NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
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532030 |
2lfj   |
17762 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
# 2 GLU- HG2 4 ALA QB 1.800 5.660
&rst iat= 33, -1, r1=1.300, r2=1.800, r3=5.660, r4= 6.160,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 33, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 56, 57, 58, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 3 SER HA 4 ALA QB 1.800 5.690
&rst iat= 43, -1, r1=1.300, r2=1.800, r3=5.690, r4= 6.190,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 43, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 56, 57, 58, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 3 SER HB2 4 ALA QB 1.800 6.530
&rst iat= 45, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 45, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 56, 57, 58, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 4 ALA QB 4 ALA HA 1.800 3.770
&rst iat= -1, 54, r1=1.300, r2=1.800, r3=3.770, r4= 4.270,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 56, 57, 58, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 54, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 4 ALA QB 7 LYS+ HB3 1.800 6.120
&rst iat= -1, 87, r1=1.300, r2=1.800, r3=6.120, r4= 6.620,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 56, 57, 58, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 87, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 5 ALA QB 5 ALA HA 1.800 4.110
&rst iat= -1, 64, r1=1.300, r2=1.800, r3=4.110, r4= 4.610,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 66, 67, 68, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 64, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 5 ALA QB 116 VAL QG2 1.800 5.700
&rst iat= -1, -1, r1=1.300, r2=1.800, r3=5.700, r4= 6.200,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 66, 67, 68, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1777, 1778, 1779, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 9 GLU- HA 54 VAL QG1 1.800 6.530
&rst iat= 126, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 126, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 818, 819, 820, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 9 GLU- HG2 54 VAL QG1 1.800 5.570
&rst iat= 131, -1, r1=1.300, r2=1.800, r3=5.570, r4= 6.070,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 131, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 818, 819, 820, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 9 GLU- HG3 54 VAL QG1 1.800 6.530
&rst iat= 132, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 132, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 818, 819, 820, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 13 MET HB2 13 MET QE 1.800 6.190
&rst iat= 202, -1, r1=1.300, r2=1.800, r3=6.190, r4= 6.690,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 202, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 211, 212, 213, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 13 MET HB3 13 MET QE 1.800 6.530
&rst iat= 203, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 203, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 211, 212, 213, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 9 GLU- HB3 51 LEU QD1 1.800 6.530
&rst iat= 129, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 129, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 780, 781, 782, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 12 HIS+ HA 47 VAL QG2 1.800 6.530
&rst iat= 182, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 182, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 721, 722, 723, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 13 MET HA 47 VAL QG2 1.800 6.530
&rst iat= 200, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 200, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 721, 722, 723, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 13 MET HA 47 VAL QG1 1.800 6.120
&rst iat= 200, -1, r1=1.300, r2=1.800, r3=6.120, r4= 6.620,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 200, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 717, 718, 719, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 25 TYR HA 28 LEU QD1 1.800 6.120
&rst iat= 346, -1, r1=1.300, r2=1.800, r3=6.120, r4= 6.620,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 346, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 400, 401, 402, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 25 TYR HB2 99 THR QG2 1.800 5.320
&rst iat= 348, -1, r1=1.300, r2=1.800, r3=5.320, r4= 5.820,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 348, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1520, 1521, 1522, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 25 TYR HD1 82 THR QG2 1.800 5.130
&rst iat= 352, -1, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 352, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1264, 1265, 1266, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 28 LEU HA 28 LEU QD1 1.800 3.990
&rst iat= 393, -1, r1=1.300, r2=1.800, r3=3.990, r4= 4.490,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 393, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 400, 401, 402, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 28 LEU HB2 28 LEU QD1 1.800 4.360
&rst iat= 395, -1, r1=1.300, r2=1.800, r3=4.360, r4= 4.860,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 395, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 400, 401, 402, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 28 LEU HB3 28 LEU QD1 1.800 4.020
&rst iat= 396, -1, r1=1.300, r2=1.800, r3=4.020, r4= 4.520,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 396, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 400, 401, 402, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 36 THR HA 36 THR QG2 1.800 4.260
&rst iat= 541, -1, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 541, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 545, 546, 547, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 96 ALA HA 96 ALA QB 1.800 3.490
&rst iat=1463, -1, r1=1.300, r2=1.800, r3=3.490, r4= 3.990,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1463, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1465, 1466, 1467, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 42 PRO HA 43 VAL QG1 1.800 6.530
&rst iat= 643, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 643, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 653, 654, 655, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 42 PRO HB2 43 VAL QG1 1.800 4.570
&rst iat= 640, -1, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 640, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 653, 654, 655, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 42 PRO HG2 43 VAL QG1 1.800 5.070
&rst iat= 637, -1, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 637, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 653, 654, 655, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 43 VAL HA 43 VAL QG1 1.800 3.680
&rst iat= 649, -1, r1=1.300, r2=1.800, r3=3.680, r4= 4.180,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 649, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 653, 654, 655, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 81 ILE HA 81 ILE QG2 1.800 3.860
&rst iat=1241, -1, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1241, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1245, 1246, 1247, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 43 VAL QG1 43 VAL HB 1.800 4.510
&rst iat= -1, 651, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 653, 654, 655, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 651, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 95 CYSS HA 96 ALA QB 1.800 6.530
&rst iat=1451, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1451, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1465, 1466, 1467, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 78 THR QG2 104 LYS+ HA 1.800 4.080
&rst iat= -1, 1592, r1=1.300, r2=1.800, r3=4.080, r4= 4.580,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1188, 1189, 1190, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1592, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 45 THR HA 45 THR QG2 1.800 4.170
