NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
489885 |
2ktf   |
cing | 1-original | 5 | AMBER | distance | NOE | ambi |
#
# 66 THR HN 65 SER HA 3.50 (# 0:25 Preassigned 2.15, 2.30 A)
&rst
ixpk= 0, nxpk= 25, iat=1047,1038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 65 SER HN 65 SER HA 3.50 (# 1:25 Preassigned 2.94, 2.94 A)
&rst
ixpk= 1, nxpk= 25, iat=1036,1038, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 SER HB+ 65 SER HA 3.50 (# 2:25 Preassigned 2.76, 2.85 A)
&rst
ixpk= 2, nxpk= 25, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1040,1041,
&end
#
# 65 SER HB- 65 SER HA 3.50 (# 3:25 Preassigned 2.76, 2.85 A)
&rst
ixpk= 3, nxpk= 25, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1040,1041,
&end
#
# 71 LEU HN 70 VAL HA 3.50 (# 4:25 Preassigned 2.38, 2.43 A)
&rst
ixpk= 4, nxpk= 25, iat=1132,1118, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 VAL QG- 70 VAL HA 3.50 (# 5:25 Preassigned 2.06, 3.18 A)
&rst
ixpk= 5, nxpk= 25, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1122,1123,1124,1126,1127,1128,
&end
#
# 0 AMB 25-3:6 70 VAL HA 3.50 (# 6:25 Single Ambig)
&rst
ixpk= 6, nxpk= 25, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1122,1123,1124,1126,1127,1128,1106,1107,1108,1110,
1111,1112,
&end
#
# 14 THR HN 13 ILE HA 2.80 (# 7:25 Preassigned 2.15, 2.17 A)
&rst
ixpk= 7, nxpk= 25, iat= 224, 207, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 13 ILE HG1- 13 ILE HA 3.50 (# 8:25 Unique 2.66, 3.05 A)
&rst
ixpk= 8, nxpk= 25, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 215, 216,
&end
#
# 13 ILE QG2 13 ILE HA 3.50 (# 9:25 Preassigned 3.57, 3.85 A)
&rst
ixpk= 9, nxpk= 25, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 211, 212, 213,
&end
#
# 0 AMB 25-3:10 13 ILE HA 5.50 (# 10:25 Single Ambig)
&rst
ixpk= 10, nxpk= 25, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 218, 219, 220, 83, 84, 85, 87, 88, 89, 83,
84, 85, 87, 88, 89,
&end
#
# 29 LYS HN 29 LYS HA 3.50 (# 11:25 Preassigned 2.78, 2.79 A)
&rst
ixpk= 11, nxpk= 25, iat= 450, 452, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 ASP HB+ 29 LYS HA 3.50 (# 12:25 Preassigned 2.98, 3.54 A)
&rst
ixpk= 12, nxpk= 25, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 512, 513,
&end
#
# 29 LYS HB+ 29 LYS HA 5.50 (# 13:25 Preassigned 2.36, 2.69 A)
&rst
ixpk= 13, nxpk= 25, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 454, 455,
&end
#
# 29 LYS HB- 29 LYS HA 3.50 (# 14:25 Preassigned 2.36, 2.69 A)
&rst
ixpk= 14, nxpk= 25, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 454, 455,
&end
#
# 0 AMB 25-3:15 0 AMB 25-1:15 3.50 (# 15:25 Double Ambig)
&rst
ixpk= 15, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 42, 457, 458, 460, 461,
igr2= 40, 452,
&end
#
# 0 AMB 25-3:16 29 LYS HA 3.50 (# 16:25 Single Ambig)
&rst
ixpk= 16, nxpk= 25, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 457, 458, 444, 445, 446, 527, 528,
&end
#
# 4 PHE HN 3 ILE HA 3.50 (# 17:25 Preassigned 2.23, 2.26 A)
&rst
ixpk= 17, nxpk= 25, iat= 57, 40, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ILE HB 3 ILE HA 3.50 (# 18:25 Preassigned 2.66, 2.67 A)
&rst
ixpk= 18, nxpk= 25, iat= 42, 40, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ILE QG2 3 ILE HA 3.50 (# 19:25 Preassigned 2.00, 2.83 A)
&rst
ixpk= 19, nxpk= 25, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 44, 45, 46,
&end
#
# 0 AMB 25-3:20 37 PRO HA 3.50 (# 20:25 Single Ambig)
&rst
ixpk= 20, nxpk= 25, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 498, 499, 495, 496,
&end
#
# 37 PRO HB+ 37 PRO HA 4.50 (# 21:25 Preassigned 2.30, 2.51 A)
&rst
ixpk= 21, nxpk= 25, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 590, 591,
&end
#
# 0 AMB 25-3:22 37 PRO HA 3.50 (# 22:25 Single Ambig)
&rst
ixpk= 22, nxpk= 25, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 598, 599, 598, 599,
&end
#
# 57 SER HB- 57 SER HA 3.50 (# 23:25 Preassigned 2.44, 2.72 A)
&rst
ixpk= 23, nxpk= 25, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 909, 910,
&end
#
# 57 SER HB+ 57 SER HA 3.50 (# 24:25 Preassigned 2.44, 2.72 A)
&rst
ixpk= 24, nxpk= 25, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 909, 910,
&end
#
# 57 SER HN 57 SER HA 3.50 (# 25:25 Preassigned 2.79, 2.80 A)
&rst
ixpk= 25, nxpk= 25, iat= 905, 907, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ILE HG1- 27 LYS HA 3.50 (# 26:25 Unique 2.10, 2.81 A)
&rst
ixpk= 26, nxpk= 25, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 482, 483,
&end
#
# 30 ILE QD1 27 LYS HA 3.50 (# 27:25 Preassigned 4.19, 4.68 A)
&rst
ixpk= 27, nxpk= 25, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 485, 486, 487,
&end
#
# 0 AMB 25-3:28 27 LYS HA 3.50 (# 28:25 Single Ambig)
&rst
ixpk= 28, nxpk= 25, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 425, 426, 422, 423,
&end
#
# 0 AMB 25-3:29 27 LYS HA 3.50 (# 29:25 Single Ambig)
&rst
ixpk= 29, nxpk= 25, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 482, 483, 422, 423,
&end
#
# 27 LYS HN 27 LYS HA 4.50 (# 30:25 Preassigned 2.76, 2.77 A)
&rst
ixpk= 30, nxpk= 25, iat= 418, 420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:31 59 TYR HA 2.80 (# 31:25 Single Ambig)
&rst
ixpk= 31, nxpk= 25, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 945, 928,
&end
#
# 59 TYR HB- 59 TYR HA 3.50 (# 32:25 Preassigned 2.50, 2.77 A)
&rst
ixpk= 32, nxpk= 25, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 932, 933,
&end
#
# 18 GLU HN 17 VAL HA 3.50 (# 33:25 Preassigned 2.73, 2.74 A)
&rst
ixpk= 33, nxpk= 25, iat= 288, 274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 VAL HB 17 VAL HA 3.50 (# 34:25 Preassigned 2.67, 2.70 A)
&rst
ixpk= 34, nxpk= 25, iat= 276, 274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 VAL QG- 17 VAL HA 3.50 (# 35:25 Preassigned 2.37, 3.32 A)
&rst
ixpk= 35, nxpk= 25, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 17 VAL QG+ 17 VAL HA 4.50 (# 36:25 Preassigned 2.37, 3.32 A)
&rst
ixpk= 36, nxpk= 25, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 36 ILE QG2 36 ILE HA 3.50 (# 37:25 Preassigned 2.65, 3.08 A)
&rst
ixpk= 37, nxpk= 25, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 570, 571, 572,
&end
#
# 0 AMB 25-3:38 36 ILE HA 3.50 (# 38:25 Single Ambig)
&rst
ixpk= 38, nxpk= 25, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 574, 575, 568,
&end
#
# 37 PRO HD- 36 ILE HA 3.50 (# 39:25 Preassigned 2.07, 2.17 A)
&rst
ixpk= 39, nxpk= 25, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 584, 585,
&end
#
# 37 PRO HD+ 36 ILE HA 3.50 (# 40:25 Preassigned 2.07, 2.17 A)
&rst
ixpk= 40, nxpk= 25, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 584, 585,
&end
#
# 0 AMB 25-3:41 33 LYS HA 3.50 (# 41:25 Single Ambig)
&rst
ixpk= 41, nxpk= 25, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 527, 528, 527, 528,
&end
#
# 0 AMB 25-3:42 33 LYS HA 3.50 (# 42:25 Single Ambig)
&rst
ixpk= 42, nxpk= 25, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 530, 531, 530, 531,
&end
#
# 33 LYS HB- 33 LYS HA 3.50 (# 43:25 Preassigned 2.40, 2.72 A)
&rst
ixpk= 43, nxpk= 25, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 524, 525,
&end
#
# 33 LYS HB+ 33 LYS HA 3.50 (# 44:25 Preassigned 2.40, 2.72 A)
&rst
ixpk= 44, nxpk= 25, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 524, 525,
&end
#
# 33 LYS HN 33 LYS HA 3.50 (# 45:25 Preassigned 2.94, 2.94 A)
&rst
ixpk= 45, nxpk= 25, iat= 520, 522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 THR QG2 20 SER HA 3.50 (# 46:25 Preassigned 3.60, 4.36 A)
&rst
ixpk= 46, nxpk= 25, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 878, 879, 880,
&end
#
# 20 SER HB- 20 SER HA 2.80 (# 47:25 Preassigned 2.24, 2.51 A)
&rst
ixpk= 47, nxpk= 25, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 321, 322,
&end
#
# 20 SER HB+ 20 SER HA 2.80 (# 48:25 Preassigned 2.24, 2.51 A)
&rst
ixpk= 48, nxpk= 25, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 321, 322,
&end
#
# 55 THR HB 20 SER HA 3.50 (# 49:25 Preassigned 2.95, 2.98 A)
&rst
ixpk= 49, nxpk= 25, iat= 876, 319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 SER HN 20 SER HA 4.50 (# 50:25 Preassigned 2.93, 2.94 A)
&rst
ixpk= 50, nxpk= 25, iat= 317, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 ASP HB- 32 ASP HA 3.50 (# 51:25 Preassigned 2.77, 2.85 A)
&rst
ixpk= 51, nxpk= 25, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 512, 513,
&end
#
# 32 ASP HB+ 32 ASP HA 3.50 (# 52:25 Preassigned 2.77, 2.85 A)
&rst
ixpk= 52, nxpk= 25, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 512, 513,
&end
#
# 32 ASP HN 32 ASP HA 3.50 (# 53:25 Preassigned 2.89, 2.89 A)
&rst
ixpk= 53, nxpk= 25, iat= 508, 510, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 ASP HB- 58 ASP HA 3.50 (# 54:25 Preassigned 2.53, 2.82 A)
&rst
ixpk= 54, nxpk= 25, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 920, 921,
&end
#
# 58 ASP HB+ 58 ASP HA 3.50 (# 55:25 Preassigned 2.53, 2.82 A)
&rst
ixpk= 55, nxpk= 25, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 920, 921,
&end
#
# 58 ASP HN 58 ASP HA 4.50 (# 56:25 Preassigned 2.83, 2.84 A)
&rst
ixpk= 56, nxpk= 25, iat= 916, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 ILE QG2 52 ASP HA 4.50 (# 57:25 Preassigned 2.71, 3.58 A)
&rst
ixpk= 57, nxpk= 25, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 360, 361, 362,
&end
#
# 0 AMB 25-3:58 52 ASP HA 3.50 (# 58:25 Single Ambig)
&rst
ixpk= 58, nxpk= 25, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 358, 833, 834,
&end
#
# 11 LYS HG+ 11 LYS HA 4.50 (# 59:25 Preassigned 2.79, 3.71 A)
&rst
ixpk= 59, nxpk= 25, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 176, 177,
&end
#
# 11 LYS HB+ 11 LYS HA 3.50 (# 60:25 Preassigned 2.23, 2.54 A)
&rst
ixpk= 60, nxpk= 25, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 173, 174,
&end
#
# 11 LYS HN 11 LYS HA 4.50 (# 61:25 Preassigned 2.92, 2.93 A)
&rst
ixpk= 61, nxpk= 25, iat= 169, 171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 THR HN 11 LYS HA 3.50 (# 62:25 Preassigned 2.21, 2.31 A)
&rst
ixpk= 62, nxpk= 25, iat= 191, 171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 VAL QG- 8 LEU HA 4.50 (# 63:25 Preassigned 4.86, 7.26 A)
&rst
ixpk= 63, nxpk= 25, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1122,1123,1124,1126,1127,1128,
&end
#
# 8 LEU QD+ 8 LEU HA 3.50 (# 64:25 Preassigned 1.87, 3.53 A)
&rst
ixpk= 64, nxpk= 25, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 8 LEU QD- 8 LEU HA 4.50 (# 65:25 Preassigned 1.87, 3.53 A)
&rst
ixpk= 65, nxpk= 25, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:66 8 LEU HA 3.50 (# 66:25 Single Ambig)
&rst
ixpk= 66, nxpk= 25, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 133, 134, 133, 134,
&end
#
# 0 AMB 25-3:68 0 AMB 25-1:68 3.50 (# 68:25 Double Ambig)
&rst
ixpk= 68, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1218,1151,
igr2=1196,1153,
&end
#
# 28 ALA QB 25 ASN HA 3.50 (# 71:25 Preassigned 2.91, 3.91 A)
&rst
ixpk= 71, nxpk= 25, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 444, 445, 446,
&end
#
# 25 ASN HB- 25 ASN HA 3.50 (# 72:25 Preassigned 2.25, 2.49 A)
&rst
ixpk= 72, nxpk= 25, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 392, 393,
&end
#
# 25 ASN HB+ 25 ASN HA 3.50 (# 73:25 Preassigned 2.25, 2.49 A)
&rst
ixpk= 73, nxpk= 25, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 392, 393,
&end
#
# 25 ASN HD2- 25 ASN HA 4.50 (# 74:25 Unique 3.93, 4.51 A)
&rst
ixpk= 74, nxpk= 25, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 397, 398,
&end
#
# 0 AMB 25-3:75 25 ASN HA 3.50 (# 75:25 Single Ambig)
&rst
ixpk= 75, nxpk= 25, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 388, 440,
&end
#
# 39 ASP HB- 39 ASP HA 3.50 (# 76:25 Preassigned 2.36, 2.70 A)
&rst
ixpk= 76, nxpk= 25, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 615, 616,
&end
#
# 39 ASP HB+ 39 ASP HA 2.80 (# 77:25 Preassigned 2.36, 2.70 A)
&rst
ixpk= 77, nxpk= 25, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 615, 616,
&end
#
# 0 AMB 25-3:78 0 AMB 25-1:78 3.50 (# 78:25 Double Ambig)
&rst
ixpk= 78, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 611,1175,1151,
igr2= 613, 625,
&end
#
# 0 AMB 25-3:79 40 GLN HA 4.50 (# 79:25 Single Ambig)
&rst
ixpk= 79, nxpk= 25, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1198,1199,1201,1202,1201,1202,
&end
#
# 0 AMB 25-3:80 40 GLN HA 3.50 (# 80:25 Single Ambig)
&rst
ixpk= 80, nxpk= 25, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1155,1156, 627, 628,
&end
#
# 0 AMB 25-3:81 40 GLN HA 2.80 (# 81:25 Single Ambig)
&rst
ixpk= 81, nxpk= 25, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 630, 631, 630, 631,
&end
#
# 40 GLN HN 0 AMB 25-1:82 3.50 (# 82:25 Single Ambig)
&rst
ixpk= 82, nxpk= 25, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 625, 613,
