE H2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2556, 3193, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 147 GUA H1 166 CYT H41 3.50
&rst
ixpk= 0, nxpk= 0, iat= 2556, 3159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 147 GUA H1 166 CYT H42 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2556, 3160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 147 GUA H1 146 THY H3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2556, 2527, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 147 GUA H1 165 GUA H1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2556, 3127, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 148 CYT H6 149 CYT H5 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2583, 2615, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 148 CYT H6 147 GUA H2' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2583, 2566, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 148 CYT H6 147 GUA H3' 5.25
&rst
ixpk= 0, nxpk= 0, iat= 2583, 2564, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 148 CYT H6 148 CYT H3' 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2583, 2594, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 148 CYT H41 165 GUA H1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 2588, 3127, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 148 CYT H42 165 GUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2589, 3127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 149 CYT H2'' 150 ADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2627, 2643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 149 CYT H2' 150 ADE H8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 2626, 2643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 149 CYT H6 148 CYT H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2613, 2594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 149 CYT H6 149 CYT H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2613, 2624, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 149 CYT H41 164 GUA H1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 2618, 3094, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 149 CYT H42 164 GUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2619, 3094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 150 ADE H1' 151 ADE H8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 2640, 2675, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 150 ADE H2 151 ADE H2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2652, 2684, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 150 ADE H8 150 ADE H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2643, 2656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 150 ADE H8 149 CYT H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2643, 2624, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 150 ADE H2 162 THY H3 5.25
&rst
ixpk= 0, nxpk= 0, iat= 2652, 3033, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 150 ADE H2 163 THY H3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 2652, 3065, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 150 ADE H2 164 GUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2652, 3094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 151 ADE H1' 152 THY Q7 5.10
&rst
ixpk= 0, nxpk= 0, iat= 2672, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 2710, 2711, 2712,
&end
#
# 151 ADE H1' 152 THY H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2672, 2707, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 151 ADE H2'' 152 THY Q7 5.40
&rst
ixpk= 0, nxpk= 0, iat= 2691, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 2710, 2711, 2712,
&end
#
# 151 ADE H2'' 152 THY H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2691, 2707, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 151 ADE H8 152 THY Q7 5.10
&rst
ixpk= 0, nxpk= 0, iat= 2675, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 2710, 2711, 2712,
&end
#
# 151 ADE H8 152 THY H6 5.10
&rst
ixpk= 0, nxpk= 0, iat= 2675, 2707, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 151 ADE H8 150 ADE H2' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 2675, 2658, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 151 ADE H8 150 ADE H2'' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2675, 2659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 151 ADE H8 151 ADE H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2675, 2688, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 151 ADE H8 150 ADE H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2675, 2656, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 151 ADE H2 152 THY H3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2684, 2716, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 151 ADE H2 162 THY H3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 2684, 3033, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 151 ADE H2 163 THY H3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2684, 3065, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 152 THY H1' 153 ADE H8 3.75
&rst
ixpk= 0, nxpk= 0, iat= 2704, 2739, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 152 THY H2'' 153 ADE H8 3.75
&rst
ixpk= 0, nxpk= 0, iat= 2723, 2739, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 152 THY H2' 153 ADE H8 3.30
&rst
ixpk= 0, nxpk= 0, iat= 2722, 2739, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 152 THY H6 153 ADE H8 5.10
&rst
ixpk= 0, nxpk= 0, iat= 2707, 2739, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 152 THY H6 152 THY H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2707, 2720, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 152 THY H6 151 ADE H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 2707, 2688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 152 THY Q7 151 ADE H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 2688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 2710, 2711, 2712,
&end
#
# 152 THY H3 162 THY H3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2716, 3033, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 152 THY H3 161 ADE H2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 2716, 3001, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 152 THY H3 153 ADE H2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 2716, 2748, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 152 THY H3 151 ADE H2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2716, 2684, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 153 ADE H1' 154 ADE H8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 2736, 2771, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 153 ADE H2'' 154 ADE H8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 2755, 2771, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 153 ADE H2 154 ADE H2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2748, 2780, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 153 ADE H8 154 ADE H8 4.85
&rst