&rst iat= 679, -1, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 679, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 683, 684, 685, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 45 THR HB 45 THR QG2 1.800 3.740
&rst iat= 681, -1, r1=1.300, r2=1.800, r3=3.740, r4= 4.240,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 681, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 683, 684, 685, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 46 PHE HA 47 VAL QG2 1.800 6.310
&rst iat= 693, -1, r1=1.300, r2=1.800, r3=6.310, r4= 6.810,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 693, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 721, 722, 723, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 47 VAL HA 81 ILE QG2 1.800 3.830
&rst iat= 713, -1, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 713, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1245, 1246, 1247, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 47 VAL QG2 82 THR HN 1.800 6.190
&rst iat= -1, 1258, r1=1.300, r2=1.800, r3=6.190, r4= 6.690,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 721, 722, 723, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1258, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 47 VAL HA 47 VAL QG2 1.800 5.660
&rst iat= 713, -1, r1=1.300, r2=1.800, r3=5.660, r4= 6.160,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 713, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 721, 722, 723, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 47 VAL HB 47 VAL QG2 1.800 4.420
&rst iat= 715, -1, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 715, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 721, 722, 723, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 47 VAL QG1 82 THR HN 1.800 6.530
&rst iat= -1, 1258, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 717, 718, 719, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1258, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 47 VAL HA 47 VAL QG1 1.800 4.450
&rst iat= 713, -1, r1=1.300, r2=1.800, r3=4.450, r4= 4.950,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 713, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 717, 718, 719, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 47 VAL HB 47 VAL QG1 1.800 3.610
&rst iat= 715, -1, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 715, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 717, 718, 719, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 47 VAL QG1 49 GLU- HB3 1.800 5.470
&rst iat= -1, 750, r1=1.300, r2=1.800, r3=5.470, r4= 5.970,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 717, 718, 719, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 750, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 47 VAL QG1 49 GLU- HB2 1.800 6.530
&rst iat= -1, 749, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 717, 718, 719, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 749, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 13 MET QE 51 LEU HA 1.800 4.140
&rst iat= -1, 773, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 211, 212, 213, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 773, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 51 LEU HA 51 LEU QD2 1.800 5.010
&rst iat= 773, -1, r1=1.300, r2=1.800, r3=5.010, r4= 5.510,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 773, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 784, 785, 786, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 13 MET QE 51 LEU HB3 1.800 5.880
&rst iat= -1, 776, r1=1.300, r2=1.800, r3=5.880, r4= 6.380,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 211, 212, 213, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 776, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 13 MET QE 51 LEU HB2 1.800 5.880
&rst iat= -1, 775, r1=1.300, r2=1.800, r3=5.880, r4= 6.380,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 211, 212, 213, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 775, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 51 LEU HB3 51 LEU QD2 1.800 4.390
&rst iat= 776, -1, r1=1.300, r2=1.800, r3=4.390, r4= 4.890,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 776, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 784, 785, 786, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 51 LEU QD1 51 LEU HG 1.800 4.390
&rst iat= -1, 778, r1=1.300, r2=1.800, r3=4.390, r4= 4.890,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 780, 781, 782, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 778, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 51 LEU HG 51 LEU QD2 1.800 4.300
&rst iat= 778, -1, r1=1.300, r2=1.800, r3=4.300, r4= 4.800,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 778, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 784, 785, 786, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 51 LEU HB2 51 LEU QD2 1.800 3.830
&rst iat= 775, -1, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 775, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 784, 785, 786, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 52 ALA QB 52 ALA HA 1.800 3.680
&rst iat= -1, 792, r1=1.300, r2=1.800, r3=3.680, r4= 4.180,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 794, 795, 796, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 792, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 51 LEU QD2 52 ALA HA 1.800 6.530
&rst iat= -1, 792, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 784, 785, 786, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 792, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 53 ASP- HB2 54 VAL QG2 1.800 6.470
&rst iat= 804, -1, r1=1.300, r2=1.800, r3=6.470, r4= 6.970,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 804, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 822, 823, 824, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 13 MET QE 53 ASP- HB3 1.800 6.160
&rst iat= -1, 805, r1=1.300, r2=1.800, r3=6.160, r4= 6.660,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 211, 212, 213, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 805, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 53 ASP- HB3 56 ALA QB 1.800 6.530
&rst iat= 805, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 805, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 854, 855, 856, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 53 ASP- HB3 54 VAL QG2 1.800 6.530
&rst iat= 805, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 805, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 822, 823, 824, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 54 VAL HA 54 VAL QG2 1.800 3.430
&rst iat= 814, -1, r1=1.300, r2=1.800, r3=3.430, r4= 3.930,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 814, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 822, 823, 824, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 54 VAL HA 57 VAL QG2 1.800 5.690
&rst iat= 814, -1, r1=1.300, r2=1.800, r3=5.690, r4= 6.190,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 814, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 870, 871, 872, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 54 VAL QG1 54 VAL HB 1.800 3.990
&rst iat= -1, 816, r1=1.300, r2=1.800, r3=3.990, r4= 4.490,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 818, 819, 820, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 816, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 13 MET QE 54 VAL QG2 1.800 6.590
&rst iat= -1, -1, r1=1.300, r2=1.800, r3=6.590, r4= 7.090,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 211, 212, 213, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 822, 823, 824, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 54 VAL HB 54 VAL QG2 1.800 4.230
&rst iat= 816, -1, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 816, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 822, 823, 824, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 54 VAL HN 54 VAL QG2 1.800 4.230