&end
#
# 0 AMB 25-3:83 51 GLU HA 4.50 (# 83:25 Single Ambig)
&rst
ixpk= 83, nxpk= 25, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 852, 853, 782, 783, 377, 378,
&end
#
# 51 GLU HB+ 51 GLU HA 3.50 (# 84:25 Preassigned 2.31, 2.46 A)
&rst
ixpk= 84, nxpk= 25, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 818, 819,
&end
#
# 51 GLU HG- 51 GLU HA 3.50 (# 85:25 Preassigned 3.49, 3.71 A)
&rst
ixpk= 85, nxpk= 25, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 821, 822,
&end
#
# 52 ASP HN 51 GLU HA 2.80 (# 86:25 Preassigned 2.19, 2.20 A)
&rst
ixpk= 86, nxpk= 25, iat= 829, 816, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 ILE QD1 49 GLN HA 4.50 (# 87:25 Preassigned 4.20, 4.89 A)
&rst
ixpk= 87, nxpk= 25, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 713, 714, 715,
&end
#
# 49 GLN HB- 49 GLN HA 3.50 (# 88:25 Preassigned 2.36, 2.80 A)
&rst
ixpk= 88, nxpk= 25, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 782, 783,
&end
#
# 0 AMB 25-3:89 49 GLN HA 4.50 (# 89:25 Single Ambig)
&rst
ixpk= 89, nxpk= 25, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 785, 786, 785, 786,
&end
#
# 44 ILE HA 49 GLN HA 4.50 (# 90:25 Preassigned 1.93, 2.06 A)
&rst
ixpk= 90, nxpk= 25, iat= 702, 780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 LEU HN 49 GLN HA 3.50 (# 91:25 Preassigned 2.14, 2.20 A)
&rst
ixpk= 91, nxpk= 25, iat= 795, 780, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 ASP HB+ 21 ASP HA 4.50 (# 92:25 Preassigned 2.34, 2.74 A)
&rst
ixpk= 92, nxpk= 25, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 332, 333,
&end
#
# 21 ASP HB- 21 ASP HA 3.50 (# 93:25 Preassigned 2.34, 2.74 A)
&rst
ixpk= 93, nxpk= 25, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 332, 333,
&end
#
# 22 THR HN 21 ASP HA 2.80 (# 94:25 Preassigned 2.17, 2.18 A)
&rst
ixpk= 94, nxpk= 25, iat= 340, 330, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 21 ASP HN 21 ASP HA 4.50 (# 95:25 Preassigned 2.87, 2.88 A)
&rst
ixpk= 95, nxpk= 25, iat= 328, 330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ALA HN 28 ALA HA 3.50 (# 96:25 Preassigned 2.75, 2.76 A)
&rst
ixpk= 96, nxpk= 25, iat= 440, 442, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 GLN HB+ 28 ALA HA 4.50 (# 97:25 Preassigned 2.96, 3.20 A)
&rst
ixpk= 97, nxpk= 25, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 495, 496,
&end
#
# 0 AMB 25-3:102 42 ARG HA 3.50 (# 102:25 Single Ambig)
&rst
ixpk= 102, nxpk= 25, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 664, 665, 664, 665,
&end
#
# 42 ARG HB- 42 ARG HA 3.50 (# 103:25 Preassigned 2.26, 2.75 A)
&rst
ixpk= 103, nxpk= 25, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 661, 662,
&end
#
# 42 ARG HB+ 42 ARG HA 3.50 (# 104:25 Preassigned 2.26, 2.75 A)
&rst
ixpk= 104, nxpk= 25, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 661, 662,
&end
#
# 43 LEU HN 42 ARG HA 3.50 (# 105:25 Preassigned 2.18, 2.28 A)
&rst
ixpk= 105, nxpk= 25, iat= 681, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 GLU HB- 34 GLU HA 3.50 (# 106:25 Preassigned 2.48, 2.76 A)
&rst
ixpk= 106, nxpk= 25, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 546, 547,
&end
#
# 34 GLU HG+ 34 GLU HA 3.50 (# 107:25 Preassigned 3.24, 3.46 A)
&rst
ixpk= 107, nxpk= 25, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 549, 550,
&end
#
# 34 GLU HG- 34 GLU HA 4.50 (# 108:25 Preassigned 3.24, 3.46 A)
&rst
ixpk= 108, nxpk= 25, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 549, 550,
&end
#
# 34 GLU HB+ 34 GLU HA 3.50 (# 109:25 Preassigned 2.48, 2.76 A)
&rst
ixpk= 109, nxpk= 25, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 546, 547,
&end
#
# 34 GLU HN 34 GLU HA 4.50 (# 110:25 Preassigned 2.95, 2.95 A)
&rst
ixpk= 110, nxpk= 25, iat= 542, 544, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:111 48 LYS HA 3.50 (# 111:25 Single Ambig)
&rst
ixpk= 111, nxpk= 25, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 763, 764, 763, 764,
&end
#
# 0 AMB 25-3:112 48 LYS HA 2.80 (# 112:25 Single Ambig)
&rst
ixpk= 112, nxpk= 25, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 766, 767, 766, 767, 760, 761, 760, 761,
&end
#
# 48 LYS HN 48 LYS HA 4.50 (# 113:25 Preassigned 2.92, 2.94 A)
&rst
ixpk= 113, nxpk= 25, iat= 756, 758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 GLN HN 48 LYS HA 2.80 (# 114:25 Preassigned 2.15, 2.29 A)
&rst
ixpk= 114, nxpk= 25, iat= 778, 758, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 54 ARG HG- 54 ARG HA 4.50 (# 115:25 Preassigned 2.37, 3.07 A)
&rst
ixpk= 115, nxpk= 25, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 855, 856,
&end
#
# 54 ARG HB- 54 ARG HA 4.50 (# 116:25 Preassigned 2.53, 2.78 A)
&rst
ixpk= 116, nxpk= 25, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 852, 853,
&end
#
# 54 ARG HB+ 54 ARG HA 4.50 (# 117:25 Preassigned 2.53, 2.78 A)
&rst
ixpk= 117, nxpk= 25, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 852, 853,
&end
#
# 55 THR HN 54 ARG HA 3.50 (# 118:25 Preassigned 2.54, 2.56 A)
&rst
ixpk= 118, nxpk= 25, iat= 872, 850, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 ASN HB- 60 ASN HA 3.50 (# 119:25 Preassigned 2.24, 2.81 A)
&rst
ixpk= 119, nxpk= 25, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 953, 954,
&end
#
# 60 ASN HB+ 60 ASN HA 3.50 (# 120:25 Preassigned 2.24, 2.81 A)
&rst
ixpk= 120, nxpk= 25, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 953, 954,
&end
#
# 61 ILE HN 60 ASN HA 3.50 (# 121:25 Preassigned 2.86, 3.04 A)
&rst
ixpk= 121, nxpk= 25, iat= 963, 951, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 ASN HN 60 ASN HA 2.80 (# 122:25 Preassigned 2.28, 2.28 A)
&rst
ixpk= 122, nxpk= 25, iat= 949, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-3:123 1 MET HA 3.50 (# 123:25 Single Ambig)
&rst
ixpk= 123, nxpk= 25, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 8, 9, 8, 9,
&end
#
# 2 GLN HN 1 MET HA 3.50 (# 124:25 Preassigned 2.57, 2.60 A)
&rst
ixpk= 124, nxpk= 25, iat= 21, 6, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 LYS HN 62 GLN HA 3.50 (# 125:25 Preassigned 2.29, 2.31 A)
&rst
ixpk= 125, nxpk= 25, iat= 999, 984, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 GLN HN 62 GLN HA 3.50 (# 126:25 Preassigned 2.94, 2.94 A)
&rst
ixpk= 126, nxpk= 25, iat= 982, 984, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 GLN HG- 62 GLN HA 2.80 (# 127:25 Preassigned 2.62, 3.21 A)
&rst
ixpk= 127, nxpk= 25, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 989, 990,
&end
#
# 0 AMB 25-3:128 62 GLN HA 3.50 (# 128:25 Single Ambig)
&rst
ixpk= 128, nxpk= 25, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 986, 987, 986, 987,
&end
#
# 1 MET QE 62 GLN HA 4.50 (# 129:25 Preassigned 3.23, 4.35 A)
&rst
ixpk= 129, nxpk= 25, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 15, 16, 17,
&end
#
# 0 AMB 25-3:130 15 LEU HA 3.50 (# 130:25 Single Ambig)
&rst
ixpk= 130, nxpk= 25, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
252, 253, 218, 219, 220, 278, 279, 280, 282, 283,
284,
&end
#
# 15 LEU HB+ 15 LEU HA 4.50 (# 131:25 Preassigned 2.30, 2.44 A)
&rst
ixpk= 131, nxpk= 25, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 242, 243,
&end
#
# 16 GLU HN 15 LEU HA 3.50 (# 132:25 Preassigned 2.17, 2.18 A)
&rst
ixpk= 132, nxpk= 25, iat= 257, 240, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 PRO HG+ 37 PRO HD+ 3.50 (# 133:25 Preassigned 2.30, 2.58 A)
&rst
ixpk= 133, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 587, 588,
igr2= 584, 585,
&end
#
# 36 ILE HA 37 PRO HD+ 3.50 (# 134:25 Preassigned 2.07, 2.17 A)
&rst
ixpk= 134, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 584, 585,
&end
#
# 35 GLY HN 35 GLY HA- 3.50 (# 135:25 Preassigned 2.37, 2.66 A)
&rst
ixpk= 135, nxpk= 25, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 559, 560,
&end
#
# 47 GLY HN 47 GLY HA- 3.50 (# 136:25 Preassigned 2.30, 2.59 A)
&rst
ixpk= 136, nxpk= 25, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 751, 752,
&end
#
# 8 LEU HA 10 GLY HA- 5.50 (# 137:25 Unique 4.92, 5.64 A)
&rst
ixpk= 137, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 164, 165,
&end
#
# 10 GLY HN 10 GLY HA- 3.50 (# 138:25 Preassigned 2.39, 2.68 A)
&rst
ixpk= 138, nxpk= 25, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 164, 165,
&end
#
# 56 LEU HN 55 THR HB 3.50 (# 139:25 Preassigned 2.41, 2.48 A)
&rst
ixpk= 139, nxpk= 25, iat= 886, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 THR HA 55 THR HB 3.50 (# 140:25 Preassigned 2.55, 2.57 A)
&rst
ixpk= 140, nxpk= 25, iat= 874, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 THR QG2 55 THR HB 3.50 (# 141:25 Preassigned 2.27, 2.64 A)
&rst
ixpk= 141, nxpk= 25, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 878, 879, 880,
&end
#
# 9 THR QG2 9 THR HB 3.50 (# 142:25 Preassigned 2.30, 2.64 A)
&rst
ixpk= 142, nxpk= 25, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 154, 155, 156,
&end
#
# 9 THR HA 9 THR HB 3.50 (# 143:25 Preassigned 2.99, 3.00 A)
&rst
ixpk= 143, nxpk= 25, iat= 150, 152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:144 38 PRO HA 3.50 (# 144:25 Single Ambig)
&rst
ixpk= 144, nxpk= 25, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 425, 426, 428, 429,
&end
#
# 0 AMB 25-3:145 38 PRO HA 3.50 (# 145:25 Single Ambig)
&rst
ixpk= 145, nxpk= 25, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 604, 605, 422, 423,
&end
#
# 38 PRO HB+ 38 PRO HA 3.50 (# 146:25 Preassigned 2.30, 2.51 A)
&rst
ixpk= 146, nxpk= 25, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 604, 605,
&end
#
# 20 SER HA 20 SER HB+ 3.50 (# 147:25 Preassigned 2.24, 2.51 A)
&rst
ixpk= 147, nxpk= 25, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 321, 322,
&end
#
# 0 AMB 25-3:148 24 GLU HA 3.50 (# 148:25 Single Ambig)
&rst
ixpk= 148, nxpk= 25, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 377, 378, 377, 378,
&end
#
# 0 AMB 25-3:149 24 GLU HA 3.50 (# 149:25 Single Ambig)
&rst
ixpk= 149, nxpk= 25, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 380, 381, 380, 381,
&end
#
# 31 GLN HB- 31 GLN HA 3.50 (# 150:25 Preassigned 2.44, 2.74 A)
&rst
ixpk= 150, nxpk= 25, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 495, 496,
&end
#
# 31 GLN HG- 31 GLN HA 3.50 (# 151:25 Preassigned 2.50, 2.87 A)
&rst
ixpk= 151, nxpk= 25, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 498, 499,
&end
#
# 36 ILE HN 31 GLN HA 3.50 (# 152:25 Preassigned 2.00, 2.03 A)
&rst
ixpk= 152, nxpk= 25, iat= 564, 493, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:153 31 GLN HA 3.50 (# 153:25 Single Ambig)
&rst
ixpk= 153, nxpk= 25, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 557, 491,
&end
#
# 61 ILE QD1 56 LEU HA 3.50 (# 154:25 Preassigned 1.92, 2.80 A)
&rst
ixpk= 154, nxpk= 25, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 976, 977, 978,
&end
#
# 56 LEU QD+ 56 LEU HA 3.50 (# 155:25 Unique 1.93, 3.64 A)
&rst
ixpk= 155, nxpk= 25, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 25-3:156 63 LYS HA 4.50 (# 156:25 Single Ambig)
&rst
ixpk= 156, nxpk= 25, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1006,1007,1006,1007,
&end
#
# 63 LYS HB+ 63 LYS HA 3.50 (# 157:25 Preassigned 2.27, 2.60 A)
&rst
ixpk= 157, nxpk= 25, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1003,1004,
&end
#
# 63 LYS HN 63 LYS HA 3.50 (# 159:25 Preassigned 2.27, 2.27 A)
&rst
ixpk= 159, nxpk= 25, iat= 999,1001, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:160 41 GLN HA 3.50 (# 160:25 Single Ambig)
&rst
ixpk= 160, nxpk= 25, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1141,1142,1143,1145,1146,1147,1106,1107,1108,1110,
1111,1112,
&end
#
# 42 ARG HN 41 GLN HA 3.50 (# 161:25 Preassigned 2.17, 2.18 A)
&rst
ixpk= 161, nxpk= 25, iat= 657, 642, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 LEU QD- 50 LEU HA 3.50 (# 162:25 Preassigned 2.04, 4.02 A)
&rst
ixpk= 162, nxpk= 25, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 804, 805, 806, 808, 809, 810,
&end
#
# 0 AMB 25-3:163 50 LEU HA 3.50 (# 163:25 Single Ambig)
&rst
ixpk= 163, nxpk= 25, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 799, 800, 802,
&end
#
# 51 GLU HN 50 LEU HA 3.50 (# 164:25 Preassigned 2.39, 2.46 A)
&rst
ixpk= 164, nxpk= 25, iat= 814, 797, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 ALA HN 46 ALA HA 3.50 (# 165:25 Preassigned 2.28, 2.28 A)
&rst
ixpk= 165, nxpk= 25, iat= 739, 741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 GLY HN 46 ALA HA 3.50 (# 166:25 Preassigned 2.67, 2.71 A)
&rst
ixpk= 166, nxpk= 25, iat= 749, 741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 ALA QB 46 ALA HA 2.80 (# 167:25 Preassigned 2.28, 2.63 A)
&rst
ixpk= 167, nxpk= 25, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 743, 744, 745,