ixpk= 0, nxpk= 0, iat= 2739, 2771, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 153 ADE H8 153 ADE H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2739, 2752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 153 ADE H8 152 THY H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2739, 2720, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 153 ADE H2 160 THY H3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 2748, 2969, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 153 ADE H2 159 THY H3 5.25
&rst
ixpk= 0, nxpk= 0, iat= 2748, 2937, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 154 ADE H1' 155 CYT H6 3.75
&rst
ixpk= 0, nxpk= 0, iat= 2768, 2803, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 154 ADE H8 155 CYT H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2771, 2805, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 154 ADE H8 154 ADE H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2771, 2784, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 154 ADE H8 155 CYT H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2771, 2803, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 154 ADE H8 153 ADE H2' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 2771, 2754, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 154 ADE H2 160 THY H3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2780, 2969, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 154 ADE H2 158 GUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2780, 2901, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 154 ADE H2 159 THY H3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 2780, 2937, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 155 CYT H1' 156 GUA H8 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2800, 2833, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 155 CYT H2'' 156 GUA H8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 2817, 2833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 155 CYT H2' 156 GUA H8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 2816, 2833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 155 CYT H6 154 ADE H2' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 2803, 2786, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 155 CYT H6 156 GUA H8 5.25
&rst
ixpk= 0, nxpk= 0, iat= 2803, 2833, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 155 CYT H6 154 ADE H2'' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2803, 2787, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 155 CYT H6 155 CYT H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2803, 2814, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 155 CYT H6 154 ADE H3' 4.75
&rst
ixpk= 0, nxpk= 0, iat= 2803, 2784, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 155 CYT H42 158 GUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2809, 2901, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 156 GUA H8 156 GUA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2833, 2847, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 156 GUA H8 155 CYT H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2833, 2814, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 157 CYT H1' 158 GUA H8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2862, 2895, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 157 CYT H2' 158 GUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2878, 2895, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 157 CYT H6 157 CYT H3' 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2865, 2876, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 157 CYT H6 158 GUA H8 5.25
&rst
ixpk= 0, nxpk= 0, iat= 2865, 2895, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 158 GUA H1' 159 THY Q7 5.10
&rst
ixpk= 0, nxpk= 0, iat= 2892, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 2931, 2932, 2933,
&end
#
# 158 GUA H1' 159 THY H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2892, 2928, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 158 GUA H2'' 159 THY Q7 3.60
&rst
ixpk= 0, nxpk= 0, iat= 2912, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 2931, 2932, 2933,
&end
#
# 158 GUA H2'' 159 THY H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2912, 2928, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 158 GUA H8 159 THY Q7 4.20
&rst
ixpk= 0, nxpk= 0, iat= 2895, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 2931, 2932, 2933,
&end
#
# 158 GUA H8 157 CYT H2' 2.70
&rst
ixpk= 0, nxpk= 0, iat= 2895, 2878, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 158 GUA H8 157 CYT H4' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 2895, 2859, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 158 GUA H8 158 GUA H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2895, 2909, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 158 GUA H8 157 CYT H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2895, 2876, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 158 GUA H8 159 THY H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2895, 2928, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 158 GUA H1 155 CYT H41 3.50
&rst
ixpk= 0, nxpk= 0, iat= 2901, 2808, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 158 GUA H1 159 THY H3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2901, 2937, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 158 GUA H1 155 CYT H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2901, 2805, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 159 THY H1' 160 THY Q7 5.10
&rst
ixpk= 0, nxpk= 0, iat= 2925, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 2963, 2964, 2965,
&end
#
# 159 THY H1' 160 THY H6 3.75
&rst
ixpk= 0, nxpk= 0, iat= 2925, 2960, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 159 THY H6 160 THY Q7 4.20
&rst
ixpk= 0, nxpk= 0, iat= 2928, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 2963, 2964, 2965,
&end
#
# 159 THY H6 158 GUA H3' 5.25
&rst
ixpk= 0, nxpk= 0, iat= 2928, 2909, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 159 THY H6 158 GUA H2' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2928, 2911, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 159 THY Q7 159 THY H3' 7.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 2941, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 2931, 2932, 2933,
&end
#
# 159 THY Q7 158 GUA H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 2909, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 2931, 2932, 2933,
&end
#
# 159 THY H3 160 THY H3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2937, 2969, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 160 THY H1' 161 ADE H8 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2957, 2992, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 160 THY H2' 161 ADE H8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 2975, 2992, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 160 THY H6 159 THY H2' 2.70
&rst
