NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
653198 |
7a4l   |
34487 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
# Restraints file 2: RSTall_PARAonly_7Cott
# 27 GLN N 25 CY3 SG3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 386, 359, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
/
#
# 49 LEU N 47 CYF SGF 3.70
&rst
ixpk= 0, nxpk= 0, iat= 728, 693, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, /
#
# 37 VAL N 34 CY4 SG4 3.70
&rst
ixpk= 0, nxpk= 0, iat= 540, 504, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, /
#
# 8 LYS H 47 CYF FE4 9.60
&rst
ixpk= 0, nxpk= 0, iat= 116, 694, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10, /
#
# 11 GLY H 47 CYF FE4 10.0
&rst
ixpk= 0, nxpk= 0, iat= 160, 694, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50, /
#
# 12 TYR H 47 CYF FE4 9.20
&rst
ixpk= 0, nxpk= 0, iat= 167, 694, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70, /
#
# 12 TYR QD 47 CYF FE3 6.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 175, 184,
/
#
# 13 GLN H 47 CYF FE3 7.50
&rst
ixpk= 0, nxpk= 0, iat= 188, 696, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, /
#
# 17 ASN H 47 CYF FE3 8.80
&rst
ixpk= 0, nxpk= 0, iat= 245, 696, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30, /
#
# 20 LYS H 47 CYF FE3 12.00
&rst
ixpk= 0, nxpk= 0, iat= 276, 696, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50, /
#
# 21 ARG H 47 CYF FE3 9.00
&rst
ixpk= 0, nxpk= 0, iat= 298, 696, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 22 CY2 H 47 CYF FE3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 322, 696, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 23 GLY H 47 CYF FE3 6.70
&rst
ixpk= 0, nxpk= 0, iat= 332, 696, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 24 THR H 47 CYF FE2 8.30
&rst
ixpk= 0, nxpk= 0, iat= 339, 698, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 25 CY3 H 47 CYF FE2 6.10
&rst
ixpk= 0, nxpk= 0, iat= 353, 698, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 26 ARG H 47 CYF FE2 6.20
&rst
ixpk= 0, nxpk= 0, iat= 363, 698, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 27 GLN H 47 CYF FE2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 387, 698, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 28 PHE H 47 CYF FE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 404, 698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 28 PHE H 47 CYF FE1 5.80
&rst
ixpk= 0, nxpk= 0, iat= 404, 700, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 28 PHE QD 47 CYF FE1 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1= 412, 420,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0
/
#
# 28 PHE QD 47 CYF FE3 7.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1= 412, 420,
/
#
# 29 ARG H 47 CYF FE1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 424, 700, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, /
#
# 33 SER H 47 CYF FE1 9.00
&rst
ixpk= 0, nxpk= 0, iat= 487, 700, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50, /
#
# 34 CY4 H 47 CYF FE1 7.10
&rst
ixpk= 0, nxpk= 0, iat= 498, 700, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, /
#
# 35 ILE H 47 CYF FE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 508, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 36 THR H 47 CYF FE1 5.20
&rst