&end
#
# 38 PRO HG- 0 AMB 25-1:168 3.50 (# 168:25 Single Ambig)
&rst
ixpk= 168, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 601, 602,
igr2= 598, 599, 598, 599,
&end
#
# 0 AMB 25-3:169 0 AMB 25-1:169 3.50 (# 169:25 Double Ambig)
&rst
ixpk= 169, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 495, 496, 498, 499, 498, 499,
igr2= 598, 599, 598, 599, 598, 599,
&end
#
# 0 AMB 25-3:170 0 AMB 25-1:170 3.50 (# 170:25 Double Ambig)
&rst
ixpk= 170, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 601, 602, 601, 602, 604, 605,
igr2= 598, 599, 598, 599,
&end
#
# 0 AMB 25-3:171 0 AMB 25-1:171 3.50 (# 171:25 Double Ambig)
&rst
ixpk= 171, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 590, 591, 590, 591,
igr2= 598, 599, 598, 599,
&end
#
# 37 PRO HA 0 AMB 25-1:172 2.80 (# 172:25 Single Ambig)
&rst
ixpk= 172, nxpk= 25, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 598, 599, 598, 599,
&end
#
# 36 ILE QG2 37 PRO HD- 3.50 (# 173:25 Preassigned 2.07, 3.50 A)
&rst
ixpk= 173, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 570, 571, 572,
igr2= 584, 585,
&end
#
# 37 PRO HG+ 37 PRO HD- 3.50 (# 174:25 Preassigned 2.30, 2.58 A)
&rst
ixpk= 174, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 587, 588,
igr2= 584, 585,
&end
#
# 36 ILE HA 37 PRO HD- 3.50 (# 175:25 Preassigned 2.07, 2.17 A)
&rst
ixpk= 175, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 584, 585,
&end
#
# 19 PRO HG- 19 PRO HD- 3.50 (# 176:25 Preassigned 2.30, 2.58 A)
&rst
ixpk= 176, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 307, 308,
igr2= 304, 305,
&end
#
# 19 PRO HG+ 19 PRO HD- 3.50 (# 177:25 Preassigned 2.30, 2.58 A)
&rst
ixpk= 177, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 307, 308,
igr2= 304, 305,
&end
#
# 18 GLU HA 19 PRO HD- 3.50 (# 178:25 Preassigned 2.26, 2.30 A)
&rst
ixpk= 178, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 304, 305,
&end
#
# 18 GLU HA 19 PRO HD+ 3.50 (# 179:25 Preassigned 2.26, 2.30 A)
&rst
ixpk= 179, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 304, 305,
&end
#
# 19 PRO HG+ 19 PRO HD+ 3.50 (# 180:25 Preassigned 2.30, 2.58 A)
&rst
ixpk= 180, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 307, 308,
igr2= 304, 305,
&end
#
# 19 PRO HG- 19 PRO HD+ 3.50 (# 181:25 Preassigned 2.30, 2.58 A)
&rst
ixpk= 181, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 307, 308,
igr2= 304, 305,
&end
#
# 35 GLY HN 35 GLY HA+ 3.50 (# 182:25 Preassigned 2.37, 2.66 A)
&rst
ixpk= 182, nxpk= 25, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 559, 560,
&end
#
# 75 GLY HN 75 GLY HA- 3.50 (# 183:25 Preassigned 2.30, 2.71 A)
&rst
ixpk= 183, nxpk= 25, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1220,1221,
&end
#
# 76 GLY HN 75 GLY HA- 3.50 (# 184:25 Preassigned 2.67, 3.21 A)
&rst
ixpk= 184, nxpk= 25, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1220,1221,
&end
#
# 74 ARG HA 75 GLY HA- 4.50 (# 185:25 Preassigned 4.31, 4.48 A)
&rst
ixpk= 185, nxpk= 25, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1220,1221,
&end
#
# 10 GLY HN 10 GLY HA+ 3.50 (# 187:25 Preassigned 2.39, 2.68 A)
&rst
ixpk= 187, nxpk= 25, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 164, 165,
&end
#
# 66 THR HN 66 THR HB 3.50 (# 188:25 Preassigned 2.45, 2.58 A)
&rst
ixpk= 188, nxpk= 25, iat=1047,1051, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 THR QG2 66 THR HB 2.80 (# 189:25 Preassigned 2.39, 2.64 A)
&rst
ixpk= 189, nxpk= 25, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1053,1054,1055,
&end
#
# 12 THR HN 12 THR HB 3.50 (# 190:25 Preassigned 2.70, 2.87 A)
&rst
ixpk= 190, nxpk= 25, iat= 191, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 THR QG2 12 THR HB 2.80 (# 191:25 Preassigned 2.23, 2.64 A)
&rst
ixpk= 191, nxpk= 25, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 197, 198, 199,
&end
#
# 14 THR HN 14 THR HB 3.50 (# 192:25 Preassigned 2.65, 2.66 A)
&rst
ixpk= 192, nxpk= 25, iat= 224, 228, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 THR QG2 14 THR HB 3.50 (# 193:25 Preassigned 2.38, 2.64 A)
&rst
ixpk= 193, nxpk= 25, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 230, 231, 232,
&end
#
# 1 MET QE 19 PRO HA 3.50 (# 194:25 Preassigned 1.97, 2.97 A)
&rst
ixpk= 194, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 15, 16, 17,
&end
#
# 19 PRO HG- 19 PRO HA 3.50 (# 195:25 Preassigned 3.85, 3.94 A)
&rst
ixpk= 195, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 307, 308,
&end
#
# 19 PRO HB+ 19 PRO HA 3.50 (# 196:25 Preassigned 2.30, 2.51 A)
&rst
ixpk= 196, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 310, 311,
&end
#
# 61 ILE QG2 65 SER HB- 3.50 (# 197:25 Preassigned 1.94, 2.77 A)
&rst
ixpk= 197, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 969, 970, 971,
igr2=1040,1041,
&end
#
# 65 SER HN 65 SER HB- 3.50 (# 198:25 Preassigned 2.32, 2.83 A)
&rst
ixpk= 198, nxpk= 25, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1040,1041,
&end
#
# 20 SER HN 20 SER HB- 4.50 (# 199:25 Preassigned 3.36, 3.42 A)
&rst
ixpk= 199, nxpk= 25, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 321, 322,
&end
#
# 20 SER HA 20 SER HB- 3.50 (# 200:25 Preassigned 2.24, 2.51 A)
&rst
ixpk= 200, nxpk= 25, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 321, 322,
&end
#
# 57 SER HN 57 SER HB+ 3.50 (# 201:25 Preassigned 2.17, 2.91 A)
&rst
ixpk= 201, nxpk= 25, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 909, 910,
&end
#
# 57 SER HN 57 SER HB- 3.50 (# 202:25 Preassigned 2.17, 2.91 A)
&rst
ixpk= 202, nxpk= 25, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 909, 910,
&end
#
# 57 SER HA 57 SER HB- 3.50 (# 203:25 Preassigned 2.44, 2.72 A)
&rst
ixpk= 203, nxpk= 25, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 909, 910,
&end
#
# 57 SER HA 57 SER HB+ 3.50 (# 204:25 Preassigned 2.44, 2.72 A)
&rst
ixpk= 204, nxpk= 25, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 909, 910,
&end
#
# 23 ILE QD1 23 ILE HA 2.80 (# 205:25 Preassigned 1.92, 2.66 A)
&rst
ixpk= 205, nxpk= 25, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 367, 368, 369,
&end
#
# 0 AMB 25-3:206 23 ILE HA 3.50 (# 206:25 Single Ambig)
&rst
ixpk= 206, nxpk= 25, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 360, 361, 362, 895, 896, 897, 899, 900, 901, 690,
691, 692, 694, 695, 696,
&end
#
# 26 VAL QG+ 23 ILE HA 3.50 (# 207:25 Preassigned 2.38, 4.04 A)
&rst
ixpk= 207, nxpk= 25, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 408, 409, 410, 412, 413, 414,
&end
#
# 26 VAL HB 23 ILE HA 3.50 (# 208:25 Preassigned 2.38, 2.41 A)
&rst
ixpk= 208, nxpk= 25, iat= 406, 356, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:209 23 ILE HA 3.50 (# 209:25 Single Ambig)
&rst
ixpk= 209, nxpk= 25, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 354, 418,
&end
#
# 0 AMB 25-3:210 64 GLU HA 3.50 (# 210:25 Single Ambig)
&rst
ixpk= 210, nxpk= 25, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1028,1029,1028,1029,
&end
#
# 64 GLU HB- 64 GLU HA 3.50 (# 211:25 Preassigned 2.43, 2.74 A)
&rst
ixpk= 211, nxpk= 25, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1025,1026,
&end
#
# 64 GLU HB+ 64 GLU HA 3.50 (# 212:25 Preassigned 2.43, 2.74 A)
&rst
ixpk= 212, nxpk= 25, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1025,1026,
&end
#
# 4 PHE HE1 64 GLU HA 3.50 (# 213:25 Preassigned 3.23, 3.26 A)
&rst
ixpk= 213, nxpk= 25, iat= 67,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 GLU HN 64 GLU HA 3.50 (# 214:25 Preassigned 2.29, 2.31 A)
&rst
ixpk= 214, nxpk= 25, iat=1021,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 GLY HN 47 GLY HA+ 3.50 (# 215:25 Preassigned 2.30, 2.59 A)
&rst
ixpk= 215, nxpk= 25, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 751, 752,
&end
#
# 0 AMB 25-3:216 42 ARG HD- 3.50 (# 216:25 Single Ambig)
&rst
ixpk= 216, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 664, 665, 664, 665,
igr2= 667, 668,
&end
#
# 0 AMB 25-3:217 0 AMB 25-1:217 3.50 (# 217:25 Double Ambig)
&rst
ixpk= 217, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 664, 665, 664, 665,
igr2= 667, 668, 667, 668,
&end
#
# 0 AMB 25-3:218 0 AMB 25-1:218 3.50 (# 218:25 Double Ambig)
&rst
ixpk= 218, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 613, 625,
igr2=1161,1162,1161,1162,1161,1162,
&end
#
# 0 AMB 25-3:220 0 AMB 25-1:220 3.50 (# 220:25 Double Ambig)
&rst
ixpk= 220, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1155,1156,1198,1199,1198,1199,
igr2=1161,1162,1161,1162,1204,1205,1204,1205,
&end
#
# 0 AMB 25-3:221 0 AMB 25-1:221 2.80 (# 221:25 Double Ambig)
&rst
ixpk= 221, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 664, 665, 664, 665, 664, 665,
igr2=1161,1162,1161,1162,1161,1162,
&end
#
# 0 AMB 25-3:222 0 AMB 25-1:222 2.80 (# 222:25 Double Ambig)
&rst
ixpk= 222, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1179,1180,1179,1180,
igr2=1204,1205,1204,1205,
&end
#
# 0 AMB 25-3:224 0 AMB 25-1:224 3.50 (# 224:25 Double Ambig)
&rst
ixpk= 224, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1196,1153,
igr2=1204,1205,1204,1205,1161,1162,
&end
#
# 54 ARG HG- 54 ARG HD+ 4.50 (# 225:25 Preassigned 2.26, 2.71 A)
&rst
ixpk= 225, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 855, 856,
igr2= 858, 859,
&end
#
# 54 ARG HG- 54 ARG HD- 4.50 (# 226:25 Preassigned 2.26, 2.71 A)
&rst
ixpk= 226, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 855, 856,
igr2= 858, 859,
&end
#
# 54 ARG HG+ 54 ARG HD- 4.50 (# 227:25 Preassigned 2.26, 2.71 A)
&rst
ixpk= 227, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 855, 856,
igr2= 858, 859,
&end
#
# 54 ARG HG+ 54 ARG HD+ 4.50 (# 228:25 Preassigned 2.26, 2.71 A)
&rst
ixpk= 228, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 855, 856,
igr2= 858, 859,
&end
#
# 54 ARG HB+ 54 ARG HD+ 4.50 (# 229:25 Preassigned 2.00, 3.07 A)
&rst
ixpk= 229, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 852, 853,
igr2= 858, 859,
&end
#
# 54 ARG HB+ 54 ARG HD- 4.50 (# 230:25 Preassigned 2.00, 3.07 A)
&rst
ixpk= 230, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 852, 853,
igr2= 858, 859,
&end
#
# 17 VAL QG- 29 LYS HE- 4.50 (# 231:25 Preassigned 2.72, 5.08 A)
&rst
ixpk= 231, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 463, 464,
&end
#
# 29 LYS HD- 29 LYS HE- 3.50 (# 232:25 Preassigned 2.22, 2.68 A)
&rst
ixpk= 232, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 460, 461,
igr2= 463, 464,
&end
#
# 29 LYS HG+ 29 LYS HE- 3.50 (# 233:25 Preassigned 2.22, 2.93 A)
&rst
ixpk= 233, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 457, 458,
igr2= 463, 464,
&end
#
# 0 AMB 25-3:234 29 LYS HE- 3.50 (# 234:25 Single Ambig)
&rst
ixpk= 234, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 457, 458, 460, 461,
igr2= 463, 464,
&end
#
# 0 AMB 25-3:235 0 AMB 25-1:235 3.50 (# 235:25 Double Ambig)
&rst
ixpk= 235, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.53, r4= 9.03,
igr1= 218, 219, 220, 278, 279, 280, 282, 283, 284, 247,
248, 249, 251, 252, 253, 247, 248, 249, 251, 252,
253,
igr2= 533, 534, 533, 534, 463, 464, 533, 534, 533, 534,
&end
#
# 29 LYS HD- 29 LYS HE+ 3.50 (# 236:25 Preassigned 2.22, 2.68 A)
&rst
ixpk= 236, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 460, 461,
igr2= 463, 464,
&end
#
# 0 AMB 25-3:237 0 AMB 25-1:237 3.50 (# 237:25 Double Ambig)
&rst
ixpk= 237, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 457, 458, 527, 528, 527, 528, 527, 528,
igr2= 463, 464, 533, 534, 533, 534, 533, 534,
&end
#
# 0 AMB 25-3:238 0 AMB 25-1:238 3.50 (# 238:25 Double Ambig)
&rst
ixpk= 238, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 457, 458, 460, 461,
igr2= 463, 464, 463, 464,
&end
#
# 0 AMB 25-3:239 0 AMB 25-1:239 4.50 (# 239:25 Double Ambig)
&rst
ixpk= 239, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1= 218, 219, 220, 247, 248, 249, 251, 252, 253,
igr2= 533, 534, 533, 534, 533, 534,
&end
#
# 0 AMB 25-3:240 0 AMB 25-1:240 3.50 (# 240:25 Double Ambig)
&rst
ixpk= 240, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 527, 528, 527, 528, 527, 528,
igr2= 533, 534, 533, 534, 533, 534,
&end
#
# 0 AMB 25-3:241 0 AMB 25-1:241 3.50 (# 241:25 Double Ambig)
&rst
ixpk= 241, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 530, 531, 530, 531, 530, 531,
igr2= 533, 534, 533, 534, 533, 534,
&end
#
# 13 ILE QG2 0 AMB 25-1:242 4.50 (# 242:25 Single Ambig)
&rst
ixpk= 242, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 211, 212, 213,
igr2= 533, 534, 533, 534,
&end
#
# 33 LYS HB- 0 AMB 25-1:243 3.50 (# 243:25 Single Ambig)
&rst
ixpk= 243, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 524, 525,
igr2= 533, 534, 533, 534,
&end
#
# 0 AMB 25-3:244 0 AMB 25-1:244 2.80 (# 244:25 Double Ambig)
&rst