ixpk= 0, nxpk= 0, iat= 2960, 2943, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 160 THY H6 161 ADE H8 5.25
&rst
ixpk= 0, nxpk= 0, iat= 2960, 2992, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 160 THY H6 160 THY H3' 4.25
&rst
ixpk= 0, nxpk= 0, iat= 2960, 2973, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 160 THY H6 159 THY H3' 4.75
&rst
ixpk= 0, nxpk= 0, iat= 2960, 2941, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 160 THY Q7 159 THY Q7 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 2963, 2964, 2965,
igr2= 2931, 2932, 2933,
&end
#
# 160 THY Q7 159 THY H3' 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 2941, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 2963, 2964, 2965,
&end
#
# 160 THY Q7 160 THY H3' 7.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 2973, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 2963, 2964, 2965,
&end
#
# 160 THY H3 152 THY H3 5.25
&rst
ixpk= 0, nxpk= 0, iat= 2969, 2716, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 160 THY H3 161 ADE H2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 2969, 3001, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 161 ADE H1' 162 THY Q7 5.10
&rst
ixpk= 0, nxpk= 0, iat= 2989, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 3027, 3028, 3029,
&end
#
# 161 ADE H1' 162 THY H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2989, 3024, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 161 ADE H2'' 162 THY Q7 6.00
&rst
ixpk= 0, nxpk= 0, iat= 3008, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 3027, 3028, 3029,
&end
#
# 161 ADE H8 162 THY Q7 4.20
&rst
ixpk= 0, nxpk= 0, iat= 2992, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 3027, 3028, 3029,
&end
#
# 161 ADE H8 161 ADE H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 2992, 3005, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 161 ADE H8 160 THY H2' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 2992, 2975, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 161 ADE H8 162 THY H6 5.50
&rst
ixpk= 0, nxpk= 0, iat= 2992, 3024, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 161 ADE H8 160 THY H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 2992, 2973, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 161 ADE H2 162 THY H3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 3001, 3033, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 162 THY H1' 163 THY H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= 3021, 3056, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 162 THY H1' 163 THY Q7 5.10
&rst
ixpk= 0, nxpk= 0, iat= 3021, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 3059, 3060, 3061,
&end
#
# 162 THY H2'' 163 THY H6 6.00
&rst
ixpk= 0, nxpk= 0, iat= 3040, 3056, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 162 THY H6 163 THY Q7 5.40
&rst
ixpk= 0, nxpk= 0, iat= 3024, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 3059, 3060, 3061,
&end
#
# 162 THY H6 161 ADE H2'' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 3024, 3008, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 162 THY H6 161 ADE H3' 5.25
&rst
ixpk= 0, nxpk= 0, iat= 3024, 3005, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 162 THY H6 162 THY H3' 4.25
&rst
ixpk= 0, nxpk= 0, iat= 3024, 3037, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 162 THY Q7 161 ADE H3' 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 3005, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 3027, 3028, 3029,
&end
#
# 162 THY Q7 162 THY H3' 7.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 3037, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 3027, 3028, 3029,
&end
#
# 162 THY H3 163 THY H3 3.50
&rst
ixpk= 0, nxpk= 0, iat= 3033, 3065, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 163 THY H1' 164 GUA H8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 3053, 3088, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 163 THY H2'' 164 GUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 3072, 3088, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 163 THY H2' 164 GUA H8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 3071, 3088, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 163 THY H6 163 THY H3' 4.25
&rst
ixpk= 0, nxpk= 0, iat= 3056, 3069, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 163 THY H6 162 THY H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 3056, 3037, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 163 THY H6 162 THY H2'' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 3056, 3040, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 163 THY Q7 162 THY Q7 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 3059, 3060, 3061,
igr2= 3027, 3028, 3029,
&end
#
# 163 THY Q7 162 THY H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 3037, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 3059, 3060, 3061,
&end
#
# 163 THY Q7 163 THY H3' 7.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 3069, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 3059, 3060, 3061,
&end
#
# 163 THY H3 164 GUA H1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 3065, 3094, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 163 THY H3 149 CYT H42 6.00
&rst
ixpk= 0, nxpk= 0, iat= 3065, 2619, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 164 GUA H1' 165 GUA H8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 3085, 3121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 164 GUA H8 163 THY H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 3088, 3069, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 164 GUA H8 165 GUA H8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 3088, 3121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 164 GUA H8 164 GUA H3' 4.75
&rst
ixpk= 0, nxpk= 0, iat= 3088, 3102, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 164 GUA H8 163 THY H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= 3088, 3056, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 164 GUA H1 150 ADE H2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 3094, 2652, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 164 GUA H1 165 GUA H1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 3094, 3127, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 164 GUA H1 149 CYT H5 5.25
&rst
ixpk= 0, nxpk= 0, iat= 3094, 2615, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 164 GUA H1 148 CYT H41 4.00
&rst
ixpk= 0, nxpk= 0, iat= 3094, 2588, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 164 GUA H1 148 CYT H42 4.50
&rst
ixpk= 0, nxpk= 0, iat= 3094, 2589, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 165 GUA H1' 166 CYT H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= 3118, 3154, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 165 GUA H8 166 CYT H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= 3121, 3156, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 165 GUA H8 164 GUA H3' 4.75
&rst