ixpk= 0, nxpk= 0, iat= 527, 700, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 37 VAL H 47 CYF FE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 541, 700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, /
#
# 41 ILE H 47 CYF FE1 9.00
&rst
ixpk= 0, nxpk= 0, iat= 597, 700, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50, /
#
# 42 SER H 47 CYF FE1 8.10
&rst
ixpk= 0, nxpk= 0, iat= 616, 700, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60, /
#
# 44 ASN H 47 CYF FE3 9.00
&rst
ixpk= 0, nxpk= 0, iat= 642, 696, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50, /
#
# 45 GLY H 47 CYF FE3 6.80
&rst
ixpk= 0, nxpk= 0, iat= 656, 696, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 46 TRP H 47 CYF FE3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 663, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 47 CYF H 47 CYF FE4 4.80
&rst
ixpk= 0, nxpk= 0, iat= 687, 694, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 48 ARG H 47 CYF FE4 6.10
&rst
ixpk= 0, nxpk= 0, iat= 705, 694, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 49 LEU H 47 CYF FE4 5.00
&rst
ixpk= 0, nxpk= 0, iat= 729, 694, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 50 TYR QD 47 CYF FE2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 756, 765,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0
/
#
# 50 TYR H 47 CYF FE4 6.20
&rst
ixpk= 0, nxpk= 0, iat= 748, 694, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
rk2=150.0, rk3=150.0, ir6=1, ialtd=0
/
#
# 51 ALA H 47 CYF FE2 5.40
&rst
ixpk= 0, nxpk= 0, iat= 769, 698, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, /
#
# 46 TRP HE1 47 CYF FE4 7.50
&rst
ixpk= 0, nxpk= 0, iat= 673, 694, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, /
#
# 46 TRP HE1 47 CYF FE3 7.40
&rst
ixpk= 0, nxpk= 0, iat= 673, 696, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90, /
#
# 46 TRP HD1 47 CYF FE4 6.30
&rst
ixpk= 0, nxpk= 0, iat= 671, 694, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, /
#
# 46 TRP HD1 47 CYF FE3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 671, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, /
#
# 22 CY2 HB3 43 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 327, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 22 CY2 HB3 21 ARG HG3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 327, 306, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, /
#
# 22 CY2 HB3 23 GLY H 6.20
&rst
ixpk= 0, nxpk= 0, iat= 327, 332, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, /
#
# 22 CY2 HB3 28 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 412, 420,
/
#
# 22 CY2 HB3 28 PHE QE 5.30
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 414, 418,
/
#
# 34 CY4 HB3 37 VAL H 4.90
&rst
ixpk= 0, nxpk= 0, iat= 503, 541, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, /
#
# 34 CY4 HB3 41 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 503, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, /
#
# 22 CY2 HB3 47 CYF FE3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 327, 696, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, /
#
# 22 CY2 HB2 47 CYF FE3 4.46
&rst