ixpk= 244, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1006,1007,1006,1007,1006,1007,
igr2=1012,1013,1012,1013,1012,1013,
&end
#
# 0 AMB 25-3:245 0 AMB 25-1:245 2.80 (# 245:25 Double Ambig)
&rst
ixpk= 245, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1009,1010,1009,1010,
igr2=1012,1013,1012,1013,
&end
#
# 0 AMB 25-3:246 0 AMB 25-1:246 4.50 (# 246:25 Double Ambig)
&rst
ixpk= 246, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1003,1004,1003,1004,
igr2=1012,1013,1012,1013,
&end
#
# 63 LYS HB- 0 AMB 25-1:247 4.50 (# 247:25 Single Ambig)
&rst
ixpk= 247, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1003,1004,
igr2=1012,1013,1012,1013,
&end
#
# 0 AMB 25-3:248 0 AMB 25-1:248 7.00 (# 248:25 Double Ambig)
&rst
ixpk= 248, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.00, r4=14.50,
igr1=1028,1029,1028,1029,1028,1029, 989, 990,
igr2=1012,1013,1012,1013,1012,1013,1012,1013,
&end
#
# 11 LYS HG- 0 AMB 25-1:249 3.50 (# 249:25 Single Ambig)
&rst
ixpk= 249, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 176, 177,
igr2= 182, 183, 182, 183,
&end
#
# 0 AMB 25-3:250 0 AMB 25-1:250 3.50 (# 250:25 Double Ambig)
&rst
ixpk= 250, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 176, 177, 176, 177,
igr2= 182, 183, 182, 183,
&end
#
# 0 AMB 25-3:251 0 AMB 25-1:251 3.50 (# 251:25 Double Ambig)
&rst
ixpk= 251, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 179, 180, 179, 180, 179, 180,
igr2= 182, 183, 182, 183, 182, 183,
&end
#
# 21 ASP HN 21 ASP HB- 4.50 (# 252:25 Preassigned 2.13, 2.85 A)
&rst
ixpk= 252, nxpk= 25, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 332, 333,
&end
#
# 58 ASP HN 58 ASP HB+ 4.50 (# 253:25 Preassigned 2.13, 2.57 A)
&rst
ixpk= 253, nxpk= 25, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 920, 921,
&end
#
# 0 AMB 25-3:254 59 TYR HB- 3.50 (# 254:25 Single Ambig)
&rst
ixpk= 254, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 936, 945, 928,
igr2= 932, 933,
&end
#
# 25 ASN HA 25 ASN HB+ 4.50 (# 255:25 Preassigned 2.25, 2.49 A)
&rst
ixpk= 255, nxpk= 25, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 392, 393,
&end
#
# 21 ASP HB- 25 ASN HB+ 5.50 (# 256:25 Preassigned 3.30, 4.97 A)
&rst
ixpk= 256, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 332, 333,
igr2= 392, 393,
&end
#
# 25 ASN HN 25 ASN HB+ 3.50 (# 257:25 Unique 2.10, 2.90 A)
&rst
ixpk= 257, nxpk= 25, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 392, 393,
&end
#
# 60 ASN HA 60 ASN HB+ 3.50 (# 258:25 Preassigned 2.24, 2.81 A)
&rst
ixpk= 258, nxpk= 25, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 953, 954,
&end
#
# 60 ASN HD2+ 60 ASN HB+ 3.50 (# 259:25 Preassigned 2.43, 3.49 A)
&rst
ixpk= 259, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 958, 959,
igr2= 953, 954,
&end
#
# 0 AMB 25-3:260 26 VAL HA 2.80 (# 260:25 Single Ambig)
&rst
ixpk= 260, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 408, 409, 410, 412, 413, 414, 278, 279, 280, 282,
283, 284,
&end
#
# 26 VAL QG+ 26 VAL HA 3.50 (# 261:25 Preassigned 2.32, 3.11 A)
&rst
ixpk= 261, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 408, 409, 410, 412, 413, 414,
&end
#
# 26 VAL HN 26 VAL HA 4.50 (# 262:25 Preassigned 2.79, 2.81 A)
&rst
ixpk= 262, nxpk= 25, iat= 402, 404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ILE HG1+ 30 ILE HA 3.50 (# 263:25 Preassigned 3.53, 3.58 A)
&rst
ixpk= 263, nxpk= 25, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 482, 483,
&end
#
# 30 ILE QD1 30 ILE HA 3.50 (# 264:25 Unique 1.93, 2.81 A)
&rst
ixpk= 264, nxpk= 25, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 485, 486, 487,
&end
#
# 0 AMB 25-3:265 30 ILE HA 2.80 (# 265:25 Single Ambig)
&rst
ixpk= 265, nxpk= 25, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 478, 479, 480, 218, 219, 220,
&end
#
# 30 ILE HN 30 ILE HA 4.50 (# 266:25 Preassigned 2.79, 2.80 A)
&rst
ixpk= 266, nxpk= 25, iat= 472, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 ILE QG2 61 ILE HA 3.50 (# 267:25 Preassigned 2.45, 3.15 A)
&rst
ixpk= 267, nxpk= 25, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 969, 970, 971,
&end
#
# 61 ILE HN 61 ILE HA 3.50 (# 268:25 Preassigned 2.80, 2.90 A)
&rst
ixpk= 268, nxpk= 25, iat= 963, 965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 GLN HN 61 ILE HA 2.80 (# 269:25 Preassigned 2.20, 2.22 A)
&rst
ixpk= 269, nxpk= 25, iat= 982, 965, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 25-3:270 45 PHE HB- 3.50 (# 270:25 Single Ambig)
&rst
ixpk= 270, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 735, 727,
igr2= 723, 724,
&end
#
# 66 THR QG2 0 AMB 25-1:271 4.50 (# 271:25 Single Ambig)
&rst
ixpk= 271, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1053,1054,1055,
igr2= 106, 107, 106, 107,
&end
#
# 12 THR QG2 0 AMB 25-1:272 4.50 (# 272:25 Single Ambig)
&rst
ixpk= 272, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 197, 198, 199,
igr2= 106, 107, 106, 107,
&end
#
# 6 LYS HG- 0 AMB 25-1:273 3.50 (# 273:25 Single Ambig)
&rst
ixpk= 273, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 100, 101,
igr2= 106, 107, 106, 107,
&end
#
# 0 AMB 25-3:274 0 AMB 25-1:274 3.50 (# 274:25 Double Ambig)
&rst
ixpk= 274, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 100, 101, 100, 101,
igr2= 106, 107, 106, 107,
&end
#
# 0 AMB 25-3:275 0 AMB 25-1:275 2.80 (# 275:25 Double Ambig)
&rst
ixpk= 275, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 97, 98, 103, 104, 103, 104, 103, 104,
igr2= 106, 107, 106, 107, 106, 107, 106, 107,
&end
#
# 32 ASP HN 32 ASP HB+ 3.50 (# 276:25 Preassigned 2.14, 2.68 A)
&rst
ixpk= 276, nxpk= 25, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 512, 513,
&end
#
# 32 ASP HN 32 ASP HB- 3.50 (# 277:25 Preassigned 2.14, 2.68 A)
&rst
ixpk= 277, nxpk= 25, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 512, 513,
&end
#
# 33 LYS HN 32 ASP HB- 3.50 (# 278:25 Preassigned 3.41, 3.56 A)
&rst
ixpk= 278, nxpk= 25, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 512, 513,
&end
#
# 33 LYS HN 32 ASP HB+ 3.50 (# 279:25 Preassigned 3.41, 3.56 A)
&rst
ixpk= 279, nxpk= 25, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 512, 513,
&end
#
# 32 ASP HA 32 ASP HB+ 3.50 (# 280:25 Preassigned 2.77, 2.85 A)
&rst
ixpk= 280, nxpk= 25, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 512, 513,
&end
#
# 32 ASP HA 32 ASP HB- 3.50 (# 281:25 Preassigned 2.77, 2.85 A)
&rst
ixpk= 281, nxpk= 25, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 512, 513,
&end
#
# 29 LYS HA 32 ASP HB- 4.50 (# 282:25 Preassigned 2.98, 3.54 A)
&rst
ixpk= 282, nxpk= 25, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 512, 513,
&end
#
# 29 LYS HA 32 ASP HB+ 3.50 (# 283:25 Unique 2.98, 3.54 A)
&rst
ixpk= 283, nxpk= 25, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 512, 513,
&end
#
# 12 THR QG2 4 PHE HB+ 3.50 (# 284:25 Preassigned 2.07, 2.99 A)
&rst
ixpk= 284, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 197, 198, 199,
igr2= 61, 62,
&end
#
# 52 ASP HN 52 ASP HB- 3.50 (# 285:25 Preassigned 2.09, 2.90 A)
&rst
ixpk= 285, nxpk= 25, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 833, 834,
&end
#
# 21 ASP HN 21 ASP HB+ 3.50 (# 286:25 Preassigned 2.13, 2.85 A)
&rst
ixpk= 286, nxpk= 25, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 332, 333,
&end
#
# 39 ASP HN 39 ASP HB+ 3.50 (# 287:25 Preassigned 2.10, 2.99 A)
&rst
ixpk= 287, nxpk= 25, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 615, 616,
&end
#
# 39 ASP HN 39 ASP HB- 3.50 (# 288:25 Preassigned 2.10, 2.99 A)
&rst
ixpk= 288, nxpk= 25, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 615, 616,
&end
#
# 39 ASP HA 39 ASP HB+ 3.50 (# 289:25 Preassigned 2.36, 2.70 A)
&rst
ixpk= 289, nxpk= 25, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 615, 616,
&end
#
# 39 ASP HA 39 ASP HB- 3.50 (# 290:25 Preassigned 2.36, 2.70 A)
&rst
ixpk= 290, nxpk= 25, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 615, 616,
&end
#
# 25 ASN HN 25 ASN HB- 3.50 (# 291:25 Unique 2.10, 2.90 A)
&rst
ixpk= 291, nxpk= 25, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 392, 393,
&end
#
# 25 ASN HA 25 ASN HB- 3.50 (# 292:25 Preassigned 2.25, 2.49 A)
&rst
ixpk= 292, nxpk= 25, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 392, 393,
&end
#
# 60 ASN HN 60 ASN HB- 4.50 (# 293:25 Preassigned 3.21, 3.65 A)
&rst
ixpk= 293, nxpk= 25, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 953, 954,
&end
#
# 60 ASN HA 60 ASN HB- 3.50 (# 294:25 Preassigned 2.24, 2.81 A)
&rst
ixpk= 294, nxpk= 25, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 953, 954,
&end
#
# 0 AMB 25-3:295 0 AMB 25-1:295 2.80 (# 295:25 Double Ambig)
&rst
ixpk= 295, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 478, 479, 480, 482, 483, 278, 279, 280, 282, 283,
284,
igr2= 476, 276,
&end
#
# 30 ILE HG1+ 30 ILE HB 2.80 (# 296:25 Preassigned 2.29, 2.48 A)
&rst
ixpk= 296, nxpk= 25, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 482, 483,
&end
#
# 54 ARG HB- 51 GLU HG+ 3.50 (# 297:25 Preassigned 2.06, 3.66 A)
&rst
ixpk= 297, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 852, 853,
igr2= 821, 822,
&end
#
# 51 GLU HB+ 51 GLU HG+ 3.50 (# 298:25 Preassigned 2.21, 2.71 A)
&rst
ixpk= 298, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 818, 819,
igr2= 821, 822,
&end
#
# 51 GLU HB+ 51 GLU HG- 2.80 (# 299:25 Preassigned 2.21, 2.71 A)
&rst
ixpk= 299, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 818, 819,
igr2= 821, 822,
&end
#
# 51 GLU HA 51 GLU HG+ 3.50 (# 301:25 Preassigned 3.49, 3.71 A)
&rst
ixpk= 301, nxpk= 25, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 821, 822,
&end
#
# 51 GLU HA 51 GLU HG- 3.50 (# 302:25 Preassigned 3.49, 3.71 A)
&rst
ixpk= 302, nxpk= 25, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 821, 822,
&end
#
# 17 VAL HA 17 VAL HB 3.50 (# 303:25 Preassigned 2.67, 2.70 A)
&rst
ixpk= 303, nxpk= 25, iat= 274, 276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 GLU HN 17 VAL HB 3.50 (# 304:25 Preassigned 1.73, 1.75 A)
&rst
ixpk= 304, nxpk= 25, iat= 288, 276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 VAL QG+ 17 VAL HB 3.50 (# 305:25 Preassigned 2.36, 2.63 A)
&rst
ixpk= 305, nxpk= 25, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 18 GLU HB- 18 GLU HG- 3.50 (# 306:25 Preassigned 2.29, 2.66 A)
&rst
ixpk= 306, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 292, 293,
igr2= 295, 296,
&end
#
# 40 GLN HB- 0 AMB 25-1:307 3.50 (# 307:25 Single Ambig)
&rst
ixpk= 307, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 627, 628,
igr2= 630, 631, 630, 631,
&end
#
# 37 PRO HB- 0 AMB 25-1:308 4.50 (# 308:25 Single Ambig)
&rst
ixpk= 308, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 590, 591,
igr2= 630, 631, 630, 631,
&end
#
# 40 GLN HA 0 AMB 25-1:309 3.50 (# 309:25 Single Ambig)
&rst
ixpk= 309, nxpk= 25, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 630, 631, 630, 631,
&end
#
# 0 AMB 25-3:311 0 AMB 25-1:311 3.50 (# 311:25 Double Ambig)
&rst
ixpk= 311, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 635, 636, 635, 636,
igr2= 630, 631, 630, 631,
&end
#
# 0 AMB 25-3:312 0 AMB 25-1:312 3.50 (# 312:25 Double Ambig)
&rst
ixpk= 312, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 986, 987, 986, 987,
igr2= 989, 990, 989, 990,
&end
#
# 37 PRO HA 37 PRO HB+ 3.50 (# 313:25 Preassigned 2.30, 2.51 A)
&rst
ixpk= 313, nxpk= 25, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 590, 591,
&end
#
# 19 PRO HA 19 PRO HB+ 3.50 (# 314:25 Preassigned 2.30, 2.51 A)
&rst
ixpk= 314, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 310, 311,
&end
#
# 0 AMB 25-3:315 0 AMB 25-1:315 3.50 (# 315:25 Double Ambig)
&rst
ixpk= 315, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 909, 910, 598, 599, 598, 599,
igr2= 310, 311, 590, 591, 590, 591,
&end
#
# 19 PRO HG+ 19 PRO HB+ 3.50 (# 316:25 Preassigned 2.32, 2.58 A)
&rst
ixpk= 316, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 307, 308,
igr2= 310, 311,
&end
#
# 0 AMB 25-3:317 0 AMB 25-1:317 2.80 (# 317:25 Double Ambig)
&rst
ixpk= 317, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 307, 308, 587, 588,
igr2= 310, 311, 590, 591,
&end
#
# 17 VAL QG+ 1 MET HG+ 3.50 (# 318:25 Preassigned 3.53, 6.10 A)
&rst
ixpk= 318, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 11, 12,
&end
#
# 1 MET QE 1 MET HG+ 3.50 (# 319:25 Preassigned 2.22, 3.26 A)
&rst
ixpk= 319, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 15, 16, 17,
igr2= 11, 12,
&end
#
# 0 AMB 25-3:320 0 AMB 25-1:320 3.50 (# 320:25 Double Ambig)
&rst
ixpk= 320, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 8, 9, 8, 9,
igr2= 11, 12, 11, 12,
&end
#
# 26 VAL QG- 26 VAL HB 3.50 (# 321:25 Preassigned 2.23, 2.63 A)
&rst