ixpk= 0, nxpk= 0, iat= 3121, 3102, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 165 GUA H8 165 GUA H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 3121, 3135, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 165 GUA H1 148 CYT H5 6.00
&rst
ixpk= 0, nxpk= 0, iat= 3127, 2585, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 166 CYT H1' 167 ADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 3151, 3184, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 167 ADE H1' 168 GUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 3181, 3216, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 167 ADE H8 166 CYT H3' 4.75
&rst
ixpk= 0, nxpk= 0, iat= 3184, 3165, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 167 ADE H8 166 CYT H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 3184, 3167, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 167 ADE H2 168 GUA H1 4.25
&rst
ixpk= 0, nxpk= 0, iat= 3193, 3222, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 168 GUA H1' 169 GUA H8 3.30
&rst
ixpk= 0, nxpk= 0, iat= 3213, 3249, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 168 GUA H1 146 THY H3 3.75
&rst
ixpk= 0, nxpk= 0, iat= 3222, 2527, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 168 GUA H1 169 GUA H1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 3222, 3255, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 168 GUA H1 145 CYT H5 5.25
&rst
ixpk= 0, nxpk= 0, iat= 3222, 2490, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 169 GUA H8 168 GUA H3' 4.75
&rst
ixpk= 0, nxpk= 0, iat= 3249, 3230, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 169 GUA H1 170 ADE H2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 3255, 3291, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 169 GUA H1 144 CYT H42 4.75
&rst
ixpk= 0, nxpk= 0, iat= 3255, 2464, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 169 GUA H1 144 CYT H5 6.00
&rst
ixpk= 0, nxpk= 0, iat= 3255, 2460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 169 GUA H1 144 CYT H1' 5.25
&rst
ixpk= 0, nxpk= 0, iat= 3255, 2455, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 170 ADE H1' 171 ADE H8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 3279, 3314, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 170 ADE H2'' 171 ADE H8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 3298, 3314, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 170 ADE H2 171 ADE H2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 3291, 3323, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 170 ADE H8 170 ADE H3' 4.25
&rst
ixpk= 0, nxpk= 0, iat= 3282, 3295, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 170 ADE H8 169 GUA H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 3282, 3263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 170 ADE H8 169 GUA H2'' 3.75
&rst
ixpk= 0, nxpk= 0, iat= 3282, 3266, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 171 ADE H1' 172 GUA H8 3.75
&rst
ixpk= 0, nxpk= 0, iat= 3311, 3346, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 171 ADE H8 170 ADE H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 3314, 3297, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 171 ADE H8 171 ADE H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 3314, 3327, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 171 ADE H8 172 GUA H8 4.75
&rst
ixpk= 0, nxpk= 0, iat= 3314, 3346, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 171 ADE H8 170 ADE H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 3314, 3295, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 171 ADE H2 172 GUA H1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 3323, 3352, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 172 GUA H1' 173 CYT H5 4.75
&rst
ixpk= 0, nxpk= 0, iat= 3343, 3381, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 172 GUA H1' 173 CYT H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= 3343, 3379, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 172 GUA H8 171 ADE H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 3346, 3327, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 172 GUA H8 171 ADE H2' 2.70
&rst
ixpk= 0, nxpk= 0, iat= 3346, 3329, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 172 GUA H8 171 ADE H2'' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 3346, 3330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 172 GUA H8 172 GUA H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 3346, 3360, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 172 GUA H8 173 CYT H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= 3346, 3381, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 172 GUA H1 141 CYT H5 5.25
&rst
ixpk= 0, nxpk= 0, iat= 3352, 2366, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 172 GUA H1 141 CYT H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 3352, 2361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 172 GUA H1 142 THY H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 3352, 2391, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 173 CYT H1' 174 ADE H8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 3376, 3409, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 173 CYT H2'' 174 ADE H8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 3393, 3409, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 173 CYT H2' 174 ADE H8 3.00
&rst
ixpk= 0, nxpk= 0, iat= 3392, 3409, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 173 CYT H6 174 ADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 3379, 3409, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 173 CYT H6 172 GUA H2'' 4.25
&rst
ixpk= 0, nxpk= 0, iat= 3379, 3363, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 173 CYT H6 173 CYT H3' 4.25
&rst
ixpk= 0, nxpk= 0, iat= 3379, 3390, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 173 CYT H6 172 GUA H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 3379, 3362, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 173 CYT H6 172 GUA H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 3379, 3360, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 174 ADE H1' 175 CYT H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= 3406, 3443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 174 ADE H1' 175 CYT H6 3.75
&rst
ixpk= 0, nxpk= 0, iat= 3406, 3441, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 174 ADE H2'' 175 CYT H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= 3425, 3443, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 174 ADE H2'' 175 CYT H6 3.50
&rst
ixpk= 0, nxpk= 0, iat= 3425, 3441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 174 ADE H2' 175 CYT H6 3.00
&rst
ixpk= 0, nxpk= 0, iat= 3424, 3441, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 174 ADE H8 175 CYT H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= 3409, 3443, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 174 ADE H8 173 CYT H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 3409, 3390, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 174 ADE H8 175 CYT H6 4.75