&rst iat= 812, -1, r1=1.300, r2=1.800, r3=4.230, r4= 4.730,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 812, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 822, 823, 824, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 54 VAL QG1 117 PRO HG2 1.800 4.610
&rst iat= -1, 1787, r1=1.300, r2=1.800, r3=4.610, r4= 5.110,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 818, 819, 820, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1787, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 54 VAL HA 54 VAL QG1 1.800 4.790
&rst iat= 814, -1, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 814, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 818, 819, 820, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 13 MET QE 54 VAL QG1 1.800 7.340
&rst iat= -1, -1, r1=1.300, r2=1.800, r3=7.340, r4= 7.840,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 211, 212, 213, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 818, 819, 820, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 54 VAL QG1 58 CYSS HN 1.800 5.500
&rst iat= -1, 876, r1=1.300, r2=1.800, r3=5.500, r4= 6.000,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 818, 819, 820, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 876, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 8 PHE HZ 54 VAL QG1 1.800 4.610
&rst iat= 116, -1, r1=1.300, r2=1.800, r3=4.610, r4= 5.110,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 116, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 818, 819, 820, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 54 VAL QG1 55 LYS+ HN 1.800 6.530
&rst iat= -1, 828, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 818, 819, 820, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 828, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 56 ALA QB 56 ALA HA 1.800 3.830
&rst iat= -1, 852, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 854, 855, 856, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 852, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL HA 57 VAL QG1 1.800 4.080
&rst iat= 862, -1, r1=1.300, r2=1.800, r3=4.080, r4= 4.580,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 862, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 866, 867, 868, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 56 ALA QB 57 VAL HA 1.800 6.500
&rst iat= -1, 862, r1=1.300, r2=1.800, r3=6.500, r4= 7.000,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 854, 855, 856, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 862, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL QG1 57 VAL HB 1.800 4.050
&rst iat= -1, 864, r1=1.300, r2=1.800, r3=4.050, r4= 4.550,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 866, 867, 868, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 864, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL QG1 57 VAL QG2 1.800 5.320
&rst iat= -1, -1, r1=1.300, r2=1.800, r3=5.320, r4= 5.820,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 866, 867, 868, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 870, 871, 872, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL HB 57 VAL QG2 1.800 3.740
&rst iat= 864, -1, r1=1.300, r2=1.800, r3=3.740, r4= 4.240,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 864, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 870, 871, 872, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL HA 57 VAL QG2 1.800 4.330
&rst iat= 862, -1, r1=1.300, r2=1.800, r3=4.330, r4= 4.830,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 862, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 870, 871, 872, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL HN 57 VAL QG2 1.800 5.660
&rst iat= 860, -1, r1=1.300, r2=1.800, r3=5.660, r4= 6.160,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 860, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 870, 871, 872, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 54 VAL HA 57 VAL QG1 1.800 4.950
&rst iat= 814, -1, r1=1.300, r2=1.800, r3=4.950, r4= 5.450,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 814, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 866, 867, 868, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL QG1 58 CYSS HN 1.800 6.530
&rst iat= -1, 876, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 866, 867, 868, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 876, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL HN 57 VAL QG1 1.800 4.360
&rst iat= 860, -1, r1=1.300, r2=1.800, r3=4.360, r4= 4.860,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 860, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 866, 867, 868, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 62 LYS+ HA 63 VAL QG1 1.800 5.350
&rst iat= 940, -1, r1=1.300, r2=1.800, r3=5.350, r4= 5.850,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 940, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 966, 967, 968, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL HA 63 VAL QG2 1.800 4.200
&rst iat= 962, -1, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 962, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 970, 971, 972, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL HA 63 VAL QG1 1.800 3.610
&rst iat= 962, -1, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 962, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 966, 967, 968, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG1 63 VAL QG2 1.800 5.260
&rst iat= -1, -1, r1=1.300, r2=1.800, r3=5.260, r4= 5.760,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 966, 967, 968, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 970, 971, 972, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG2 107 ILE HB 1.800 6.430
&rst iat= -1, 1653, r1=1.300, r2=1.800, r3=6.430, r4= 6.930,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 970, 971, 972, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1653, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG2 74 GLN HB3 1.800 5.810
&rst iat= -1, 1126, r1=1.300, r2=1.800, r3=5.810, r4= 6.310,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 970, 971, 972, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1126, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG2 74 GLN HB2 1.800 5.010
&rst iat= -1, 1125, r1=1.300, r2=1.800, r3=5.010, r4= 5.510,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 970, 971, 972, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1125, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL HB 63 VAL QG2 1.800 4.080
&rst iat= 964, -1, r1=1.300, r2=1.800, r3=4.080, r4= 4.580,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 964, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 970, 971, 972, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG2 72 CYSS HB2 1.800 5.040
&rst iat= -1, 1092, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 970, 971, 972, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1092, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG2 74 GLN HN 1.800 6.430
&rst iat= -1, 1121, r1=1.300, r2=1.800, r3=6.430, r4= 6.930,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 970, 971, 972, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1121, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL HB 63 VAL QG1 1.800 3.830
&rst iat= 964, -1, r1=1.300, r2=1.800, r3=3.830, r4= 4.330,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 964, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 966, 967, 968, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG1 74 GLN HB2 1.800 3.860
&rst iat= -1, 1125, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 966, 967, 968, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1125, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG1 74 GLN HB3 1.800 4.640
&rst iat= -1, 1126, r1=1.300, r2=1.800, r3=4.640, r4= 5.140,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 966, 967, 968, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1126, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 64 THR HA 64 THR QG2 1.800 4.050
&rst iat= 978, -1, r1=1.300, r2=1.800, r3=4.050, r4= 4.550,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 978, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 982, 983, 984, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 64 THR QG2 66 LYS+ HA 1.800 6.530