ixpk= 0, nxpk= 0, iat= 326, 696, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, /
#
# 25 CY3 HB3 47 CYF FE2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 358, 698, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, /
#
# 25 CY3 HB2 47 CYF FE2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 357, 698, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, /
#
# 34 CY4 HB2 47 CYF FE1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 502, 700, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, /
#
# 47 CYF HB2 47 CYF FE4 4.30
&rst
ixpk= 0, nxpk= 0, iat= 691, 694, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, /
#
# 47 CYF HB3 47 CYF FE4 3.62
&rst
ixpk= 0, nxpk= 0, iat= 692, 694, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, /
#
# 22 CY2 CB 47 CYF FE3 3.30
&rst
ixpk= 0, nxpk= 0, iat= 325, 696, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, /
#
# 25 CY3 CB 47 CYF FE2 3.20
&rst
ixpk= 0, nxpk= 0, iat= 356, 698, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, /
#
# 25 CY3 CA 47 CYF FE2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 354, 698, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, /
#
# 34 CY4 CB 47 CYF FE1 3.20
&rst
ixpk= 0, nxpk= 0, iat= 501, 700, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, /
#
# 47 CYF CB 47 CYF FE4 3.40
&rst
ixpk= 0, nxpk= 0, iat= 690, 694, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, /
#
# 22 CY2 HA 47 CYF FE3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 324, 696, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, /
#
# 25 CY3 HA 47 CYF FE2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 355, 698, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, /
#
# 34 CY4 HA 47 CYF FE1 4.76
&rst
ixpk= 0, nxpk= 0, iat= 500, 700, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, /
#
# 7 HIS HA 47 CYF FE4 7.25
&rst
ixpk= 0, nxpk= 0, iat= 101, 694, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75, /
#
# 10 ALA HA 47 CYF FE4 7.68
&rst
ixpk= 0, nxpk= 0, iat= 152, 694, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18, /
#
# 11 GLY HA2 47 CYF FE4 9.13
&rst
ixpk= 0, nxpk= 0, iat= 162, 694, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, /
#
# 12 TYR HA 47 CYF FE4 6.49
&rst
ixpk= 0, nxpk= 0, iat= 169, 694, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, /
#
# 14 GLU HA 47 CYF FE3 9.74
&rst
ixpk= 0, nxpk= 0, iat= 207, 696, r1= 1.30, r2= 1.80, r3= 9.74, r4=10.24, /
#
# 16 PRO HA 47 CYF FE3 9.15
&rst
ixpk= 0, nxpk= 0, iat= 241, 696, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65, /
#
# 20 LYS HA 47 CYF FE2 8.59
&rst
ixpk= 0, nxpk= 0, iat= 278, 698, r1= 1.30, r2= 1.80, r3= 8.59, r4= 9.09, /
#
# 21 ARG HA 47 CYF FE3 5.90
&rst
ixpk= 0, nxpk= 0, iat= 300, 696, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, /
#
# 23 GLY HA3 47 CYF FE3 7.70
&rst
ixpk= 0, nxpk= 0, iat= 335, 696, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, /
#
# 23 GLY HA2 47 CYF FE3 8.30
&rst
ixpk= 0, nxpk= 0, iat= 334, 696, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80, /
#
# 26 ARG HA 47 CYF FE2 8.24
&rst
ixpk= 0, nxpk= 0, iat= 365, 698, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74, /
#
# 27 GLN HA 47 CYF FE2 6.90
&rst