&rst
ixpk= 0, nxpk= 0, iat= 3409, 3441, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 174 ADE H8 174 ADE H3' 4.25
&rst
ixpk= 0, nxpk= 0, iat= 3409, 3422, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 175 CYT H6 175 CYT H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 3441, 3452, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 175 CYT H6 174 ADE H3' 5.25
&rst
ixpk= 0, nxpk= 0, iat= 3441, 3422, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 5 ARG+ HA 154 ADE H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 67, 2784, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 ARG+ HA 154 ADE H5' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 67, 2762, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 ARG+ HA 154 ADE H5'' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 67, 2763, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 ARG+ HG- 154 ADE H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 73, 2765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ARG+ HG- 154 ADE H5' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 73, 2762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ARG+ HG- 154 ADE H5'' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 73, 2763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ARG+ HG- 154 ADE H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 73, 2768, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 ARG+ QD 154 ADE H3' 6.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 2784, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 75, 76,
&end
#
# 5 ARG+ QD 154 ADE H4' 6.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 2765, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 75, 76,
&end
#
# 5 ARG+ QD 154 ADE H5' 6.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 2762, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 75, 76,
&end
#
# 5 ARG+ QD 154 ADE H5'' 6.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 2763, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 75, 76,
&end
#
# 7 LYS+ HA 160 THY H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 108, 2957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 LYS+ HA 161 ADE H5' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 108, 2983, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 LYS+ HA 161 ADE H5'' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 108, 2984, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 LYS+ HB+ 161 ADE H5'' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 110, 2984, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 LYS+ QD 154 ADE H3' 6.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 2784, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 116, 117,
&end
#
# 7 LYS+ QD 154 ADE H5'' 6.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 2763, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 116, 117,
&end
#
# 7 LYS+ QD 154 ADE H5' 6.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 2762, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 116, 117,
&end
#
# 7 LYS+ QE 154 ADE H1' 6.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 2768, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 119, 120,
&end
#
# 7 LYS+ QE 154 ADE H3' 6.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 2784, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 119, 120,
&end
#
# 7 LYS+ QE 154 ADE H5'' 6.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 2763, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 119, 120,
&end
#
# 7 LYS+ QE 154 ADE H5' 6.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 2762, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 119, 120,
&end
#
# 34 VAL HB 147 GUA H3' 3.25
&rst
ixpk= 0, nxpk= 0, iat= 573, 2564, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 34 VAL HB 147 GUA H4' 4.75
&rst
ixpk= 0, nxpk= 0, iat= 573, 2544, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 34 VAL HB 147 GUA H5' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 573, 2541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 34 VAL HB 147 GUA H2'' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 573, 2567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 VAL QG+ 147 GUA H8 6.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 2550, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 575, 576, 577,
&end
#
# 34 VAL QG+ 147 GUA H3' 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 2564, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 575, 576, 577,
&end
#
# 34 VAL QG+ 147 GUA H4' 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 2544, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 575, 576, 577,
&end
#
# 34 VAL QG+ 147 GUA H5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 2541, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 575, 576, 577,
&end
#
# 34 VAL QG+ 147 GUA H2'' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 2567, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 575, 576, 577,
&end
#
# 34 VAL QG- 147 GUA H8 6.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 2550, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 579, 580, 581,
&end
#
# 34 VAL QG- 147 GUA H3' 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 2564, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 579, 580, 581,
&end
#
# 34 VAL QG- 147 GUA H4' 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 2544, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 579, 580, 581,
&end
#
# 34 VAL QG- 147 GUA H5' 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 2541, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 579, 580, 581,
&end
#
# 34 VAL QG- 147 GUA H5'' 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 2542, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 579, 580, 581,
&end
#
# 34 VAL QG- 147 GUA H2'' 6.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 2567, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 579, 580, 581,
&end
#
# 37 THR HA 163 THY Q7 5.40
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 3059, 3060, 3061,
&end
#
# 37 THR HA 162 THY Q7 7.21
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 3027, 3028, 3029,
&end
#
# 37 THR HB 163 THY Q7 3.96
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 3059, 3060, 3061,
&end
#
# 37 THR HB 162 THY Q7 6.30
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 3027, 3028, 3029,
&end
#
# 37 THR QG2 162 THY H6 6.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 3024, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 621, 622, 623,
&end
#
# 37 THR QG2 163 THY H6 6.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 3056, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 621, 622, 623,
&end
#
# 37 THR QG2 163 THY Q7 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 621, 622, 623,
igr2= 3059, 3060, 3061,
&end
#
# 37 THR QG2 162 THY Q7 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 621, 622, 623,
igr2= 3027, 3028, 3029,
&end