&rst iat= -1, 1004, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 982, 983, 984, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1004, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 64 THR QG2 68 GLY HA2 1.800 4.110
&rst iat= -1, 1039, r1=1.300, r2=1.800, r3=4.110, r4= 4.610,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 982, 983, 984, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1039, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 64 THR QG2 68 GLY HA1 1.800 4.170
&rst iat= -1, 1038, r1=1.300, r2=1.800, r3=4.170, r4= 4.670,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 982, 983, 984, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1038, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 70 THR HA 70 THR QG2 1.800 3.920
&rst iat=1062, -1, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1062, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1066, 1067, 1068, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 70 THR QG2 70 THR HB 1.800 3.580
&rst iat= -1, 1064, r1=1.300, r2=1.800, r3=3.580, r4= 4.080,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1066, 1067, 1068, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1064, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 70 THR QG2 71 ASN HA 1.800 6.530
&rst iat= -1, 1076, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1066, 1067, 1068, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1076, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 72 CYSS HA 109 ALA QB 1.800 6.530
&rst iat=1090, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1090, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1688, 1689, 1690, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG2 73 TYR HA 1.800 5.100
&rst iat= -1, 1102, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 970, 971, 972, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1102, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG1 73 TYR HA 1.800 4.760
&rst iat= -1, 1102, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 966, 967, 968, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1102, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL QG1 75 SER HA 1.800 4.730
&rst iat= -1, 1140, r1=1.300, r2=1.800, r3=4.730, r4= 5.230,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 866, 867, 868, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1140, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL QG2 75 SER HA 1.800 5.070
&rst iat= -1, 1140, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 870, 871, 872, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1140, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 77 SER HA 78 THR QG2 1.800 5.190
&rst iat=1173, -1, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1173, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1188, 1189, 1190, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 77 SER HB2 78 THR QG2 1.800 6.530
&rst iat=1175, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1175, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1188, 1189, 1190, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 78 THR HA 78 THR QG2 1.800 3.490
&rst iat=1184, -1, r1=1.300, r2=1.800, r3=3.490, r4= 3.990,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1184, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1188, 1189, 1190, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 78 THR QG2 78 THR HB 1.800 3.430
&rst iat= -1, 1186, r1=1.300, r2=1.800, r3=3.430, r4= 3.930,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1188, 1189, 1190, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1186, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 78 THR QG2 105 HIS+ HD2 1.800 6.530
&rst iat= -1, 1626, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1188, 1189, 1190, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1626, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 78 THR QG2 104 LYS+ HN 1.800 6.530
&rst iat= -1, 1590, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1188, 1189, 1190, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1590, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 78 THR QG2 79 MET HN 1.800 5.230
&rst iat= -1, 1196, r1=1.300, r2=1.800, r3=5.230, r4= 5.730,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1188, 1189, 1190, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1196, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 79 MET HG2 106 ILE QG2 1.800 6.530
&rst iat=1203, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1203, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1636, 1637, 1638, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 79 MET HG3 106 ILE QG2 1.800 6.090
&rst iat=1204, -1, r1=1.300, r2=1.800, r3=6.090, r4= 6.590,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1204, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1636, 1637, 1638, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 81 ILE QG2 81 ILE HB 1.800 3.920
&rst iat= -1, 1243, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1245, 1246, 1247, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1243, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 81 ILE QD1 81 ILE HG13 1.800 4.670
&rst iat= -1, 1250, r1=1.300, r2=1.800, r3=4.670, r4= 5.170,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1252, 1253, 1254, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1250, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 81 ILE QD1 81 ILE HG12 1.800 4.080
&rst iat= -1, 1249, r1=1.300, r2=1.800, r3=4.080, r4= 4.580,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1252, 1253, 1254, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1249, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 82 THR HA 82 THR QG2 1.800 4.360
&rst iat=1260, -1, r1=1.300, r2=1.800, r3=4.360, r4= 4.860,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1260, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1264, 1265, 1266, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 82 THR QG2 82 THR HB 1.800 4.080
&rst iat= -1, 1262, r1=1.300, r2=1.800, r3=4.080, r4= 4.580,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1264, 1265, 1266, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1262, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 83 ASP- HB2 100 THR QG2 1.800 6.160
&rst iat=1276, -1, r1=1.300, r2=1.800, r3=6.160, r4= 6.660,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1276, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1534, 1535, 1536, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 45 THR QG2 83 ASP- HB2 1.800 6.120
&rst iat= -1, 1276, r1=1.300, r2=1.800, r3=6.120, r4= 6.620,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 683, 684, 685, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1276, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 45 THR QG2 83 ASP- HB3 1.800 6.430
&rst iat= -1, 1277, r1=1.300, r2=1.800, r3=6.430, r4= 6.930,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 683, 684, 685, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1277, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 83 ASP- HB3 100 THR QG2 1.800 5.130
&rst iat=1277, -1, r1=1.300, r2=1.800, r3=5.130, r4= 5.630,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1277, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1534, 1535, 1536, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 43 VAL QG1 85 ARG+ HB3 1.800 6.530
&rst iat= -1, 1301, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 653, 654, 655, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1301, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 43 VAL QG1 85 ARG+ HB2 1.800 5.410
&rst iat= -1, 1300, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 653, 654, 655, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1300, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 43 VAL QG1 85 ARG+ HD2 1.800 5.440
&rst iat= -1, 1306, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 653, 654, 655, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1306, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 43 VAL QG1 85 ARG+ HD3 1.800 5.600