ixpk= 0, nxpk= 0, iat= 389, 698, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, /
#
# 29 ARG HA 47 CYF FE1 9.20
&rst
ixpk= 0, nxpk= 0, iat= 426, 700, r1= 1.30, r2= 1.80, r3= 9.20, r4= 9.70, /
#
# 32 SER HA 47 CYF FE1 9.47
&rst
ixpk= 0, nxpk= 0, iat= 478, 700, r1= 1.30, r2= 1.80, r3= 9.47, r4= 9.97, /
#
# 35 ILE HA 47 CYF FE1 7.64
&rst
ixpk= 0, nxpk= 0, iat= 510, 700, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, /
#
# 37 VAL HA 47 CYF FE1 6.40
&rst
ixpk= 0, nxpk= 0, iat= 543, 700, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, /
#
# 38 GLU HA 47 CYF FE1 9.82
&rst
ixpk= 0, nxpk= 0, iat= 559, 700, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32, /
#
# 39 SER HA 47 CYF FE1 8.55
&rst
ixpk= 0, nxpk= 0, iat= 574, 700, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05, /
#
# 40 PRO HA 47 CYF FE1 12.02
&rst
ixpk= 0, nxpk= 0, iat= 593, 700, r1= 1.30, r2= 1.80, r3=12.02, r4=12.52, /
#
# 41 ILE HA 47 CYF FE3 9.80
&rst
ixpk= 0, nxpk= 0, iat= 599, 696, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, /
#
# 42 SER HA 47 CYF FE3 9.00
&rst
ixpk= 0, nxpk= 0, iat= 618, 696, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50, /
#
# 43 GLU HA 47 CYF FE3 6.53
&rst
ixpk= 0, nxpk= 0, iat= 629, 696, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, /
#
# 44 ASN HA 47 CYF FE3 8.74
&rst
ixpk= 0, nxpk= 0, iat= 644, 696, r1= 1.30, r2= 1.80, r3= 8.74, r4= 9.24, /
#
# 45 GLY HA2 47 CYF FE3 6.64
&rst
ixpk= 0, nxpk= 0, iat= 658, 696, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14, /
#
# 45 GLY HA3 47 CYF FE3 7.13
&rst
ixpk= 0, nxpk= 0, iat= 659, 696, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63, /
#
# 48 ARG HA 47 CYF FE4 6.76
&rst
ixpk= 0, nxpk= 0, iat= 707, 694, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26, /
#
# 49 LEU HA 47 CYF FE4 6.89
&rst
ixpk= 0, nxpk= 0, iat= 731, 694, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39, /
#
# 51 ALA HA 47 CYF FE2 8.00
&rst
ixpk= 0, nxpk= 0, iat= 771, 698, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50, /
#
# 51 ALA QB 47 CYF FE2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 773, 774, 775,
/
#
# 52 GLY HA2 47 CYF FE2 10.32
&rst
ixpk= 0, nxpk= 0, iat= 781, 698, r1= 1.30, r2= 1.80, r3=10.32, r4=10.82, /
#
# 53 LYS HA 47 CYF FE2 11.92
&rst
ixpk= 0, nxpk= 0, iat= 788, 698, r1= 1.30, r2= 1.80, r3=11.92, r4=12.42, /
#
# 4 LYS HB2 47 CYF FE1 10.73
&rst
ixpk= 0, nxpk= 0, iat= 60, 700, r1= 1.30, r2= 1.80, r3=10.73, r4=11.23, /
#
# 4 LYS HB3 47 CYF FE1 9.79
&rst
ixpk= 0, nxpk= 0, iat= 61, 700, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29, /
#
# 5 ALA QB 47 CYF FE1 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
igr1= 82, 83, 84,
/
#
# 7 HIS HB2 47 CYF FE3 10.40
&rst
ixpk= 0, nxpk= 0, iat= 103, 696, r1= 1.30, r2= 1.80, r3=10.40, r4=10.90, /
#
# 7 HIS HB3 47 CYF FE3 10.26
&rst
ixpk= 0, nxpk= 0, iat= 104, 696, r1= 1.30, r2= 1.80, r3=10.26, r4=10.76, /
#
# 10 ALA QB 47 CYF FE4 8.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3=10.45, r4=10.95,
igr1= 154, 155, 156,
/
#
# 12 TYR HB2 47 CYF FE3 6.01
&rst
ixpk= 0, nxpk= 0, iat= 171, 696, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, /
#
# 12 TYR HB3 47 CYF FE3 6.56
&rst
ixpk= 0, nxpk= 0, iat= 172, 696, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, /