#
# 63 LEU HG 146 THY Q7 6.00
&rst
ixpk= 0, nxpk= 0, iat= 1082, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 2521, 2522, 2523,
&end
#
# 63 LEU QD- 146 THY Q7 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 1088, 1089, 1090,
igr2= 2521, 2522, 2523,
&end
#
# 63 LEU QD+ 146 THY Q7 6.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 1084, 1085, 1086,
igr2= 2521, 2522, 2523,
&end
#
# 64 ALA QB 164 GUA H8 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 3088, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 1098, 1099, 1100,
&end
#
# 64 ALA QB 164 GUA H1' 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 3085, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 1098, 1099, 1100,
&end
#
# 64 ALA QB 164 GUA H3' 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 3102, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 1098, 1099, 1100,
&end
#
# 64 ALA QB 164 GUA H4' 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 3082, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 1098, 1099, 1100,
&end
#
# 64 ALA QB 164 GUA H2'' 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 3105, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 1098, 1099, 1100,
&end
#
# 64 ALA QB 164 GUA H2' 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 3104, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 1098, 1099, 1100,
&end
#
# 66 TYR QE 145 CYT H5 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 2490, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 1129, 1134,
&end
#
# 66 TYR QE 145 CYT H42 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 2494, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 1129, 1134,
&end
#
# 66 TYR QE 146 THY Q7 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 1129, 1134,
igr2= 2521, 2522, 2523,
&end
#
# 91 ASN HD2+ 143 THY Q7 3.60
&rst
ixpk= 0, nxpk= 0, iat= 1545, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 2429, 2430, 2431,
&end
#
# 91 ASN HD2- 143 THY Q7 3.60
&rst
ixpk= 0, nxpk= 0, iat= 1546, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 2429, 2430, 2431,
&end
#
# 92 TYR QE 168 GUA H8 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 3216, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 1560, 1565,
&end
#
# 92 TYR QE 168 GUA H1' 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 3213, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 1560, 1565,
&end
#
# 92 TYR QE 167 ADE H3' 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 3197, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 1560, 1565,
&end
#
# 92 TYR QE 167 ADE H5'' 6.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 3176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 1560, 1565,
&end
#
# 93 GLN H 143 THY Q7 7.21
&rst
ixpk= 0, nxpk= 0, iat= 1571, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 2429, 2430, 2431,
&end
#
# 93 GLN H 142 THY Q7 6.61
&rst
ixpk= 0, nxpk= 0, iat= 1571, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 2397, 2398, 2399,
&end
#
# 93 GLN HB+ 143 THY Q7 4.50
&rst
ixpk= 0, nxpk= 0, iat= 1575, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 2429, 2430, 2431,
&end
#
# 93 GLN HB+ 142 THY Q7 5.40
&rst
ixpk= 0, nxpk= 0, iat= 1575, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 2397, 2398, 2399,
&end
#
# 93 GLN HB- 142 THY Q7 4.80
&rst
ixpk= 0, nxpk= 0, iat= 1576, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 2397, 2398, 2399,
&end
#
# 93 GLN HG+ 143 THY Q7 4.80
&rst
ixpk= 0, nxpk= 0, iat= 1578, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 2429, 2430, 2431,
&end
#
# 93 GLN HG+ 142 THY Q7 4.80
&rst
ixpk= 0, nxpk= 0, iat= 1578, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 2397, 2398, 2399,
&end
#
# 93 GLN HE2- 144 CYT H41 3.25
&rst
ixpk= 0, nxpk= 0, iat= 1584, 2463, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 93 GLN HE2- 144 CYT H42 3.00
&rst
ixpk= 0, nxpk= 0, iat= 1584, 2464, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 93 GLN HE2+ 144 CYT H41 3.25
&rst
ixpk= 0, nxpk= 0, iat= 1583, 2463, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 94 PHE QE 141 CYT H6 6.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 2364, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 1598, 1602,
&end
#
# 94 PHE QE 141 CYT H3' 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 2375, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 1598, 1602,
&end
#
# 94 PHE QE 141 CYT H2'' 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 2378, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 1598, 1602,
&end
#
# 94 PHE QE 141 CYT H2' 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 2377, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 1598, 1602,
&end
#
# 94 PHE QE 143 THY Q7 6.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 1598, 1602,
igr2= 2429, 2430, 2431,
&end
#
# 94 PHE QE 142 THY Q7 6.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 1598, 1602,
igr2= 2397, 2398, 2399,
&end
#
# 94 PHE QD 141 CYT H3' 6.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 2375, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 1596, 1604,
&end
#
# 94 PHE QD 141 CYT H2'' 6.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 2378, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 1596, 1604,
&end
#
# 94 PHE QD 143 THY Q7 7.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 1596, 1604,
igr2= 2429, 2430, 2431,
&end
#
# 94 PHE QD 142 THY Q7 6.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 1596, 1604,
igr2= 2397, 2398, 2399,
&end
#
# 94 PHE HZ 142 THY H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= 1600, 2394, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 PHE HZ 141 CYT H3' 3.25
&rst
ixpk= 0, nxpk= 0, iat= 1600, 2375, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 94 PHE HZ 141 CYT H4' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 1600, 2358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 PHE HZ 141 CYT H2'' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 1600, 2378, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 94 PHE HZ 142 THY Q7 4.80
&rst
ixpk= 0, nxpk= 0, iat= 1600, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 2397, 2398, 2399,
&end
#
# 116 LEU QD+ 166 CYT H5'' 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 3146, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 1939, 1940, 1941,
&end
#
# 116 LEU QD+ 166 CYT H5' 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 3145, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 1939, 1940, 1941,
&end
#
# 124 ILE QD1 165 GUA H3' 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 3135, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 2076, 2077, 2078,
&end
#
# 124 ILE QD1 165 GUA H4' 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 3115, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 2076, 2077, 2078,
&end
#
# 124 ILE QD1 165 GUA H5'' 6.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 3113, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 2076, 2077, 2078,
&end