&rst iat= -1, 1307, r1=1.300, r2=1.800, r3=5.600, r4= 6.100,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 653, 654, 655, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1307, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 86 GLU- HA 87 THR QG2 1.800 6.530
&rst iat=1322, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1322, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1341, 1342, 1343, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 87 THR HA 87 THR QG2 1.800 4.300
&rst iat=1337, -1, r1=1.300, r2=1.800, r3=4.300, r4= 4.800,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1337, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1341, 1342, 1343, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 87 THR QG2 87 THR HB 1.800 3.610
&rst iat= -1, 1339, r1=1.300, r2=1.800, r3=3.610, r4= 4.110,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1341, 1342, 1343, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1339, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 90 SER HA 96 ALA QB 1.800 4.300
&rst iat=1369, -1, r1=1.300, r2=1.800, r3=4.300, r4= 4.800,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1369, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1465, 1466, 1467, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 90 SER HN 96 ALA QB 1.800 5.070
&rst iat=1367, -1, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1367, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1465, 1466, 1467, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 87 THR QG2 98 LYS+ HA 1.800 6.530
&rst iat= -1, 1494, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1341, 1342, 1343, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1494, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 99 THR HA 99 THR QG2 1.800 3.950
&rst iat=1516, -1, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1516, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1520, 1521, 1522, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 99 THR QG2 99 THR HB 1.800 3.950
&rst iat= -1, 1518, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1520, 1521, 1522, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1518, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 25 TYR HD1 99 THR QG2 1.800 5.040
&rst iat= 352, -1, r1=1.300, r2=1.800, r3=5.040, r4= 5.540,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 352, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1520, 1521, 1522, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 100 THR HA 100 THR QG2 1.800 3.430
&rst iat=1530, -1, r1=1.300, r2=1.800, r3=3.430, r4= 3.930,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1530, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1534, 1535, 1536, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 100 THR QG2 100 THR HB 1.800 3.710
&rst iat= -1, 1532, r1=1.300, r2=1.800, r3=3.710, r4= 4.210,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1534, 1535, 1536, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1532, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 100 THR HB 102 VAL QG1 1.800 5.940
&rst iat=1532, -1, r1=1.300, r2=1.800, r3=5.940, r4= 6.440,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1532, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1565, 1566, 1567, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 101 GLN HA 102 VAL QG1 1.800 6.530
&rst iat=1544, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1544, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1565, 1566, 1567, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 101 GLN HA 102 VAL QG2 1.800 6.530
&rst iat=1544, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1544, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1569, 1570, 1571, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 100 THR QG2 102 VAL HA 1.800 6.470
&rst iat= -1, 1561, r1=1.300, r2=1.800, r3=6.470, r4= 6.970,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1534, 1535, 1536, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1561, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 102 VAL HA 102 VAL QG1 1.800 4.050
&rst iat=1561, -1, r1=1.300, r2=1.800, r3=4.050, r4= 4.550,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1561, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1565, 1566, 1567, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 102 VAL HA 102 VAL QG2 1.800 4.510
&rst iat=1561, -1, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1561, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1569, 1570, 1571, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 102 VAL QG1 102 VAL QG2 1.800 4.640
&rst iat= -1, -1, r1=1.300, r2=1.800, r3=4.640, r4= 5.140,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1565, 1566, 1567, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1569, 1570, 1571, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 102 VAL HB 102 VAL QG2 1.800 4.110
&rst iat=1563, -1, r1=1.300, r2=1.800, r3=4.110, r4= 4.610,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1563, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1569, 1570, 1571, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 102 VAL HB 102 VAL QG1 1.800 4.020
&rst iat=1563, -1, r1=1.300, r2=1.800, r3=4.020, r4= 4.520,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1563, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1565, 1566, 1567, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 102 VAL QG1 104 LYS+ HE3 1.800 4.760
&rst iat= -1, 1604, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1565, 1566, 1567, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1604, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 102 VAL HN 102 VAL QG1 1.800 6.530
&rst iat=1559, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1559, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1565, 1566, 1567, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 102 VAL QG2 103 GLU- HA 1.800 5.290
&rst iat= -1, 1577, r1=1.300, r2=1.800, r3=5.290, r4= 5.790,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1569, 1570, 1571, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1577, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 104 LYS+ HB3 124 VAL QG2 1.800 4.790
&rst iat=1595, -1, r1=1.300, r2=1.800, r3=4.790, r4= 5.290,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1595, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1894, 1895, 1896, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 104 LYS+ HB3 106 ILE QG2 1.800 6.530
&rst iat=1595, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1595, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1636, 1637, 1638, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 104 LYS+ HB2 106 ILE QG2 1.800 6.530
&rst iat=1594, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1594, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1636, 1637, 1638, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 104 LYS+ HG2 124 VAL QG2 1.800 4.330
&rst iat=1597, -1, r1=1.300, r2=1.800, r3=4.330, r4= 4.830,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1597, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1894, 1895, 1896, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 104 LYS+ HE3 124 VAL QG2 1.800 4.420
&rst iat=1604, -1, r1=1.300, r2=1.800, r3=4.420, r4= 4.920,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1604, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1894, 1895, 1896, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 78 THR QG2 105 HIS+ HA 1.800 4.480
&rst iat= -1, 1614, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1188, 1189, 1190, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1614, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 106 ILE HA 106 ILE QG2 1.800 4.140
&rst iat=1632, -1, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1632, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1636, 1637, 1638, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 106 ILE HB 108 VAL QG1 1.800 5.070
&rst iat=1634, -1, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1634, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1674, 1675, 1676, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 106 ILE QG2 106 ILE HB 1.800 3.430