#
# 16 PRO HB2 47 CYF FE3 10.45
&rst
ixpk= 0, nxpk= 0, iat= 238, 696, r1= 1.30, r2= 1.80, r3=10.45, r4=10.95, /
#
# 16 PRO HB3 47 CYF FE3 12.00
&rst
ixpk= 0, nxpk= 0, iat= 239, 696, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50, /
#
# 17 ASN HB2 47 CYF FE4 9.69
&rst
ixpk= 0, nxpk= 0, iat= 249, 694, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19, /
#
# 17 ASN HB3 47 CYF FE4 10.07
&rst
ixpk= 0, nxpk= 0, iat= 250, 694, r1= 1.30, r2= 1.80, r3=10.07, r4=10.57, /
#
# 20 LYS HB2 47 CYF FE2 9.00
&rst
ixpk= 0, nxpk= 0, iat= 280, 698, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50, /
#
# 20 LYS HB3 47 CYF FE2 8.90
&rst
ixpk= 0, nxpk= 0, iat= 281, 698, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, /
#
# 21 ARG HB2 47 CYF FE3 7.69
&rst
ixpk= 0, nxpk= 0, iat= 302, 696, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, /
#
# 24 THR HB 47 CYF FE2 9.70
&rst
ixpk= 0, nxpk= 0, iat= 343, 698, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20, /
#
# 26 ARG HB2 47 CYF FE2 7.70
&rst
ixpk= 0, nxpk= 0, iat= 367, 698, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, /
#
# 26 ARG HB3 47 CYF FE2 9.25
&rst
ixpk= 0, nxpk= 0, iat= 368, 698, r1= 1.30, r2= 1.80, r3= 9.25, r4= 9.75, /
#
# 28 PHE QB 47 CYF FE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 408, 409,
/
#
# 28 PHE QB 47 CYF FE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 408, 409,
/
#
# 29 ARG HB2 47 CYF FE1 8.87
&rst
ixpk= 0, nxpk= 0, iat= 428, 700, r1= 1.30, r2= 1.80, r3= 8.87, r4= 9.37, /
#
# 29 ARG HB3 47 CYF FE1 8.40
&rst
ixpk= 0, nxpk= 0, iat= 429, 700, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90, /
#
# 33 SER HB2 47 CYF FE1 8.52
&rst
ixpk= 0, nxpk= 0, iat= 491, 700, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02, /
#
# 33 SER HB3 47 CYF FE1 8.61
&rst
ixpk= 0, nxpk= 0, iat= 492, 700, r1= 1.30, r2= 1.80, r3= 8.61, r4= 9.11, /
#
# 35 ILE HB 47 CYF FE1 7.12
&rst
ixpk= 0, nxpk= 0, iat= 512, 700, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62, /
#
# 38 GLU HB2 47 CYF FE1 9.86
&rst
ixpk= 0, nxpk= 0, iat= 561, 700, r1= 1.30, r2= 1.80, r3= 9.86, r4=10.36, /
#
# 38 GLU HB3 47 CYF FE1 9.82
&rst
ixpk= 0, nxpk= 0, iat= 562, 700, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32, /
#
# 41 ILE HB 47 CYF FE1 6.50
&rst
ixpk= 0, nxpk= 0, iat= 601, 700, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, /
#
# 42 SER HB2 47 CYF FE3 8.61
&rst
ixpk= 0, nxpk= 0, iat= 620, 696, r1= 1.30, r2= 1.80, r3= 8.61, r4= 9.11, /
#
# 42 SER HB3 47 CYF FE3 7.71
&rst
ixpk= 0, nxpk= 0, iat= 621, 696, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21, /
#
# 43 GLU HB2 47 CYF FE1 9.41
&rst
ixpk= 0, nxpk= 0, iat= 631, 700, r1= 1.30, r2= 1.80, r3= 9.41, r4= 9.91, /
#
# 43 GLU HB3 47 CYF FE1 10.15
&rst
ixpk= 0, nxpk= 0, iat= 632, 700, r1= 1.30, r2= 1.80, r3=10.15, r4=10.65, /
#
# 44 ASN HB3 47 CYF FE3 11.96
&rst
ixpk= 0, nxpk= 0, iat= 647, 696, r1= 1.30, r2= 1.80, r3=11.96, r4=12.46, /
#
# 46 TRP HB2 47 CYF FE3 6.49
&rst
ixpk= 0, nxpk= 0, iat= 667, 696, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, /
#
# 46 TRP HB3 47 CYF FE3 6.30
&rst
ixpk= 0, nxpk= 0, iat= 668, 696, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, /