#
# 124 ILE QD1 165 GUA H5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 3112, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 2076, 2077, 2078,
&end
#
# 124 ILE QG2 165 GUA H3' 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 3135, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 2069, 2070, 2071,
&end
#
# 124 ILE QG2 165 GUA H5'' 6.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 3113, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 2069, 2070, 2071,
&end
#
# 124 ILE QG2 165 GUA H5' 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 3112, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 2069, 2070, 2071,
&end
#
# 125 ARG+ H 165 GUA H4' 4.75
&rst
ixpk= 0, nxpk= 0, iat= 2082, 3115, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 125 ARG+ H 165 GUA H5'' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 2082, 3113, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 125 ARG+ H 165 GUA H5' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 2082, 3112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 125 ARG+ HE 165 GUA H4' 3.25
&rst
ixpk= 0, nxpk= 0, iat= 2095, 3115, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 125 ARG+ HE 165 GUA H5' 3.75
&rst
ixpk= 0, nxpk= 0, iat= 2095, 3112, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 127 TYR QD 150 ADE H1' 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 2640, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 2131, 2140,
&end
#
# 127 TYR QD 165 GUA H1' 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 3118, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 2131, 2140,
&end
#
# 127 TYR QD 150 ADE H3' 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 2656, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 2131, 2140,
&end
#
# 127 TYR QD 165 GUA H3' 6.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 3135, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 2131, 2140,
&end
#
# 127 TYR QD 150 ADE H4' 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 2637, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr1= 2131, 2140,
&end
#
# 127 TYR QD 165 GUA H4' 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 3115, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 2131, 2140,
&end
#
# 127 TYR QD 166 CYT H5'' 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 3146, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 2131, 2140,
&end
#
# 127 TYR QD 166 CYT H5' 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 3145, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 2131, 2140,
&end
#
# 127 TYR QE 150 ADE H2 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 2652, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 2133, 2138,
&end
#
# 127 TYR QE 150 ADE H1' 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 2640, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 2133, 2138,
&end
#
# 127 TYR QE 165 GUA H1' 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 3118, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 2133, 2138,
&end
#
# 127 TYR QE 150 ADE H3' 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 2656, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 2133, 2138,
&end
#
# 127 TYR QE 165 GUA H3' 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 3135, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 2133, 2138,
&end
#
# 127 TYR QE 150 ADE H4' 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 2637, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 2133, 2138,
&end
#
# 127 TYR QE 165 GUA H4' 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 3115, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 2133, 2138,
&end
#
# 127 TYR QE 166 CYT H5'' 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 3146, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 2133, 2138,
&end
#
# 127 TYR QE 165 GUA H5'' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 3113, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 2133, 2138,
&end
#
# 127 TYR QE 165 GUA H5' 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 3112, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 2133, 2138,
&end
#
# 129 TYR QD 150 ADE H4' 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 2637, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 2162, 2171,
&end
#
# 129 TYR QE 150 ADE H3' 6.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 2656, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 2164, 2169,
&end
#
# 129 TYR QE 150 ADE H4' 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 2637, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 2164, 2169,
&end
#
# 138 GUA O6 175 CYT N4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2270, 3445, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,
rk2= 30.0, rk3= 30.0, ir6= 1, ialtd= 0,
&end
#
# 138 GUA N1 175 CYT N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2271, 3448, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 138 GUA N2 175 CYT O2 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2274, 3450, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 139 THY O4 174 ADE N6 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2306, 3413, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 139 THY H3 174 ADE N1 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 2308, 3416, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 139 THY N3 174 ADE N1 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2307, 3416, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 140 GUA O6 173 CYT N4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2335, 3383, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 140 GUA N1 173 CYT N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2336, 3386, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 140 GUA N2 173 CYT O2 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2339, 3388, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 141 CYT N4 172 GUA O6 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2368, 3350, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 141 CYT N3 172 GUA N1 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2371, 3351, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 141 CYT O2 172 GUA N2 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2373, 3354, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 142 THY O4 171 ADE N6 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2401, 3318, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 142 THY N3 171 ADE N1 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2402, 3321, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 143 THY O4 170 ADE N6 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2433, 3286, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 143 THY N3 170 ADE N1 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2434, 3289, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 144 CYT N4 169 GUA O6 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2462, 