&rst iat= -1, 1634, r1=1.300, r2=1.800, r3=3.430, r4= 3.930,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1636, 1637, 1638, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1634, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 106 ILE QG2 106 ILE HG12 1.800 5.720
&rst iat= -1, 1640, r1=1.300, r2=1.800, r3=5.720, r4= 6.220,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1636, 1637, 1638, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1640, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 106 ILE QG2 120 PHE HE1 1.800 5.320
&rst iat= -1, 1841, r1=1.300, r2=1.800, r3=5.320, r4= 5.820,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1636, 1637, 1638, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1841, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 106 ILE HN 106 ILE QG2 1.800 6.530
&rst iat=1630, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1630, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1636, 1637, 1638, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG2 107 ILE HG12 1.800 5.850
&rst iat= -1, 1659, r1=1.300, r2=1.800, r3=5.850, r4= 6.350,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 970, 971, 972, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1659, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG2 107 ILE HG13 1.800 6.190
&rst iat= -1, 1660, r1=1.300, r2=1.800, r3=6.190, r4= 6.690,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 970, 971, 972, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1660, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 107 ILE HA 107 ILE QG2 1.800 5.190
&rst iat=1651, -1, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1651, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1655, 1656, 1657, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 72 CYSS HB3 107 ILE QG2 1.800 5.010
&rst iat=1093, -1, r1=1.300, r2=1.800, r3=5.010, r4= 5.510,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1093, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1655, 1656, 1657, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 63 VAL QG2 107 ILE QG2 1.800 7.370
&rst iat= -1, -1, r1=1.300, r2=1.800, r3=7.370, r4= 7.870,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 970, 971, 972, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1655, 1656, 1657, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 107 ILE QG2 107 ILE HG13 1.800 6.530
&rst iat= -1, 1660, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1655, 1656, 1657, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1660, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 107 ILE QG2 108 VAL HN 1.800 6.470
&rst iat= -1, 1668, r1=1.300, r2=1.800, r3=6.470, r4= 6.970,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1655, 1656, 1657, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1668, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL HA 108 VAL QG2 1.800 5.230
&rst iat=1670, -1, r1=1.300, r2=1.800, r3=5.230, r4= 5.730,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1670, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1678, 1679, 1680, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL HA 108 VAL QG1 1.800 4.510
&rst iat=1670, -1, r1=1.300, r2=1.800, r3=4.510, r4= 5.010,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1670, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1674, 1675, 1676, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 87 THR QG2 97 TYR HA 1.800 5.010
&rst iat= -1, 1473, r1=1.300, r2=1.800, r3=5.010, r4= 5.510,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1341, 1342, 1343, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1473, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL HA 109 ALA QB 1.800 5.880
&rst iat=1670, -1, r1=1.300, r2=1.800, r3=5.880, r4= 6.380,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1670, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1688, 1689, 1690, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL HB 109 ALA QB 1.800 6.530
&rst iat=1672, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1672, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1688, 1689, 1690, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 106 ILE QD1 108 VAL QG2 1.800 7.400
&rst iat= -1, -1, r1=1.300, r2=1.800, r3=7.400, r4= 7.900,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1643, 1644, 1645, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1678, 1679, 1680, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL HB 108 VAL QG2 1.800 4.700
&rst iat=1672, -1, r1=1.300, r2=1.800, r3=4.700, r4= 5.200,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1672, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1678, 1679, 1680, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL QG2 109 ALA HN 1.800 6.530
&rst iat= -1, 1684, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1678, 1679, 1680, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1684, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL HN 108 VAL QG2 1.800 4.950
&rst iat=1668, -1, r1=1.300, r2=1.800, r3=4.950, r4= 5.450,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1668, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1678, 1679, 1680, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL QG1 120 PHE HB2 1.800 4.850
&rst iat= -1, 1835, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1674, 1675, 1676, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1835, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL HB 108 VAL QG1 1.800 4.480
&rst iat=1672, -1, r1=1.300, r2=1.800, r3=4.480, r4= 4.980,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1672, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1674, 1675, 1676, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL QG1 120 PHE HA 1.800 4.760
&rst iat= -1, 1833, r1=1.300, r2=1.800, r3=4.760, r4= 5.260,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1674, 1675, 1676, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1833, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL QG1 120 PHE HD1 1.800 6.530
&rst iat= -1, 1839, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1674, 1675, 1676, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1839, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 8 PHE HE1 108 VAL QG1 1.800 5.630
&rst iat= 114, -1, r1=1.300, r2=1.800, r3=5.630, r4= 6.130,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 114, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1674, 1675, 1676, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 8 PHE HZ 108 VAL QG1 1.800 5.100
&rst iat= 116, -1, r1=1.300, r2=1.800, r3=5.100, r4= 5.600,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 116, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1674, 1675, 1676, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL QG1 109 ALA HN 1.800 6.530
&rst iat= -1, 1684, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1674, 1675, 1676, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1684, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL HN 108 VAL QG1 1.800 6.530
&rst iat=1668, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1668, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1674, 1675, 1676, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 109 ALA QB 109 ALA HA 1.800 4.110
&rst iat= -1, 1686, r1=1.300, r2=1.800, r3=4.110, r4= 4.610,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1688, 1689, 1690, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1686, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL QG2 109 ALA HA 1.800 5.410
&rst iat= -1, 1686, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1678, 1679, 1680, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1686, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL QG2 109 ALA QB 1.800 7.180
&rst iat= -1, -1, r1=1.300, r2=1.800, r3=7.180, r4= 7.680,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1678, 1679, 1680, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1688, 1689, 1690, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 8 PHE HE1 109 ALA QB 1.800 6.340
&rst iat= 114, -1, r1=1.300, r2=1.800, r3=6.340, r4= 6.840,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 114, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1688, 1689, 1690, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 109 ALA HN 109 ALA QB 1.800 5.010