ixpk= 321, nxpk= 25, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 408, 409, 410, 412, 413, 414,
&end
#
# 26 VAL QG+ 26 VAL HB 3.50 (# 322:25 Preassigned 2.23, 2.63 A)
&rst
ixpk= 322, nxpk= 25, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 408, 409, 410, 412, 413, 414,
&end
#
# 26 VAL HN 26 VAL HB 3.50 (# 323:25 Preassigned 2.51, 2.52 A)
&rst
ixpk= 323, nxpk= 25, iat= 402, 406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:324 0 AMB 25-1:324 3.50 (# 324:25 Double Ambig)
&rst
ixpk= 324, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1028,1029,1028,1029,
igr2=1025,1026,1025,1026,
&end
#
# 0 AMB 25-3:325 64 GLU HB- 3.50 (# 325:25 Single Ambig)
&rst
ixpk= 325, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1028,1029,1028,1029,
igr2=1025,1026,
&end
#
# 0 AMB 25-3:326 0 AMB 25-1:326 3.50 (# 326:25 Double Ambig)
&rst
ixpk= 326, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 83, 84, 85, 87, 88, 89,1070,1071,1072,1074,
1075,1076,1070,1071,1072,1074,1075,1076,
igr2=1065,1066,1065,1066,1065,1066,
&end
#
# 69 LEU QD- 0 AMB 25-1:327 4.50 (# 327:25 Single Ambig)
&rst
ixpk= 327, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1106,1107,1108,1110,1111,1112,
igr2= 133, 134, 133, 134,
&end
#
# 0 AMB 25-3:328 0 AMB 25-1:328 3.50 (# 328:25 Double Ambig)
&rst
ixpk= 328, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
143, 144,
igr2= 133, 134, 133, 134,
&end
#
# 8 LEU QD- 0 AMB 25-1:329 3.50 (# 329:25 Single Ambig)
&rst
ixpk= 329, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 138, 139, 140, 142, 143, 144,
igr2= 133, 134, 133, 134,
&end
#
# 8 LEU HG 0 AMB 25-1:330 2.80 (# 330:25 Single Ambig)
&rst
ixpk= 330, nxpk= 25, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 133, 134, 133, 134,
&end
#
# 8 LEU HA 0 AMB 25-1:331 3.50 (# 331:25 Single Ambig)
&rst
ixpk= 331, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 133, 134, 133, 134,
&end
#
# 8 LEU HN 0 AMB 25-1:332 3.50 (# 332:25 Single Ambig)
&rst
ixpk= 332, nxpk= 25, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 133, 134, 133, 134,
&end
#
# 0 AMB 25-3:333 0 AMB 25-1:333 3.50 (# 333:25 Double Ambig)
&rst
ixpk= 333, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1141,1142,1143,1145,1146,1147, 48, 49,
igr2=1136,1137, 42,
&end
#
# 0 AMB 25-3:336 0 AMB 25-1:336 3.50 (# 336:25 Double Ambig)
&rst
ixpk= 336, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1175, 57,
igr2=1136,1137, 42,
&end
#
# 0 AMB 25-3:337 3 ILE HB 2.80 (# 337:25 Single Ambig)
&rst
ixpk= 337, nxpk= 25, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 44, 45, 46, 51, 52, 53,
&end
#
# 44 ILE QG2 44 ILE HB 2.80 (# 338:25 Preassigned 2.28, 2.63 A)
&rst
ixpk= 338, nxpk= 25, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 706, 707, 708,
&end
#
# 44 ILE HN 44 ILE HB 3.50 (# 339:25 Preassigned 2.36, 2.58 A)
&rst
ixpk= 339, nxpk= 25, iat= 700, 704, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 ILE QD1 13 ILE HB 3.50 (# 340:25 Preassigned 3.36, 3.74 A)
&rst
ixpk= 340, nxpk= 25, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 218, 219, 220,
&end
#
# 13 ILE QG2 13 ILE HB 3.50 (# 341:25 Preassigned 2.40, 2.63 A)
&rst
ixpk= 341, nxpk= 25, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 211, 212, 213,
&end
#
# 5 VAL HB 13 ILE HB 5.50 (# 342:25 Preassigned 4.77, 4.82 A)
&rst
ixpk= 342, nxpk= 25, iat= 81, 209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ILE HN 13 ILE HB 3.50 (# 343:25 Preassigned 3.18, 3.21 A)
&rst
ixpk= 343, nxpk= 25, iat= 205, 209, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 ASP HN 58 ASP HB- 3.50 (# 344:25 Preassigned 2.13, 2.57 A)
&rst
ixpk= 344, nxpk= 25, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 920, 921,
&end
#
# 58 ASP HA 58 ASP HB- 3.50 (# 345:25 Preassigned 2.53, 2.82 A)
&rst
ixpk= 345, nxpk= 25, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 920, 921,
&end
#
# 0 AMB 25-3:346 0 AMB 25-1:346 3.50 (# 346:25 Double Ambig)
&rst
ixpk= 346, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1006,1007,1006,1007,1006,1007,
igr2=1028,1029,1028,1029,1028,1029,
&end
#
# 63 LYS HB- 0 AMB 25-1:347 7.00 (# 347:25 Single Ambig)
&rst
ixpk= 347, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1003,1004,
igr2=1028,1029,1028,1029,
&end
#
# 64 GLU HB- 0 AMB 25-1:348 2.80 (# 348:25 Single Ambig)
&rst
ixpk= 348, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1025,1026,
igr2=1028,1029,1028,1029,
&end
#
# 0 AMB 25-3:349 0 AMB 25-1:349 2.80 (# 349:25 Double Ambig)
&rst
ixpk= 349, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1025,1026,1025,1026,
igr2=1028,1029,1028,1029,
&end
#
# 64 GLU HA 0 AMB 25-1:350 3.50 (# 350:25 Single Ambig)
&rst
ixpk= 350, nxpk= 25, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1028,1029,1028,1029,
&end
#
# 4 PHE HZ 0 AMB 25-1:351 3.50 (# 351:25 Single Ambig)
&rst
ixpk= 351, nxpk= 25, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1028,1029,1028,1029,
&end
#
# 64 GLU HN 0 AMB 25-1:352 3.50 (# 352:25 Single Ambig)
&rst
ixpk= 352, nxpk= 25, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1028,1029,1028,1029,
&end
#
# 13 ILE QD1 34 GLU HG- 3.50 (# 353:25 Preassigned 2.94, 4.70 A)
&rst
ixpk= 353, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 218, 219, 220,
igr2= 549, 550,
&end
#
# 34 GLU HB- 34 GLU HG- 3.50 (# 354:25 Preassigned 2.21, 2.54 A)
&rst
ixpk= 354, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 546, 547,
igr2= 549, 550,
&end
#
# 34 GLU HB+ 34 GLU HG- 3.50 (# 355:25 Preassigned 2.21, 2.54 A)
&rst
ixpk= 355, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 546, 547,
igr2= 549, 550,
&end
#
# 13 ILE QD1 34 GLU HG+ 3.50 (# 356:25 Preassigned 2.94, 4.70 A)
&rst
ixpk= 356, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 218, 219, 220,
igr2= 549, 550,
&end
#
# 34 GLU HB- 34 GLU HG+ 3.50 (# 357:25 Preassigned 2.21, 2.54 A)
&rst
ixpk= 357, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 546, 547,
igr2= 549, 550,
&end
#
# 33 LYS HB- 34 GLU HG+ 4.50 (# 358:25 Unique 3.03, 4.48 A)
&rst
ixpk= 358, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 524, 525,
igr2= 549, 550,
&end
#
# 0 AMB 25-3:359 0 AMB 25-1:359 3.50 (# 359:25 Double Ambig)
&rst
ixpk= 359, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 377, 378, 377, 378, 377, 378,
igr2= 380, 381, 380, 381, 380, 381,
&end
#
# 0 AMB 25-3:360 16 GLU HG- 2.80 (# 360:25 Single Ambig)
&rst
ixpk= 360, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 25, 26, 261, 262,
igr2= 264, 265,
&end
#
# 16 GLU HB- 16 GLU HG+ 2.80 (# 361:25 Preassigned 2.31, 2.72 A)
&rst
ixpk= 361, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 261, 262,
igr2= 264, 265,
&end
#
# 16 GLU HB+ 16 GLU HG+ 2.80 (# 362:25 Preassigned 2.31, 2.72 A)
&rst
ixpk= 362, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 261, 262,
igr2= 264, 265,
&end
#
# 44 ILE QD1 0 AMB 25-1:363 3.50 (# 363:25 Single Ambig)
&rst
ixpk= 363, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 713, 714, 715,
igr2= 785, 786, 785, 786,
&end
#
# 0 AMB 25-3:364 0 AMB 25-1:364 3.50 (# 364:25 Double Ambig)
&rst
ixpk= 364, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 25, 26, 292, 293,
igr2= 264, 265, 295, 296,
&end
#
# 0 AMB 25-3:365 0 AMB 25-1:365 2.80 (# 365:25 Double Ambig)
&rst
ixpk= 365, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 782, 783, 782, 783,
igr2= 785, 786, 785, 786,
&end
#
# 49 GLN HA 0 AMB 25-1:366 3.50 (# 366:25 Single Ambig)
&rst
ixpk= 366, nxpk= 25, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 785, 786, 785, 786,
&end
#
# 49 GLN HE2- 0 AMB 25-1:367 4.50 (# 367:25 Single Ambig)
&rst
ixpk= 367, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 790, 791,
igr2= 785, 786, 785, 786,
&end
#
# 0 AMB 25-3:368 0 AMB 25-1:368 3.50 (# 368:25 Double Ambig)
&rst
ixpk= 368, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 288, 795,
igr2= 295, 296, 785, 786, 785, 786,
&end
#
# 49 GLN HN 0 AMB 25-1:369 3.50 (# 369:25 Single Ambig)
&rst
ixpk= 369, nxpk= 25, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 785, 786, 785, 786,
&end
#
# 49 GLN HN 0 AMB 25-1:370 3.50 (# 370:25 Single Ambig)
&rst
ixpk= 370, nxpk= 25, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 760, 761, 760, 761,
&end
#
# 48 LYS HN 0 AMB 25-1:371 3.50 (# 371:25 Single Ambig)
&rst
ixpk= 371, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 760, 761, 760, 761,
&end
#
# 48 LYS HA 0 AMB 25-1:372 3.50 (# 372:25 Single Ambig)
&rst
ixpk= 372, nxpk= 25, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 760, 761, 760, 761,
&end
#
# 0 AMB 25-3:373 0 AMB 25-1:373 2.80 (# 373:25 Double Ambig)
&rst
ixpk= 373, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 664, 665, 664, 665, 763, 764, 763, 764, 763, 764,
igr2=1120, 760, 761, 760, 761, 760, 761,
&end
#
# 0 AMB 25-3:374 0 AMB 25-1:374 3.50 (# 374:25 Double Ambig)
&rst
ixpk= 374, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 661, 662, 25, 26,
igr2=1120, 28, 29,
&end
#
# 70 VAL QG+ 70 VAL HB 3.50 (# 375:25 Preassigned 2.22, 2.63 A)
&rst
ixpk= 375, nxpk= 25, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1122,1123,1124,1126,1127,1128,
&end
#
# 70 VAL QG- 70 VAL HB 3.50 (# 376:25 Preassigned 2.22, 2.63 A)
&rst
ixpk= 376, nxpk= 25, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1122,1123,1124,1126,1127,1128,
&end
#
# 0 AMB 25-3:377 0 AMB 25-1:377 3.50 (# 377:25 Double Ambig)
&rst
ixpk= 377, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 428, 429, 527, 528, 527, 528, 425, 426,
igr2= 422, 423, 524, 525, 524, 525,
&end
#
# 0 AMB 25-3:378 0 AMB 25-1:378 3.50 (# 378:25 Double Ambig)
&rst
ixpk= 378, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 530, 531, 530, 531,
igr2= 524, 525, 524, 525,
&end
#
# 33 LYS HA 33 LYS HB+ 3.50 (# 379:25 Preassigned 2.40, 2.72 A)
&rst
ixpk= 379, nxpk= 25, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 524, 525,
&end
#
# 33 LYS HN 33 LYS HB+ 3.50 (# 380:25 Preassigned 2.59, 3.17 A)
&rst
ixpk= 380, nxpk= 25, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 524, 525,
&end
#
# 0 AMB 25-3:381 5 VAL HB 2.80 (# 381:25 Single Ambig)
&rst
ixpk= 381, nxpk= 25, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87,
88, 89, 218, 219, 220,
&end
#
# 2 GLN HB+ 2 GLN HG+ 4.50 (# 382:25 Preassigned 2.33, 2.60 A)
&rst
ixpk= 382, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 25, 26,
igr2= 28, 29,
&end
#
# 33 LYS HN 33 LYS HB- 3.50 (# 383:25 Preassigned 2.59, 3.17 A)
&rst
ixpk= 383, nxpk= 25, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 524, 525,
&end
#
# 33 LYS HA 33 LYS HB- 3.50 (# 384:25 Preassigned 2.40, 2.72 A)
&rst
ixpk= 384, nxpk= 25, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 524, 525,
&end
#
# 0 AMB 25-3:385 33 LYS HB- 3.50 (# 385:25 Single Ambig)
&rst
ixpk= 385, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 530, 531, 530, 531,
igr2= 524, 525,
&end
#
# 0 AMB 25-3:386 33 LYS HB- 2.80 (# 386:25 Single Ambig)
&rst
ixpk= 386, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 527, 528, 527, 528,
igr2= 524, 525,
&end
#
# 31 GLN HB+ 31 GLN HG- 3.50 (# 387:25 Preassigned 2.21, 2.68 A)
&rst
ixpk= 387, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 495, 496,
igr2= 498, 499,
&end
#
# 37 PRO HB- 31 GLN HG- 3.50 (# 388:25 Preassigned 3.31, 4.69 A)
&rst
ixpk= 388, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 590, 591,
igr2= 498, 499,
&end
#
# 0 AMB 25-3:389 11 LYS HB- 3.50 (# 389:25 Single Ambig)
&rst
ixpk= 389, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 176, 177, 154, 155, 156,
igr2= 173, 174,
&end
#
# 0 AMB 25-3:390 11 LYS HB- 3.50 (# 390:25 Single Ambig)
&rst
ixpk= 390, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 179, 180, 179, 180,
igr2= 173, 174,
&end
#
# 11 LYS HN 11 LYS HB- 3.50 (# 391:25 Preassigned 2.22, 2.92 A)
&rst
ixpk= 391, nxpk= 25, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 173, 174,
&end
#
# 0 AMB 25-3:392 0 AMB 25-1:392 3.50 (# 392:25 Double Ambig)
&rst
ixpk= 392, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 601, 602, 425, 426, 428, 429,
igr2= 604, 605, 604, 605, 604, 605,
&end
#
# 38 PRO HA 38 PRO HB+ 3.50 (# 393:25 Preassigned 2.30, 2.51 A)
&rst
ixpk= 393, nxpk= 25, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 604, 605,
&end
#
# 51 GLU HN 54 ARG HB- 3.50 (# 394:25 Preassigned 2.48, 3.33 A)
&rst
ixpk= 394, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 852, 853,
&end
#
# 53 GLY HA+ 54 ARG HB- 4.50 (# 395:25 Preassigned 5.18, 5.91 A)
&rst
ixpk= 395, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 843, 844,
igr2= 852, 853,
&end
#
# 27 LYS HD+ 38 PRO HB- 3.50 (# 397:25 Preassigned 3.61, 4.04 A)
&rst
ixpk= 397, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 428, 429,
igr2= 604, 605,
&end
#
# 0 AMB 25-3:398 0 AMB 25-1:398 3.50 (# 398:25 Double Ambig)
&rst