3253, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 144 CYT N3 169 GUA N1 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2465, 3254, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 144 CYT O2 169 GUA N2 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2467, 3257, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 145 CYT N4 168 GUA O6 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2492, 3220, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 145 CYT N3 168 GUA N1 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2495, 3221, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 145 CYT O2 168 GUA N2 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2497, 3224, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 146 THY O4 167 ADE N6 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2525, 3188, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 146 THY N3 167 ADE N1 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2526, 3191, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 147 GUA O6 166 CYT N4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2554, 3158, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 147 GUA N1 166 CYT N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2555, 3161, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 147 GUA N2 166 CYT O2 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2558, 3163, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 148 CYT N4 165 GUA O6 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2587, 3125, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 148 CYT N3 165 GUA N1 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2590, 3126, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 148 CYT O2 165 GUA N2 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2592, 3129, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 149 CYT N4 164 GUA O6 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2617, 3092, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 149 CYT N3 164 GUA N1 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2620, 3093, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 149 CYT O2 164 GUA N2 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2622, 3096, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 150 ADE N6 163 THY O4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2647, 3063, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 150 ADE N1 163 THY N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2650, 3064, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 151 ADE N6 162 THY O4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2679, 3031, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 151 ADE N1 162 THY N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2682, 3032, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 152 THY O4 161 ADE N6 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2714, 2996, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 152 THY N3 161 ADE N1 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2715, 2999, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 153 ADE N6 160 THY O4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2743, 2967, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 153 ADE N1 160 THY N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2746, 2968, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 154 ADE N6 159 THY O4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2775, 2935, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 154 ADE N1 159 THY N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2778, 2936, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 155 CYT N4 158 GUA O6 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2807, 2899, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 155 CYT N3 158 GUA N1 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2810, 2900, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 155 CYT O2 158 GUA N2 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2812, 2903, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 156 GUA O6 157 CYT N4 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2837, 2869, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 156 GUA N1 157 CYT N3 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2838, 2872, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 156 GUA N2 157 CYT O2 2.70 3.00
&rst
ixpk= 0, nxpk= 0, iat= 2841, 2874, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50, &end
#
# 138 GUA C1' 175 CYT C1' 10.40 10.75
&rst
ixpk= 0, nxpk= 0, iat= 2262, 3437, r1= 9.90, r2= 10.40, r3= 10.75, r4= 11.25, &end
#
# 139 THY C1' 174 ADE C1' 10.40 10.75
&rst
ixpk= 0, nxpk= 0, iat= 2295, 3405, r1= 9.90, r2= 10.40, r3= 10.75, r4= 11.25, &end
#
# 140 GUA C1' 173 CYT C1' 10.40 10.75
&rst
ixpk= 0, nxpk= 0, iat= 2327, 3375, r1= 9.90, r2= 10.40, r3= 10.75, r4= 11.25, &end
#
# 141 CYT C1' 172 GUA C1' 10.40 10.75
&rst
ixpk= 0, nxpk= 0, iat= 2360, 3342, r1= 9.90, r2= 10.40, r3= 10.75, r4= 11.25, &end
#
# 142 THY C1' 171 ADE C1' 10.40 10.55
&rst
ixpk= 0, nxpk= 0, iat= 2390, 3310, r1= 9.90, r2= 10.40, r3= 10.55, r4= 11.05, &end
#
# 143 THY C1' 170 ADE C1' 10.40 10.75
&rst
ixpk= 0, nxpk= 0, iat= 2422, 3278, r1= 9.90, r2= 10.40, r3= 10.75, r4= 11.25, &end
#
# 144 CYT C1' 169 GUA C1' 10.40 10.95
&rst
ixpk= 0, nxpk= 0, iat= 2454, 3245, r1= 9.90, r2= 10.40, r3= 10.95, r4= 11.45, &end
#
# 145 CYT C1' 168 GUA C1' 10.40 10.65
&rst
ixpk= 0, nxpk= 0, iat= 2484, 3212, r1= 9.90, r2= 10.40, r3= 10.65, r4= 11.15, &end
#
# 146 THY C1' 167 ADE C1' 10.40 10.75
&rst
ixpk= 0, nxpk= 0, iat= 2514, 3180, r1= 9.90, r2= 10.40, r3= 10.75, r4= 11.25, &end
#
# 147 GUA C1' 166 CYT C1' 10.40 10.75
&rst
ixpk= 0, nxpk= 0, iat= 2546, 3150, r1= 9.90, r2= 10.40, r3= 10.75, r4= 11.25, &end
#
# 148 CYT C1' 165 GUA C1' 10.40 10.95
&rst
ixpk= 0, nxpk= 0, iat= 2579, 3117, r1= 9.90, r2= 10.40, r3= 10.95, r4= 11.45, &end
#
# 149 CYT C1' 164 GUA C1' 10.40 10.75
&rst
ixpk= 0, nxpk= 0, iat= 2609, 3084, r1= 9.90, r2= 10.40, r3= 10.75, r4= 11.25, &end
#
# 150 ADE C1' 163 THY C1' 10.40 10.75
&rst
ixpk= 0, nxpk= 0, iat= 2639, 3052, r1= 9.90, r2= 10.40, r3= 10.75, r4= 11.25, &end
#
# 151 ADE C1' 162 THY C1' 10.40 10.75
&rst
ixpk= 0, nxpk= 0, iat= 2671, 3020, r1= 9.90, r2= 10.40, r3= 10.75, r4= 11.25, &end
#
# 152 THY C1' 161 ADE C1' 10.40 10.75
&rst
ixpk= 0, nxpk= 0, iat= 2703, 2988, r1= 9.90, r2= 10.40, r3= 10.75, r4= 11.25, &end
#
# 153 ADE C1' 160 THY C1' 10.40 10.65
&rst
ixpk= 0, nxpk= 0, iat= 2735, 2956, r1= 9.90, r2= 10.40, r3= 10.65, r4= 11.15, &end
#
# 154 ADE C1' 159 THY C1' 10.40 10.55
&rst
ixpk= 0, nxpk= 0, iat= 2767, 2924, r1= 9.90, r2= 10.40, r3= 10.55, r4= 11.05, &end
#
# 155 CYT C1' 158 GUA C1' 10.40 10.55
&rst
ixpk= 0, nxpk= 0, iat= 2799, 2891, r1= 9.90, r2= 10.40, r3= 10.55, r4= 11.05, &end
#
# 156 GUA C1' 157 CYT C1' 10.40 10.75
&rst
ixpk= 0, nxpk= 0, iat= 2829, 2861, r1= 9.90, r2= 10.40, r3= 10.75, r4= 11.25, &end
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