#
# 48 ARG QB 47 CYF FE4 10.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 709, 710,
/
#
# 51 ALA QB 47 CYF FE2 6.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 773, 774, 775,
/
#
# 53 LYS QB 47 CYF FE2 9.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3=11.16, r4=11.66,
igr1= 790, 791,
/
#
# 3 LYS QD 47 CYF FE1 13.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3=15.18, r4=15.68,
igr1= 44, 45,
/
#
# 20 LYS HD2 47 CYF FE2 10.40
&rst
ixpk= 0, nxpk= 0, iat= 286, 698, r1= 1.30, r2= 1.80, r3=10.40, r4=10.90, /
#
# 20 LYS HD3 47 CYF FE2 9.80
&rst
ixpk= 0, nxpk= 0, iat= 287, 698, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, /
#
# 8 LYS HD2 47 CYF FE4 12.34
&rst
ixpk= 0, nxpk= 0, iat= 126, 694, r1= 1.30, r2= 1.80, r3=12.34, r4=12.84, /
#
# 8 LYS HD3 47 CYF FE4 12.73
&rst
ixpk= 0, nxpk= 0, iat= 127, 694, r1= 1.30, r2= 1.80, r3=12.73, r4=13.23, /
#
# 16 PRO HD2 47 CYF FE3 14.48
&rst
ixpk= 0, nxpk= 0, iat= 232, 696, r1= 1.30, r2= 1.80, r3=14.48, r4=14.98, /
#
# 16 PRO HD3 47 CYF FE3 13.37
&rst
ixpk= 0, nxpk= 0, iat= 233, 696, r1= 1.30, r2= 1.80, r3=13.37, r4=13.87, /
#
# 30 PRO HD2 47 CYF FE1 10.98
&rst
ixpk= 0, nxpk= 0, iat= 449, 700, r1= 1.30, r2= 1.80, r3=10.98, r4=11.48, /
#
# 30 PRO HD3 47 CYF FE1 9.71
&rst
ixpk= 0, nxpk= 0, iat= 450, 700, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21, /
#
# 21 ARG HD2 47 CYF FE3 9.96
&rst
ixpk= 0, nxpk= 0, iat= 308, 696, r1= 1.30, r2= 1.80, r3= 9.96, r4=10.46, /
#
# 21 ARG HD3 47 CYF FE3 10.03
&rst
ixpk= 0, nxpk= 0, iat= 309, 696, r1= 1.30, r2= 1.80, r3=10.03, r4=10.53, /
#
# 26 ARG HD2 47 CYF FE2 10.00
&rst
ixpk= 0, nxpk= 0, iat= 373, 698, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50, /
#
# 26 ARG HD3 47 CYF FE2 9300
&rst
ixpk= 0, nxpk= 0, iat= 374, 698, r1= 1.30, r2= 1.80, r3=9300.00, r4=9300.50, /
#
# 29 ARG HD2 47 CYF FE1 10.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 700, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50, /
#
# 29 ARG HD3 47 CYF FE1 9.71
&rst
ixpk= 0, nxpk= 0, iat= 435, 700, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21, /
#
# 48 ARG HD2 47 CYF FE4 11.36
&rst
ixpk= 0, nxpk= 0, iat= 715, 694, r1= 1.30, r2= 1.80, r3=11.36, r4=11.86, /
#
# 48 ARG HD3 47 CYF FE4 9.71
&rst
ixpk= 0, nxpk= 0, iat= 716, 694, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21, /
#
# 53 LYS QD 47 CYF FE2 10.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35,
igr1= 796, 797,
/
#
# 35 ILE QD1 47 CYF FE1 9.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 521, 522, 523,
/
#
# 41 ILE QD1 47 CYF FE1 12.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3=15.14, r4=15.64,
igr1= 610, 611, 612,
/
#
# 49 LEU QD2 47 CYF FE4 9.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3=10.94, r4=11.44,
igr1= 742, 743, 744,
/
#
# 4 LYS HG2 47 CYF FE1 10.48
&rst
ixpk= 0, nxpk= 0, iat= 63, 700, r1= 1.30, r2= 1.80, r3=10.48, r4=10.98, /
#
# 4 LYS HG3 47 CYF FE1 9.02
&rst
ixpk= 0, nxpk= 0, iat= 64, 700, r1= 1.30, r2= 1.80, r3= 9.02, r4= 9.52, /
#
# 4 LYS HE2 47 CYF FE1 10.14
&rst
ixpk= 0, nxpk= 0, iat= 69, 700, r1= 1.30, r2= 1.80, r3=10.14, r4=10.64, /
#
# 4 LYS HE3 47 CYF FE1 9.85
&rst
ixpk= 0, nxpk= 0, iat= 70, 700, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35, /
#
# 13 GLN HG2 47 CYF FE4 9.83
&rst