ixpk= 398, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1009,1010, 855, 856, 601, 602,
igr2=1003,1004, 852, 853, 604, 605,
&end
#
# 50 LEU HB+ 54 ARG HB- 3.50 (# 399:25 Preassigned 3.68, 5.02 A)
&rst
ixpk= 399, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 799, 800,
igr2= 852, 853,
&end
#
# 0 AMB 25-3:400 0 AMB 25-1:400 3.50 (# 400:25 Double Ambig)
&rst
ixpk= 400, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1006,1007,1006,1007,
igr2=1003,1004,1003,1004,
&end
#
# 63 LYS HD+ 63 LYS HB+ 3.50 (# 401:25 Preassigned 1.96, 3.20 A)
&rst
ixpk= 401, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1009,1010,
igr2=1003,1004,
&end
#
# 63 LYS HA 63 LYS HB+ 3.50 (# 403:25 Preassigned 2.27, 2.60 A)
&rst
ixpk= 403, nxpk= 25, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1003,1004,
&end
#
# 63 LYS HN 63 LYS HB+ 3.50 (# 404:25 Preassigned 2.98, 3.81 A)
&rst
ixpk= 404, nxpk= 25, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1003,1004,
&end
#
# 0 AMB 25-3:405 0 AMB 25-1:405 3.50 (# 405:25 Double Ambig)
&rst
ixpk= 405, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 611, 354,
igr2= 604, 605, 852, 853,
&end
#
# 1 MET HA 1 MET HB+ 3.50 (# 406:25 Unique 2.26, 2.48 A)
&rst
ixpk= 406, nxpk= 25, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 8, 9,
&end
#
# 70 VAL QG- 0 AMB 25-1:407 3.50 (# 407:25 Single Ambig)
&rst
ixpk= 407, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1122,1123,1124,1126,1127,1128,
igr2= 133, 134, 133, 134,
&end
#
# 68 HIS HB+ 44 ILE HB 3.50 (# 409:25 Preassigned 1.85, 2.28 A)
&rst
ixpk= 409, nxpk= 25, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1084,1085,
&end
#
# 13 ILE HG1- 13 ILE HB 4.50 (# 410:25 Preassigned 2.24, 2.52 A)
&rst
ixpk= 410, nxpk= 25, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 215, 216,
&end
#
# 56 LEU QD+ 56 LEU HB+ 4.50 (# 411:25 Preassigned 2.23, 3.32 A)
&rst
ixpk= 411, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 895, 896, 897, 899, 900, 901,
igr2= 890, 891,
&end
#
# 56 LEU QD- 56 LEU HB+ 4.50 (# 412:25 Preassigned 2.23, 3.32 A)
&rst
ixpk= 412, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 895, 896, 897, 899, 900, 901,
igr2= 890, 891,
&end
#
# 0 AMB 25-3:413 0 AMB 25-1:413 3.50 (# 413:25 Double Ambig)
&rst
ixpk= 413, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 313, 888,
igr2= 890, 891, 890, 891,
&end
#
# 0 AMB 25-3:414 0 AMB 25-1:414 3.50 (# 414:25 Double Ambig)
&rst
ixpk= 414, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1003,1004,1003,1004, 28, 29,
igr2=1028,1029,1028,1029,
&end
#
# 0 AMB 25-3:415 0 AMB 25-1:415 4.50 (# 415:25 Double Ambig)
&rst
ixpk= 415, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1009,1010,1009,1010,
igr2=1028,1029,1028,1029,
&end
#
# 16 GLU HA 16 GLU HG- 4.50 (# 416:25 Preassigned 2.19, 2.55 A)
&rst
ixpk= 416, nxpk= 25, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 264, 265,
&end
#
# 16 GLU HA 16 GLU HG+ 4.50 (# 417:25 Preassigned 2.19, 2.55 A)
&rst
ixpk= 417, nxpk= 25, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 264, 265,
&end
#
# 18 GLU HA 18 GLU HG+ 4.50 (# 418:25 Preassigned 2.47, 3.64 A)
&rst
ixpk= 418, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 295, 296,
&end
#
# 14 THR QG2 2 GLN HG+ 4.50 (# 419:25 Preassigned 2.12, 2.59 A)
&rst
ixpk= 419, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 230, 231, 232,
igr2= 28, 29,
&end
#
# 2 GLN HA 2 GLN HG+ 4.50 (# 420:25 Preassigned 3.52, 3.86 A)
&rst
ixpk= 420, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 28, 29,
&end
#
# 2 GLN HN 2 GLN HG+ 4.50 (# 421:25 Preassigned 3.53, 3.93 A)
&rst
ixpk= 421, nxpk= 25, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 28, 29,
&end
#
# 50 LEU QD- 0 AMB 25-1:422 4.50 (# 422:25 Single Ambig)
&rst
ixpk= 422, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 760, 761, 760, 761,
&end
#
# 34 GLU HN 33 LYS HB+ 4.50 (# 423:25 Unique 3.04, 3.63 A)
&rst
ixpk= 423, nxpk= 25, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 524, 525,
&end
#
# 13 ILE QD1 33 LYS HB+ 4.50 (# 424:25 Unique 2.23, 3.21 A)
&rst
ixpk= 424, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 218, 219, 220,
igr2= 524, 525,
&end
#
# 0 AMB 25-3:425 0 AMB 25-1:425 2.80 (# 425:25 Double Ambig)
&rst
ixpk= 425, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 976, 977, 978, 969, 970, 971,
igr2= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
&end
#
# 26 VAL QG+ 56 LEU QD+ 3.50 (# 426:25 Preassigned 1.98, 4.58 A)
&rst
ixpk= 426, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 408, 409, 410, 412, 413, 414,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 56 LEU HB- 56 LEU QD+ 3.50 (# 427:25 Preassigned 2.23, 3.32 A)
&rst
ixpk= 427, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 890, 891,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 61 ILE HB 56 LEU QD+ 3.50 (# 428:25 Preassigned 3.23, 4.54 A)
&rst
ixpk= 428, nxpk= 25, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 56 LEU HG 56 LEU QD+ 3.50 (# 429:25 Preassigned 2.21, 2.63 A)
&rst
ixpk= 429, nxpk= 25, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 56 LEU HB+ 56 LEU QD+ 3.50 (# 430:25 Preassigned 2.23, 3.32 A)
&rst
ixpk= 430, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 890, 891,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 25-3:431 0 AMB 25-1:431 4.50 (# 431:25 Double Ambig)
&rst
ixpk= 431, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 276, 406,
igr2= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
&end
#
# 21 ASP HB+ 56 LEU QD+ 4.50 (# 432:25 Preassigned 3.12, 5.36 A)
&rst
ixpk= 432, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 332, 333,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 25-3:433 0 AMB 25-1:433 5.50 (# 433:25 Double Ambig)
&rst
ixpk= 433, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 404, 965,
igr2= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
&end
#
# 23 ILE HA 56 LEU QD+ 4.50 (# 434:25 Preassigned 3.25, 5.45 A)
&rst
ixpk= 434, nxpk= 25, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 56 LEU HA 56 LEU QD+ 3.50 (# 435:25 Preassigned 1.93, 3.64 A)
&rst
ixpk= 435, nxpk= 25, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 59 TYR HN 56 LEU QD+ 5.50 (# 436:25 Preassigned 5.53, 7.12 A)
&rst
ixpk= 436, nxpk= 25, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 56 LEU HN 56 LEU QD+ 3.50 (# 437:25 Preassigned 2.83, 4.14 A)
&rst
ixpk= 437, nxpk= 25, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 57 SER HN 56 LEU QD+ 5.50 (# 438:25 Preassigned 4.73, 5.48 A)
&rst
ixpk= 438, nxpk= 25, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 5 VAL HN 5 VAL QG- 4.50 (# 439:25 Unique 2.19, 3.77 A)
&rst
ixpk= 439, nxpk= 25, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 6 LYS HN 5 VAL QG- 3.50 (# 440:25 Preassigned 3.38, 4.86 A)
&rst
ixpk= 440, nxpk= 25, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 69 LEU HN 5 VAL QG- 4.50 (# 441:25 Preassigned 3.09, 5.46 A)
&rst
ixpk= 441, nxpk= 25, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 0 AMB 25-3:442 5 VAL QG- 3.50 (# 442:25 Single Ambig)
&rst
ixpk= 442, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1082,1099,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 5 VAL HA 5 VAL QG- 3.50 (# 443:25 Preassigned 2.28, 3.12 A)
&rst
ixpk= 443, nxpk= 25, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 67 LEU HG 5 VAL QG- 3.50 (# 444:25 Preassigned 3.99, 5.26 A)
&rst
ixpk= 444, nxpk= 25, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 5 VAL HB 5 VAL QG- 3.50 (# 445:25 Preassigned 2.22, 2.63 A)
&rst
ixpk= 445, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 69 LEU HB- 5 VAL QG- 2.80 (# 446:25 Preassigned 2.34, 5.22 A)
&rst
ixpk= 446, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1101,1102,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 0 AMB 25-3:447 5 VAL QG- 3.50 (# 447:25 Single Ambig)
&rst
ixpk= 447, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 242, 243,1104,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 0 AMB 25-3:448 5 VAL QG- 3.50 (# 448:25 Single Ambig)
&rst
ixpk= 448, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 242, 243, 121, 122, 123,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 69 LEU HB+ 5 VAL QG- 3.50 (# 449:25 Unique 2.34, 5.22 A)
&rst
ixpk= 449, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1101,1102,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 30 ILE QD1 5 VAL QG- 2.80 (# 450:25 Preassigned 2.10, 4.25 A)
&rst
ixpk= 450, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 485, 486, 487,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 3 ILE QD1 5 VAL QG- 4.50 (# 451:25 Preassigned 2.32, 4.92 A)
&rst
ixpk= 451, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 51, 52, 53,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 69 LEU HB+ 70 VAL QG- 4.50 (# 453:25 Preassigned 5.01, 7.16 A)
&rst
ixpk= 453, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1101,1102,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 8 LEU QD- 70 VAL QG- 3.50 (# 454:25 Preassigned 1.90, 5.39 A)
&rst
ixpk= 454, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 138, 139, 140, 142, 143, 144,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 44 ILE QD1 70 VAL QG- 2.80 (# 455:25 Unique 1.77, 4.02 A)
&rst
ixpk= 455, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 713, 714, 715,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 42 ARG HB- 70 VAL QG- 3.50 (# 456:25 Unique 1.81, 4.60 A)
&rst
ixpk= 456, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 661, 662,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 44 ILE HB 70 VAL QG- 4.50 (# 457:25 Unique 2.05, 4.38 A)
&rst
ixpk= 457, nxpk= 25, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 70 VAL HB 70 VAL QG- 2.80 (# 458:25 Preassigned 2.22, 2.63 A)
&rst
ixpk= 458, nxpk= 25, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 8 LEU HG 70 VAL QG- 4.50 (# 459:25 Preassigned 1.94, 4.36 A)
&rst
ixpk= 459, nxpk= 25, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 42 ARG HD+ 70 VAL QG- 4.50 (# 460:25 Preassigned 2.16, 6.17 A)
&rst
ixpk= 460, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 667, 668,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 70 VAL HA 70 VAL QG- 3.50 (# 462:25 Preassigned 2.06, 3.18 A)
&rst
ixpk= 462, nxpk= 25, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 68 HIS HA 70 VAL QG- 5.50 (# 463:25 Preassigned 4.98, 7.14 A)
&rst
ixpk= 463, nxpk= 25, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 71 LEU HN 70 VAL QG- 3.50 (# 464:25 Preassigned 1.79, 3.61 A)
&rst
ixpk= 464, nxpk= 25, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 70 VAL HN 70 VAL QG- 4.50 (# 465:25 Preassigned 2.28, 4.13 A)
&rst
ixpk= 465, nxpk= 25, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 27 LYS HN 26 VAL QG- 4.50 (# 466:25 Preassigned 3.35, 4.44 A)
&rst
ixpk= 466, nxpk= 25, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 26 VAL HN 26 VAL QG- 3.50 (# 467:25 Preassigned 2.18, 3.78 A)
&rst
ixpk= 467, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 23 ILE HA 26 VAL QG- 4.50 (# 468:25 Preassigned 2.38, 4.04 A)
&rst
ixpk= 468, nxpk= 25, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 30 ILE HA 26 VAL QG- 5.50 (# 469:25 Preassigned 5.81, 7.81 A)
&rst
ixpk= 469, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 26 VAL HB 26 VAL QG- 2.80 (# 470:25 Preassigned 2.23, 2.63 A)
&rst
ixpk= 470, nxpk= 25, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 70 VAL HN 70 VAL QG+ 3.50 (# 471:25 Preassigned 2.28, 4.13 A)
&rst
ixpk= 471, nxpk= 25, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 71 LEU HN 70 VAL QG+ 4.50 (# 472:25 Preassigned 1.79, 3.61 A)
&rst
ixpk= 472, nxpk= 25, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 69 LEU HA 70 VAL QG+ 4.50 (# 473:25 Unique 3.44, 5.57 A)
&rst
ixpk= 473, nxpk= 25, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 70 VAL HA 70 VAL QG+ 3.50 (# 474:25 Preassigned 2.06, 3.18 A)
&rst
ixpk= 474, nxpk= 25, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 8 LEU HG 70 VAL QG+ 4.50 (# 475:25 Preassigned 1.94, 4.36 A)
&rst
ixpk= 475, nxpk= 25, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 70 VAL HB 70 VAL QG+ 2.80 (# 476:25 Preassigned 2.22, 2.63 A)
&rst
ixpk= 476, nxpk= 25, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 44 ILE HB 70 VAL QG+ 4.50 (# 477:25 Preassigned 2.05, 4.38 A)
&rst
ixpk= 477, nxpk= 25, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 42 ARG HB- 70 VAL QG+ 4.50 (# 478:25 Unique 1.81, 4.60 A)
&rst
ixpk= 478, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 661, 662,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 8 LEU QD- 70 VAL QG+ 3.50 (# 479:25 Preassigned 1.90, 5.39 A)