&rst iat=1684, -1, r1=1.300, r2=1.800, r3=5.010, r4= 5.510,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1684, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1688, 1689, 1690, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 110 CYSS HA 118 VAL QG2 1.800 4.920
&rst iat=1696, -1, r1=1.300, r2=1.800, r3=4.920, r4= 5.420,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1696, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1807, 1808, 1809, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 110 CYSS HA 118 VAL QG1 1.800 5.690
&rst iat=1696, -1, r1=1.300, r2=1.800, r3=5.690, r4= 6.190,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1696, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1803, 1804, 1805, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 109 ALA QB 110 CYSS HA 1.800 6.530
&rst iat= -1, 1696, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1688, 1689, 1690, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1696, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 111 GLY HA1 118 VAL QG1 1.800 6.530
&rst iat=1708, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1708, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1803, 1804, 1805, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 111 GLY HA1 118 VAL QG2 1.800 5.880
&rst iat=1708, -1, r1=1.300, r2=1.800, r3=5.880, r4= 6.380,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1708, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1807, 1808, 1809, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 111 GLY HA2 118 VAL QG2 1.800 4.730
&rst iat=1709, -1, r1=1.300, r2=1.800, r3=4.730, r4= 5.230,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1709, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1807, 1808, 1809, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 111 GLY HA2 118 VAL QG1 1.800 5.380
&rst iat=1709, -1, r1=1.300, r2=1.800, r3=5.380, r4= 5.880,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1709, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1803, 1804, 1805, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 112 GLY HA2 118 VAL QG1 1.800 6.530
&rst iat=1716, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1716, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1803, 1804, 1805, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 114 PRO HB2 116 VAL QG1 1.800 4.850
&rst iat=1749, -1, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1749, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1773, 1774, 1775, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 114 PRO HD3 116 VAL QG1 1.800 6.530
&rst iat=1744, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1744, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1773, 1774, 1775, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 115 SER HA 116 VAL QG1 1.800 4.920
&rst iat=1758, -1, r1=1.300, r2=1.800, r3=4.920, r4= 5.420,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1758, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1773, 1774, 1775, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 116 VAL HA 116 VAL QG1 1.800 3.950
&rst iat=1769, -1, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1769, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1773, 1774, 1775, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 116 VAL HA 116 VAL QG2 1.800 6.500
&rst iat=1769, -1, r1=1.300, r2=1.800, r3=6.500, r4= 7.000,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1769, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1777, 1778, 1779, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 116 VAL HB 116 VAL QG2 1.800 4.850
&rst iat=1771, -1, r1=1.300, r2=1.800, r3=4.850, r4= 5.350,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1771, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1777, 1778, 1779, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 116 VAL HB 116 VAL QG1 1.800 3.860
&rst iat=1771, -1, r1=1.300, r2=1.800, r3=3.860, r4= 4.360,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1771, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1773, 1774, 1775, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 116 VAL QG1 116 VAL QG2 1.800 4.460
&rst iat= -1, -1, r1=1.300, r2=1.800, r3=4.460, r4= 4.960,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1773, 1774, 1775, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1777, 1778, 1779, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 116 VAL QG2 117 PRO HA 1.800 5.440
&rst iat= -1, 1793, r1=1.300, r2=1.800, r3=5.440, r4= 5.940,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1777, 1778, 1779, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1793, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL QG2 117 PRO HA 1.800 4.670
&rst iat= -1, 1793, r1=1.300, r2=1.800, r3=4.670, r4= 5.170,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1678, 1679, 1680, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1793, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL QG1 117 PRO HB3 1.800 6.030
&rst iat= -1, 1791, r1=1.300, r2=1.800, r3=6.030, r4= 6.530,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1674, 1675, 1676, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1791, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL QG1 117 PRO HB2 1.800 6.530
&rst iat= -1, 1790, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1674, 1675, 1676, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1790, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL QG2 117 PRO HB2 1.800 6.530
&rst iat= -1, 1790, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1678, 1679, 1680, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1790, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 108 VAL QG2 117 PRO HG2 1.800 4.950
&rst iat= -1, 1787, r1=1.300, r2=1.800, r3=4.950, r4= 5.450,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1678, 1679, 1680, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1787, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 116 VAL QG1 117 PRO HD3 1.800 5.070
&rst iat= -1, 1785, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1773, 1774, 1775, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1785, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 116 VAL QG1 117 PRO HD2 1.800 4.540
&rst iat= -1, 1784, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1773, 1774, 1775, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1784, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 118 VAL HA 118 VAL QG2 1.800 5.070
&rst iat=1799, -1, r1=1.300, r2=1.800, r3=5.070, r4= 5.570,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1799, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1807, 1808, 1809, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 4 ALA QB 118 VAL HB 1.800 4.670
&rst iat= -1, 1801, r1=1.300, r2=1.800, r3=4.670, r4= 5.170,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 56, 57, 58, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1801, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 118 VAL QG2 118 VAL HB 1.800 4.140
&rst iat= -1, 1801, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1807, 1808, 1809, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1801, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 118 VAL QG2 118 VAL QG1 1.800 6.070
&rst iat= -1, -1, r1=1.300, r2=1.800, r3=6.070, r4= 6.570,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1807, 1808, 1809, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1803, 1804, 1805, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 118 VAL HB 118 VAL QG1 1.800 3.950
&rst iat=1801, -1, r1=1.300, r2=1.800, r3=3.950, r4= 4.450,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1801, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1803, 1804, 1805, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 118 VAL HA 118 VAL QG1 1.800 3.920
&rst iat=1799, -1, r1=1.300, r2=1.800, r3=3.920, r4= 4.420,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1799, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1803, 1804, 1805, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 118 VAL HN 118 VAL QG1 1.800 6.470