ixpk= 0, nxpk= 0, iat= 195, 694, r1= 1.30, r2= 1.80, r3= 9.83, r4=10.33, /
#
# 13 GLN HG3 47 CYF FE4 9.78
&rst
ixpk= 0, nxpk= 0, iat= 196, 694, r1= 1.30, r2= 1.80, r3= 9.78, r4=10.28, /
#
# 14 GLU QG 47 CYF FE3 11.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3=12.44, r4=12.94,
igr1= 212, 213,
/
#
# 16 PRO HG3 47 CYF FE3 9.18
&rst
ixpk= 0, nxpk= 0, iat= 236, 696, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68, /
#
# 20 LYS HG2 47 CYF FE2 9.99
&rst
ixpk= 0, nxpk= 0, iat= 283, 698, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49, /
#
# 20 LYS HG3 47 CYF FE2 10.24
&rst
ixpk= 0, nxpk= 0, iat= 284, 698, r1= 1.30, r2= 1.80, r3=10.24, r4=10.74, /
#
# 21 ARG HG2 47 CYF FE3 9.65
&rst
ixpk= 0, nxpk= 0, iat= 305, 696, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15, /
#
# 21 ARG HG3 47 CYF FE3 8.46
&rst
ixpk= 0, nxpk= 0, iat= 306, 696, r1= 1.30, r2= 1.80, r3= 8.46, r4= 8.96, /
#
# 24 THR QG2 47 CYF FE3 11.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3=14.01, r4=14.51,
igr1= 345, 346, 347,
/
#
# 26 ARG HG2 47 CYF FE2 8.26
&rst
ixpk= 0, nxpk= 0, iat= 370, 698, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76, /
#
# 26 ARG HG3 47 CYF FE2 8.89
&rst
ixpk= 0, nxpk= 0, iat= 371, 698, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39, /
#
# 29 ARG HG2 47 CYF FE1 9.21
&rst
ixpk= 0, nxpk= 0, iat= 431, 700, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71, /
#
# 29 ARG HG3 47 CYF FE1 9.55
&rst
ixpk= 0, nxpk= 0, iat= 432, 700, r1= 1.30, r2= 1.80, r3= 9.55, r4=10.05, /
#
# 35 ILE HG12 47 CYF FE1 8.82
&rst
ixpk= 0, nxpk= 0, iat= 518, 700, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32, /
#
# 35 ILE HG13 47 CYF FE1 7.97
&rst
ixpk= 0, nxpk= 0, iat= 519, 700, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47, /
#
# 35 ILE QG2 47 CYF FE1 8.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3=10.28, r4=10.78,
igr1= 514, 515, 516,
/
#
# 37 VAL QG2 47 CYF FE4 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 551, 552, 553,
/
#
# 41 ILE HG12 47 CYF FE1 6.28
&rst
ixpk= 0, nxpk= 0, iat= 607, 700, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78, /
#
# 41 ILE HG13 47 CYF FE1 6.10
&rst
ixpk= 0, nxpk= 0, iat= 608, 700, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
#
# 41 ILE QG2 47 CYF FE1 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 603, 604, 605,
/
#
# 38 GLU HG2 47 CYF FE1 12.01
&rst
ixpk= 0, nxpk= 0, iat= 564, 700, r1= 1.30, r2= 1.80, r3=12.01, r4=12.51, /
#
# 38 GLU HG3 47 CYF FE1 12.30
&rst
ixpk= 0, nxpk= 0, iat= 565, 700, r1= 1.30, r2= 1.80, r3=12.30, r4=12.80, /
#
# 43 GLU HG2 47 CYF FE1 11.07
&rst
ixpk= 0, nxpk= 0, iat= 634, 700, r1= 1.30, r2= 1.80, r3=11.07, r4=11.57, /
#
# 48 ARG HG2 47 CYF FE4 8.67
&rst
ixpk= 0, nxpk= 0, iat= 712, 694, r1= 1.30, r2= 1.80, r3= 8.67, r4= 9.17, /
#
# 48 ARG HG2 47 CYF FE4 8.90
&rst
ixpk= 0, nxpk= 0, iat= 712, 694, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40, /
#
# 49 LEU HG 47 CYF FE4 10.43
&rst
ixpk= 0, nxpk= 0, iat= 736, 694, r1= 1.30, r2= 1.80, r3=10.43, r4=10.93, /
#
# 53 LYS QG 47 CYF FE2 10.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 698, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 793, 794,
/
#
# 47 CYF FE1 47 CYF S2 2.32
&rst