&rst
ixpk= 479, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 138, 139, 140, 142, 143, 144,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 8 LEU QD+ 70 VAL QG+ 3.50 (# 480:25 Preassigned 1.90, 5.39 A)
&rst
ixpk= 480, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 138, 139, 140, 142, 143, 144,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 44 ILE QD1 70 VAL QG+ 2.80 (# 481:25 Unique 1.77, 4.02 A)
&rst
ixpk= 481, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 713, 714, 715,
igr2=1122,1123,1124,1126,1127,1128,
&end
#
# 17 VAL HN 17 VAL QG- 4.50 (# 482:25 Preassigned 2.41, 3.76 A)
&rst
ixpk= 482, nxpk= 25, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 18 GLU HN 17 VAL QG- 3.50 (# 483:25 Preassigned 2.90, 3.91 A)
&rst
ixpk= 483, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 16 GLU HN 17 VAL QG- 4.50 (# 484:25 Preassigned 4.33, 5.60 A)
&rst
ixpk= 484, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 16 GLU HA 17 VAL QG- 4.50 (# 485:25 Preassigned 3.55, 4.99 A)
&rst
ixpk= 485, nxpk= 25, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 17 VAL HA 17 VAL QG- 3.50 (# 486:25 Preassigned 2.37, 3.32 A)
&rst
ixpk= 486, nxpk= 25, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 26 VAL HA 17 VAL QG- 4.50 (# 487:25 Preassigned 3.08, 4.83 A)
&rst
ixpk= 487, nxpk= 25, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 29 LYS HE+ 17 VAL QG- 3.50 (# 488:25 Preassigned 2.72, 5.08 A)
&rst
ixpk= 488, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 463, 464,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 29 LYS HE- 17 VAL QG- 4.50 (# 489:25 Preassigned 2.72, 5.08 A)
&rst
ixpk= 489, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 463, 464,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 17 VAL HB 17 VAL QG- 3.50 (# 490:25 Preassigned 2.36, 2.63 A)
&rst
ixpk= 490, nxpk= 25, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 18 GLU HG+ 17 VAL QG- 5.50 (# 491:25 Preassigned 3.80, 6.24 A)
&rst
ixpk= 491, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 295, 296,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 29 LYS HD+ 17 VAL QG- 3.50 (# 492:25 Preassigned 2.53, 5.00 A)
&rst
ixpk= 492, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 460, 461,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 1 MET QE 17 VAL QG- 4.50 (# 493:25 Preassigned 3.03, 6.30 A)
&rst
ixpk= 493, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 15, 16, 17,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 15 LEU HG 17 VAL QG- 3.50 (# 494:25 Preassigned 2.17, 3.77 A)
&rst
ixpk= 494, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 15 LEU HB+ 17 VAL QG- 3.50 (# 495:25 Preassigned 4.08, 5.56 A)
&rst
ixpk= 495, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 242, 243,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 26 VAL QG+ 17 VAL QG- 2.80 (# 496:25 Preassigned 2.81, 5.38 A)
&rst
ixpk= 496, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 408, 409, 410, 412, 413, 414,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 3 ILE QD1 17 VAL QG- 3.50 (# 497:25 Unique 2.05, 4.58 A)
&rst
ixpk= 497, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 51, 52, 53,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 0 AMB 25-3:498 12 THR QG2 4.50 (# 498:25 Single Ambig)
&rst
ixpk= 498, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87,
88, 89,
igr2= 197, 198, 199,
&end
#
# 13 ILE QG2 12 THR QG2 5.50 (# 499:25 Preassigned 4.91, 6.48 A)
&rst
ixpk= 499, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 211, 212, 213,
igr2= 197, 198, 199,
&end
#
# 66 THR QG2 12 THR QG2 4.50 (# 500:25 Preassigned 3.31, 5.28 A)
&rst
ixpk= 500, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1053,1054,1055,
igr2= 197, 198, 199,
&end
#
# 0 AMB 25-3:502 12 THR QG2 3.50 (# 502:25 Single Ambig)
&rst
ixpk= 502, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 100, 101, 97, 98,
igr2= 197, 198, 199,
&end
#
# 6 LYS HG+ 12 THR QG2 4.50 (# 503:25 Unique 2.55, 4.70 A)
&rst
ixpk= 503, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 100, 101,
igr2= 197, 198, 199,
&end
#
# 0 AMB 25-3:504 12 THR QG2 4.50 (# 504:25 Single Ambig)
&rst
ixpk= 504, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 97, 98, 103, 104, 103, 104,
igr2= 197, 198, 199,
&end
#
# 13 ILE HB 12 THR QG2 5.50 (# 505:25 Preassigned 5.71, 6.85 A)
&rst
ixpk= 505, nxpk= 25, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 197, 198, 199,
&end
#
# 4 PHE HB+ 12 THR QG2 3.50 (# 506:25 Preassigned 2.07, 2.99 A)
&rst
ixpk= 506, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 61, 62,
igr2= 197, 198, 199,
&end
#
# 4 PHE HB- 12 THR QG2 3.50 (# 507:25 Preassigned 2.07, 2.99 A)
&rst
ixpk= 507, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 61, 62,
igr2= 197, 198, 199,
&end
#
# 12 THR HB 12 THR QG2 2.80 (# 508:25 Preassigned 2.23, 2.64 A)
&rst
ixpk= 508, nxpk= 25, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 197, 198, 199,
&end
#
# 13 ILE HA 12 THR QG2 4.50 (# 509:25 Preassigned 4.25, 5.35 A)
&rst
ixpk= 509, nxpk= 25, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 197, 198, 199,
&end
#
# 12 THR HA 12 THR QG2 3.50 (# 510:25 Preassigned 2.22, 2.96 A)
&rst
ixpk= 510, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 197, 198, 199,
&end
#
# 6 LYS HA 12 THR QG2 4.50 (# 511:25 Preassigned 3.39, 4.16 A)
&rst
ixpk= 511, nxpk= 25, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 197, 198, 199,
&end
#
# 4 PHE HA 12 THR QG2 4.50 (# 512:25 Preassigned 3.19, 3.99 A)
&rst
ixpk= 512, nxpk= 25, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 197, 198, 199,
&end
#
# 4 PHE HD2 12 THR QG2 4.50 (# 513:25 Preassigned 4.02, 4.69 A)
&rst
ixpk= 513, nxpk= 25, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 197, 198, 199,
&end
#
# 0 AMB 25-3:514 12 THR QG2 5.50 (# 514:25 Single Ambig)
&rst
ixpk= 514, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 71, 67, 69,
igr2= 197, 198, 199,
&end
#
# 0 AMB 25-3:515 12 THR QG2 4.50 (# 515:25 Single Ambig)
&rst
ixpk= 515, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 191, 238,
igr2= 197, 198, 199,
&end
#
# 0 AMB 25-3:516 12 THR QG2 4.50 (# 516:25 Single Ambig)
&rst
ixpk= 516, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 224, 115,
igr2= 197, 198, 199,
&end
#
# 5 VAL HN 12 THR QG2 3.50 (# 517:25 Preassigned 3.71, 4.72 A)
&rst
ixpk= 517, nxpk= 25, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 197, 198, 199,
&end
#
# 13 ILE HN 12 THR QG2 3.50 (# 518:25 Preassigned 2.94, 4.07 A)
&rst
ixpk= 518, nxpk= 25, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 197, 198, 199,
&end
#
# 6 LYS HB+ 66 THR QG2 3.50 (# 520:25 Preassigned 2.66, 3.76 A)
&rst
ixpk= 520, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 97, 98,
igr2=1053,1054,1055,
&end
#
# 6 LYS HG+ 66 THR QG2 4.50 (# 521:25 Preassigned 4.36, 5.66 A)
&rst
ixpk= 521, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 100, 101,
igr2=1053,1054,1055,
&end
#
# 0 AMB 25-3:522 66 THR QG2 3.50 (# 522:25 Single Ambig)
&rst
ixpk= 522, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 97, 98, 103, 104, 103, 104,
igr2=1053,1054,1055,
&end
#
# 4 PHE HB+ 66 THR QG2 3.50 (# 523:25 Preassigned 2.76, 4.52 A)
&rst
ixpk= 523, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 61, 62,
igr2=1053,1054,1055,
&end
#
# 4 PHE HB- 66 THR QG2 3.50 (# 524:25 Preassigned 2.76, 4.52 A)
&rst
ixpk= 524, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 61, 62,
igr2=1053,1054,1055,
&end
#
# 66 THR HB 66 THR QG2 3.50 (# 525:25 Preassigned 2.39, 2.64 A)
&rst
ixpk= 525, nxpk= 25, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1053,1054,1055,
&end
#
# 5 VAL HA 66 THR QG2 4.50 (# 526:25 Preassigned 4.46, 5.32 A)
&rst
ixpk= 526, nxpk= 25, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1053,1054,1055,
&end
#
# 67 LEU HA 66 THR QG2 4.50 (# 527:25 Preassigned 4.01, 5.10 A)
&rst
ixpk= 527, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1053,1054,1055,
&end
#
# 66 THR HA 66 THR QG2 3.50 (# 528:25 Preassigned 2.57, 3.13 A)
&rst
ixpk= 528, nxpk= 25, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1053,1054,1055,
&end
#
# 4 PHE HD1 66 THR QG2 4.50 (# 529:25 Unique 3.85, 4.71 A)
&rst
ixpk= 529, nxpk= 25, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1053,1054,1055,
&end
#
# 68 HIS HE1 66 THR QG2 7.00 (# 530:25 Preassigned 3.87, 5.02 A)
&rst
ixpk= 530, nxpk= 25, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1053,1054,1055,
&end
#
# 4 PHE HN 66 THR QG2 4.50 (# 531:25 Preassigned 5.12, 5.91 A)
&rst
ixpk= 531, nxpk= 25, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1053,1054,1055,
&end
#
# 66 THR HN 66 THR QG2 4.50 (# 532:25 Preassigned 4.33, 4.61 A)
&rst
ixpk= 532, nxpk= 25, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1053,1054,1055,
&end
#
# 6 LYS HN 66 THR QG2 4.50 (# 533:25 Preassigned 3.15, 3.97 A)
&rst
ixpk= 533, nxpk= 25, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1053,1054,1055,
&end
#
# 67 LEU HN 66 THR QG2 3.50 (# 534:25 Preassigned 3.43, 4.14 A)
&rst
ixpk= 534, nxpk= 25, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1053,1054,1055,
&end
#
# 5 VAL HN 5 VAL QG+ 3.50 (# 535:25 Unique 2.19, 3.77 A)
&rst
ixpk= 535, nxpk= 25, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 6 LYS HN 5 VAL QG+ 4.50 (# 536:25 Preassigned 3.38, 4.86 A)
&rst
ixpk= 536, nxpk= 25, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 4 PHE HA 5 VAL QG+ 4.50 (# 537:25 Preassigned 3.88, 5.66 A)
&rst
ixpk= 537, nxpk= 25, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 66 THR HA 5 VAL QG+ 4.50 (# 538:25 Preassigned 5.06, 6.60 A)
&rst
ixpk= 538, nxpk= 25, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 5 VAL HA 5 VAL QG+ 3.50 (# 539:25 Preassigned 2.28, 3.12 A)
&rst
ixpk= 539, nxpk= 25, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 5 VAL HB 5 VAL QG+ 3.50 (# 540:25 Preassigned 2.22, 2.63 A)
&rst
ixpk= 540, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 67 LEU HG 5 VAL QG+ 3.50 (# 541:25 Preassigned 3.99, 5.26 A)
&rst
ixpk= 541, nxpk= 25, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 67 LEU HB+ 5 VAL QG+ 3.50 (# 542:25 Preassigned 2.14, 3.66 A)
&rst
ixpk= 542, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1065,1066,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 0 AMB 25-3:543 0 AMB 25-1:543 3.50 (# 543:25 Double Ambig)
&rst
ixpk= 543, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1065,1066,1101,1102,
igr2= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87,
88, 89,
&end
#
# 15 LEU HG 5 VAL QG+ 3.50 (# 544:25 Preassigned 3.93, 5.93 A)
&rst
ixpk= 544, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 0 AMB 25-3:545 0 AMB 25-1:545 4.50 (# 545:25 Double Ambig)
&rst
ixpk= 545, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 242, 243, 121, 122, 123,
igr2= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87,
88, 89,
&end
#
# 69 LEU HB+ 5 VAL QG+ 3.50 (# 546:25 Unique 2.34, 5.22 A)
&rst
ixpk= 546, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1101,1102,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 0 AMB 25-3:547 0 AMB 25-1:547 3.50 (# 547:25 Double Ambig)
&rst
ixpk= 547, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 485, 486, 487, 211, 212, 213,
igr2= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87,
88, 89,
&end
#
# 0 AMB 25-3:548 0 AMB 25-1:548 2.80 (# 548:25 Double Ambig)
&rst
ixpk= 548, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 51, 52, 53, 895, 896, 897, 899, 900, 901,
igr2= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
283, 284,
&end
#
# 3 ILE HG1+ 17 VAL QG+ 3.50 (# 549:25 Preassigned 1.99, 4.09 A)
&rst
ixpk= 549, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 48, 49,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 15 LEU HB+ 17 VAL QG+ 4.50 (# 550:25 Preassigned 4.08, 5.56 A)
&rst
ixpk= 550, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 242, 243,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 15 LEU HG 17 VAL QG+ 4.50 (# 551:25 Unique 2.17, 3.77 A)
&rst
ixpk= 551, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 29 LYS HD- 17 VAL QG+ 5.50 (# 552:25 Preassigned 2.53, 5.00 A)
&rst
ixpk= 552, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 460, 461,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 1 MET QE 17 VAL QG+ 3.50 (# 553:25 Preassigned 3.03, 6.30 A)
&rst
ixpk= 553, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 15, 16, 17,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 29 LYS HG- 17 VAL QG+ 4.50 (# 554:25 Unique 2.93, 5.43 A)
&rst
ixpk= 554, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 457, 458,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 1 MET HG- 17 VAL QG+ 3.50 (# 555:25 Preassigned 3.53, 6.10 A)