&rst iat=1797, -1, r1=1.300, r2=1.800, r3=6.470, r4= 6.970,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1797, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1803, 1804, 1805, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 109 ALA QB 119 HIS+ HA 1.800 6.220
&rst iat= -1, 1815, r1=1.300, r2=1.800, r3=6.220, r4= 6.720,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1688, 1689, 1690, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1815, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 109 ALA QB 119 HIS+ HB2 1.800 4.820
&rst iat= -1, 1817, r1=1.300, r2=1.800, r3=4.820, r4= 5.320,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1688, 1689, 1690, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1817, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 109 ALA QB 119 HIS+ HB3 1.800 4.570
&rst iat= -1, 1818, r1=1.300, r2=1.800, r3=4.570, r4= 5.070,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1688, 1689, 1690, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1818, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 118 VAL QG2 119 HIS+ HB3 1.800 5.410
&rst iat= -1, 1818, r1=1.300, r2=1.800, r3=5.410, r4= 5.910,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1807, 1808, 1809, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1818, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 118 VAL QG2 119 HIS+ HB2 1.800 6.060
&rst iat= -1, 1817, r1=1.300, r2=1.800, r3=6.060, r4= 6.560,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1807, 1808, 1809, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1817, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 107 ILE QG2 121 ASP- HB3 1.800 4.640
&rst iat= -1, 1856, r1=1.300, r2=1.800, r3=4.640, r4= 5.140,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1655, 1656, 1657, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1856, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 107 ILE QG2 121 ASP- HB2 1.800 4.670
&rst iat= -1, 1855, r1=1.300, r2=1.800, r3=4.670, r4= 5.170,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1655, 1656, 1657, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1855, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 122 ALA QB 122 ALA HA 1.800 3.550
&rst iat= -1, 1865, r1=1.300, r2=1.800, r3=3.550, r4= 4.050,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1867, 1868, 1869, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1865, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 107 ILE HG12 122 ALA QB 1.800 5.190
&rst iat=1659, -1, r1=1.300, r2=1.800, r3=5.190, r4= 5.690,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1659, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1867, 1868, 1869, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 81 ILE QD1 123 SER HB3 1.800 4.540
&rst iat= -1, 1878, r1=1.300, r2=1.800, r3=4.540, r4= 5.040,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1252, 1253, 1254, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1878, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 81 ILE QD1 123 SER HB2 1.800 4.670
&rst iat= -1, 1877, r1=1.300, r2=1.800, r3=4.670, r4= 5.170,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1252, 1253, 1254, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1877, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 124 VAL HA 124 VAL QG1 1.800 4.200
&rst iat=1886, -1, r1=1.300, r2=1.800, r3=4.200, r4= 4.700,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1886, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1890, 1891, 1892, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 124 VAL QG1 124 VAL HB 1.800 3.990
&rst iat= -1, 1888, r1=1.300, r2=1.800, r3=3.990, r4= 4.490,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1890, 1891, 1892, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1888, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 105 HIS+ HB2 124 VAL QG1 1.800 5.290
&rst iat=1616, -1, r1=1.300, r2=1.800, r3=5.290, r4= 5.790,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1616, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1890, 1891, 1892, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 62 LYS+ HA 63 VAL QG2 1.800 6.530
&rst iat= 940, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 940, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 970, 971, 972, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 106 ILE QG2 123 SER HA 1.800 4.950
&rst iat= -1, 1875, r1=1.300, r2=1.800, r3=4.950, r4= 5.450,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1636, 1637, 1638, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1875, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 55 LYS+ HA 116 VAL QG1 1.800 6.530
&rst iat= 830, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 830, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1773, 1774, 1775, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 36 THR QG2 36 THR HB 1.800 3.710
&rst iat= -1, 543, r1=1.300, r2=1.800, r3=3.710, r4= 4.210,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 545, 546, 547, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 543, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 64 THR QG2 64 THR HB 1.800 3.890
&rst iat= -1, 980, r1=1.300, r2=1.800, r3=3.890, r4= 4.390,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 982, 983, 984, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 980, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 90 SER HB2 96 ALA QB 1.800 4.920
&rst iat=1371, -1, r1=1.300, r2=1.800, r3=4.920, r4= 5.420,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1371, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1465, 1466, 1467, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 13 MET QE 50 SER HB2 1.800 5.290
&rst iat= -1, 764, r1=1.300, r2=1.800, r3=5.290, r4= 5.790,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 211, 212, 213, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 764, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL QG1 75 SER HB2 1.800 4.260
&rst iat= -1, 1142, r1=1.300, r2=1.800, r3=4.260, r4= 4.760,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 866, 867, 868, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1142, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL QG2 75 SER HB2 1.800 4.700
&rst iat= -1, 1142, r1=1.300, r2=1.800, r3=4.700, r4= 5.200,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 870, 871, 872, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1142, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 57 VAL QG2 75 SER HB3 1.800 4.950
&rst iat= -1, 1143, r1=1.300, r2=1.800, r3=4.950, r4= 5.450,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 870, 871, 872, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1143, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 45 THR QG2 81 ILE HB 1.800 4.140
&rst iat= -1, 1243, r1=1.300, r2=1.800, r3=4.140, r4= 4.640,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 683, 684, 685, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1243, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 12 HIS+ HD2 45 THR QG2 1.800 6.470
&rst iat= 194, -1, r1=1.300, r2=1.800, r3=6.470, r4= 6.970,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 194, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 683, 684, 685, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 45 THR QG2 46 PHE HN 1.800 4.920
&rst iat= -1, 691, r1=1.300, r2=1.800, r3=4.920, r4= 5.420,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 683, 684, 685, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2= 691, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 82 THR QG2 99 THR HA 1.800 6.530
&rst iat= -1, 1516, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1=1264, 1265, 1266, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1516, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
# 25 TYR HE1 82 THR QG2 1.800 6.530
&rst iat= 354, -1, r1=1.300, r2=1.800, r3=6.530, r4= 7.030,
rk2=0.000, rk3= 16.000, ir6=0,
igr1= 354, 0, 0, 0, 0, 0,
0, 0, 0, 0, 0, 0,
igr2=1264, 1265, 1266, 0, 0, 0,
0, 0, 0, 0, 0, 0, &end
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