ixpk= 0, nxpk= 0, iat= 700, 701, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 47 CYF FE1 47 CYF S4 2.32
&rst
ixpk= 0, nxpk= 0, iat= 700, 697, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 47 CYF FE2 47 CYF S1 2.32
&rst
ixpk= 0, nxpk= 0, iat= 698, 695, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 47 CYF FE2 47 CYF S3 2.32
&rst
ixpk= 0, nxpk= 0, iat= 698, 699, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 47 CYF FE3 47 CYF S4 2.32
&rst
ixpk= 0, nxpk= 0, iat= 696, 697, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 47 CYF FE3 47 CYF S1 2.32
&rst
ixpk= 0, nxpk= 0, iat= 696, 695, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 47 CYF FE4 47 CYF S2 2.32
&rst
ixpk= 0, nxpk= 0, iat= 694, 701, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 47 CYF FE4 47 CYF S3 2.32
&rst
ixpk= 0, nxpk= 0, iat= 694, 699, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, /
#
# 47 CYF S1 47 CYF S4 3.60
&rst
ixpk= 0, nxpk= 0, iat= 695, 697, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, /
#
# 47 CYF S1 47 CYF S3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 695, 699, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, /
#
# 47 CYF S1 47 CYF S2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 695, 701, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, /
#
# 47 CYF S2 47 CYF S3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 701, 699, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, /
#
# 47 CYF S2 47 CYF S4 3.60
&rst
ixpk= 0, nxpk= 0, iat= 701, 697, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, /
#
# 47 CYF S4 47 CYF S3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 697, 699, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, /
#
# 47 CYF FE4 47 CYF FE2 2.75
&rst
ixpk= 0, nxpk= 0, iat= 694, 698, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, /
#
# 47 CYF FE4 47 CYF FE1 2.75
&rst
ixpk= 0, nxpk= 0, iat= 694, 700, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, /
#
# 47 CYF FE4 47 CYF FE3 2.75
&rst
ixpk= 0, nxpk= 0, iat= 694, 696, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, /
#
# 47 CYF FE3 47 CYF FE1 2.75
&rst
ixpk= 0, nxpk= 0, iat= 696, 700, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, /
#
# 47 CYF FE3 47 CYF FE2 2.75
&rst
ixpk= 0, nxpk= 0, iat= 696, 698, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, /
#
# 47 CYF FE2 47 CYF FE1 2.75
&rst
ixpk= 0, nxpk= 0, iat= 698, 700, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, /
#
# 22 CY2 SG2 25 CY3 SG3 6.10
&rst
ixpk= 0, nxpk= 0, iat= 328, 359, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
#
# 47 CYF SGF 25 CY3 SG3 6.10
&rst
ixpk= 0, nxpk= 0, iat= 693, 359, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
#
# 47 CYF SGF 22 CY2 SG2 6.10
&rst
ixpk= 0, nxpk= 0, iat= 693, 328, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
#
# 25 CY3 SG3 34 CY4 SG4 6.10
&rst
ixpk= 0, nxpk= 0, iat= 359, 504, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
#
# 22 CY2 SG2 34 CY4 SG4 6.10
&rst
ixpk= 0, nxpk= 0, iat= 328, 504, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
#
# 47 CYF SGF 34 CY4 SG4 6.10
&rst
ixpk= 0, nxpk= 0, iat= 693, 504, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, /
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