&rst
ixpk= 555, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 11, 12,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 0 AMB 25-3:556 0 AMB 25-1:556 4.50 (# 556:25 Double Ambig)
&rst
ixpk= 556, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 264, 265, 890, 891,
igr2= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
283, 284,
&end
#
# 17 VAL HB 17 VAL QG+ 3.50 (# 557:25 Preassigned 2.36, 2.63 A)
&rst
ixpk= 557, nxpk= 25, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 1 MET HG+ 17 VAL QG+ 3.50 (# 558:25 Preassigned 3.53, 6.10 A)
&rst
ixpk= 558, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 11, 12,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 0 AMB 25-3:559 0 AMB 25-1:559 4.50 (# 559:25 Double Ambig)
&rst
ixpk= 559, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1= 40, 313, 452,
igr2= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
283, 284, 278, 279, 280, 282, 283, 284,
&end
#
# 17 VAL HA 17 VAL QG+ 3.50 (# 560:25 Preassigned 2.37, 3.32 A)
&rst
ixpk= 560, nxpk= 25, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 16 GLU HA 17 VAL QG+ 4.50 (# 561:25 Preassigned 3.55, 4.99 A)
&rst
ixpk= 561, nxpk= 25, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 2 GLN HA 17 VAL QG+ 4.50 (# 562:25 Preassigned 3.20, 4.96 A)
&rst
ixpk= 562, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 3 ILE HN 17 VAL QG+ 4.50 (# 563:25 Preassigned 3.57, 5.31 A)
&rst
ixpk= 563, nxpk= 25, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 18 GLU HN 17 VAL QG+ 3.50 (# 564:25 Preassigned 2.90, 3.91 A)
&rst
ixpk= 564, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 17 VAL HN 17 VAL QG+ 3.50 (# 565:25 Preassigned 2.41, 3.76 A)
&rst
ixpk= 565, nxpk= 25, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 61 ILE QG2 3 ILE QG2 2.80 (# 566:25 Unique 2.02, 3.11 A)
&rst
ixpk= 566, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 969, 970, 971,
igr2= 44, 45, 46,
&end
#
# 3 ILE HG1+ 3 ILE QG2 3.50 (# 567:25 Preassigned 2.02, 3.32 A)
&rst
ixpk= 567, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 48, 49,
igr2= 44, 45, 46,
&end
#
# 56 LEU HB- 3 ILE QG2 4.50 (# 568:25 Unique 4.16, 5.51 A)
&rst
ixpk= 568, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 890, 891,
igr2= 44, 45, 46,
&end
#
# 0 AMB 25-3:569 3 ILE QG2 4.50 (# 569:25 Single Ambig)
&rst
ixpk= 569, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 967, 245,
igr2= 44, 45, 46,
&end
#
# 0 AMB 25-3:570 3 ILE QG2 4.50 (# 570:25 Single Ambig)
&rst
ixpk= 570, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1006,1007,1006,1007,
igr2= 44, 45, 46,
&end
#
# 1 MET QE 3 ILE QG2 2.80 (# 571:25 Preassigned 2.43, 3.99 A)
&rst
ixpk= 571, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 15, 16, 17,
igr2= 44, 45, 46,
&end
#
# 3 ILE HB 3 ILE QG2 2.80 (# 572:25 Preassigned 2.22, 2.63 A)
&rst
ixpk= 572, nxpk= 25, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 44, 45, 46,
&end
#
# 1 MET HG- 3 ILE QG2 3.50 (# 573:25 Preassigned 3.76, 5.16 A)
&rst
ixpk= 573, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 11, 12,
igr2= 44, 45, 46,
&end
#
# 0 AMB 25-3:574 3 ILE QG2 4.50 (# 574:25 Single Ambig)
&rst
ixpk= 574, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 890, 891, 8, 9,
igr2= 44, 45, 46,
&end
#
# 0 AMB 25-3:575 3 ILE QG2 4.50 (# 575:25 Single Ambig)
&rst
ixpk= 575, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 28, 29,1028,1029,1028,1029,
igr2= 44, 45, 46,
&end
#
# 1 MET HG+ 3 ILE QG2 4.50 (# 576:25 Preassigned 3.76, 5.16 A)
&rst
ixpk= 576, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 11, 12,
igr2= 44, 45, 46,
&end
#
# 64 GLU HA 3 ILE QG2 4.50 (# 577:25 Preassigned 4.01, 5.11 A)
&rst
ixpk= 577, nxpk= 25, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 44, 45, 46,
&end
#
# 65 SER HB- 3 ILE QG2 4.50 (# 578:25 Preassigned 1.96, 2.84 A)
&rst
ixpk= 578, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1040,1041,
igr2= 44, 45, 46,
&end
#
# 65 SER HB+ 3 ILE QG2 3.50 (# 579:25 Unique 1.96, 2.84 A)
&rst
ixpk= 579, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1040,1041,
igr2= 44, 45, 46,
&end
#
# 3 ILE HA 3 ILE QG2 3.50 (# 580:25 Preassigned 2.00, 2.83 A)
&rst
ixpk= 580, nxpk= 25, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 44, 45, 46,
&end
#
# 0 AMB 25-3:581 3 ILE QG2 4.50 (# 581:25 Single Ambig)
&rst
ixpk= 581, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 23,1049,
igr2= 44, 45, 46,
&end
#
# 65 SER HN 3 ILE QG2 3.50 (# 582:25 Preassigned 1.86, 2.89 A)
&rst
ixpk= 582, nxpk= 25, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 44, 45, 46,
&end
#
# 3 ILE HN 3 ILE QG2 4.50 (# 583:25 Preassigned 3.83, 4.36 A)
&rst
ixpk= 583, nxpk= 25, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 44, 45, 46,
&end
#
# 4 PHE HN 3 ILE QG2 3.50 (# 584:25 Preassigned 3.38, 4.13 A)
&rst
ixpk= 584, nxpk= 25, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 44, 45, 46,
&end
#
# 0 AMB 25-3:585 3 ILE QG2 5.50 (# 585:25 Single Ambig)
&rst
ixpk= 585, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 21, 272,
igr2= 44, 45, 46,
&end
#
# 64 GLU HN 3 ILE QG2 4.50 (# 586:25 Preassigned 3.68, 4.75 A)
&rst
ixpk= 586, nxpk= 25, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 44, 45, 46,
&end
#
# 65 SER HN 61 ILE QG2 4.50 (# 587:25 Preassigned 4.05, 4.53 A)
&rst
ixpk= 587, nxpk= 25, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 969, 970, 971,
&end
#
# 62 GLN HN 61 ILE QG2 3.50 (# 588:25 Preassigned 3.22, 4.26 A)
&rst
ixpk= 588, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 969, 970, 971,
&end
#
# 0 AMB 25-3:589 61 ILE QG2 4.50 (# 589:25 Single Ambig)
&rst
ixpk= 589, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 729, 731, 733,
igr2= 969, 970, 971,
&end
#
# 0 AMB 25-3:590 61 ILE QG2 3.50 (# 590:25 Single Ambig)
&rst
ixpk= 590, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 963, 994, 995, 727,
igr2= 969, 970, 971,
&end
#
# 62 GLN HA 61 ILE QG2 5.50 (# 591:25 Preassigned 4.00, 4.84 A)
&rst
ixpk= 591, nxpk= 25, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 969, 970, 971,
&end
#
# 56 LEU HA 61 ILE QG2 4.50 (# 592:25 Preassigned 3.73, 4.56 A)
&rst
ixpk= 592, nxpk= 25, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 969, 970, 971,
&end
#
# 65 SER HB+ 61 ILE QG2 3.50 (# 593:25 Preassigned 1.94, 2.77 A)
&rst
ixpk= 593, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1040,1041,
igr2= 969, 970, 971,
&end
#
# 65 SER HB- 61 ILE QG2 3.50 (# 594:25 Preassigned 1.94, 2.77 A)
&rst
ixpk= 594, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1040,1041,
igr2= 969, 970, 971,
&end
#
# 61 ILE HA 61 ILE QG2 3.50 (# 595:25 Preassigned 2.45, 3.15 A)
&rst
ixpk= 595, nxpk= 25, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 969, 970, 971,
&end
#
# 62 GLN HG- 61 ILE QG2 4.50 (# 596:25 Preassigned 5.14, 6.70 A)
&rst
ixpk= 596, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 989, 990,
igr2= 969, 970, 971,
&end
#
# 56 LEU HB+ 61 ILE QG2 4.50 (# 597:25 Preassigned 1.88, 3.74 A)
&rst
ixpk= 597, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 890, 891,
igr2= 969, 970, 971,
&end
#
# 0 AMB 25-3:598 61 ILE QG2 4.50 (# 598:25 Single Ambig)
&rst
ixpk= 598, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 986, 987, 986, 987,1003,1004,
igr2= 969, 970, 971,
&end
#
# 0 AMB 25-3:599 61 ILE QG2 4.50 (# 599:25 Single Ambig)
&rst
ixpk= 599, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 42, 893,
igr2= 969, 970, 971,
&end
#
# 1 MET QE 61 ILE QG2 3.50 (# 600:25 Preassigned 2.48, 3.89 A)
&rst
ixpk= 600, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 15, 16, 17,
igr2= 969, 970, 971,
&end
#
# 61 ILE HB 61 ILE QG2 3.50 (# 601:25 Preassigned 2.22, 2.63 A)
&rst
ixpk= 601, nxpk= 25, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 969, 970, 971,
&end
#
# 61 ILE HG1+ 61 ILE QG2 3.50 (# 602:25 Preassigned 2.11, 3.38 A)
&rst
ixpk= 602, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 973, 974,
igr2= 969, 970, 971,
&end
#
# 0 AMB 25-3:603 61 ILE QG2 2.80 (# 603:25 Single Ambig)
&rst
ixpk= 603, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 44, 45, 46, 895, 896, 897, 899, 900, 901,
igr2= 969, 970, 971,
&end
#
# 61 ILE HG1- 61 ILE QG2 3.50 (# 604:25 Preassigned 2.11, 3.38 A)
&rst
ixpk= 604, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 973, 974,
igr2= 969, 970, 971,
&end
#
# 30 ILE QD1 30 ILE QG2 2.80 (# 605:25 Preassigned 2.52, 4.05 A)
&rst
ixpk= 605, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 485, 486, 487,
igr2= 478, 479, 480,
&end
#
# 69 LEU HB+ 30 ILE QG2 4.50 (# 606:25 Unique 2.63, 4.22 A)
&rst
ixpk= 606, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1101,1102,
igr2= 478, 479, 480,
&end
#
# 36 ILE HB 30 ILE QG2 3.50 (# 607:25 Preassigned 3.77, 4.85 A)
&rst
ixpk= 607, nxpk= 25, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 478, 479, 480,
&end
#
# 0 AMB 25-3:608 30 ILE QG2 3.50 (# 608:25 Single Ambig)
&rst
ixpk= 608, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 546, 547, 647, 648,
igr2= 478, 479, 480,
&end
#
# 0 AMB 25-3:609 30 ILE QG2 4.50 (# 609:25 Single Ambig)
&rst
ixpk= 609, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 524, 525, 644, 645, 644, 645,
igr2= 478, 479, 480,
&end
#
# 30 ILE HG1+ 30 ILE QG2 3.50 (# 610:25 Preassigned 2.07, 3.35 A)
&rst
ixpk= 610, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 482, 483,
igr2= 478, 479, 480,
&end
#
# 30 ILE HB 30 ILE QG2 3.50 (# 611:25 Preassigned 2.28, 2.63 A)
&rst
ixpk= 611, nxpk= 25, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 478, 479, 480,
&end
#
# 30 ILE HA 30 ILE QG2 3.50 (# 613:25 Preassigned 2.24, 2.99 A)
&rst
ixpk= 613, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 478, 479, 480,
&end
#
# 27 LYS HA 30 ILE QG2 4.50 (# 614:25 Preassigned 4.68, 5.28 A)
&rst
ixpk= 614, nxpk= 25, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 478, 479, 480,
&end
#
# 41 GLN HE2+ 30 ILE QG2 4.50 (# 615:25 Preassigned 3.46, 4.61 A)
&rst
ixpk= 615, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 652, 653,
igr2= 478, 479, 480,
&end
#
# 41 GLN HE2- 30 ILE QG2 4.50 (# 616:25 Preassigned 3.46, 4.61 A)
&rst
ixpk= 616, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 652, 653,
igr2= 478, 479, 480,
&end
#
# 30 ILE HN 30 ILE QG2 4.50 (# 617:25 Preassigned 4.32, 4.51 A)
&rst
ixpk= 617, nxpk= 25, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 478, 479, 480,
&end
#
# 0 AMB 25-3:618 30 ILE QG2 4.50 (# 618:25 Single Ambig)
&rst
ixpk= 618, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 491, 557,
igr2= 478, 479, 480,
&end
#
# 51 GLU HN 23 ILE QG2 5.50 (# 619:25 Preassigned 3.37, 4.50 A)
&rst
ixpk= 619, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 360, 361, 362,
&end
#
# 0 AMB 25-3:620 23 ILE QG2 4.50 (# 620:25 Single Ambig)
&rst
ixpk= 620, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 829, 402,
igr2= 360, 361, 362,
&end
#
# 22 THR HB 23 ILE QG2 5.50 (# 621:25 Preassigned 6.16, 6.54 A)
&rst
ixpk= 621, nxpk= 25, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 360, 361, 362,
&end
#
# 51 GLU HA 23 ILE QG2 5.50 (# 622:25 Preassigned 3.61, 4.58 A)
&rst
ixpk= 622, nxpk= 25, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 360, 361, 362,
&end
#
# 52 ASP HA 23 ILE QG2 3.50 (# 623:25 Preassigned 2.71, 3.58 A)
&rst
ixpk= 623, nxpk= 25, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 360, 361, 362,
&end
#
# 0 AMB 25-3:624 23 ILE QG2 4.50 (# 624:25 Single Ambig)
&rst
ixpk= 624, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 797, 888,
igr2= 360, 361, 362,
&end
#
# 24 GLU HA 23 ILE QG2 4.50 (# 625:25 Preassigned 3.81, 4.81 A)
&rst
ixpk= 625, nxpk= 25, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 360, 361, 362,
&end
#
# 23 ILE HA 23 ILE QG2 3.50 (# 626:25 Preassigned 2.33, 3.08 A)
&rst
ixpk= 626, nxpk= 25, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 360, 361, 362,
&end
#
# 23 ILE HB 23 ILE QG2 2.80 (# 627:25 Preassigned 2.22, 2.63 A)
&rst
ixpk= 627, nxpk= 25, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 360, 361, 362,
&end
#
# 26 VAL HB 23 ILE QG2 4.50 (# 628:25 Unique 2.87, 3.97 A)
&rst
ixpk= 628, nxpk= 25, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 360, 361, 362,
&end
#
# 0 AMB 25-3:629 23 ILE QG2 4.50 (# 629:25 Single Ambig)
&rst
ixpk= 629, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 852, 853, 818, 819, 604, 605,
igr2= 360, 361, 362,
&end
#
# 23 ILE HG1+ 23 ILE QG2 3.50 (# 630:25 Preassigned 2.02, 3.34 A)
&rst
ixpk= 630, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 364, 365,
igr2= 360, 361, 362,
&end
#
# 50 LEU HB+ 23 ILE QG2 3.50 (# 631:25 Unique 2.06, 3.63 A)
&rst
ixpk= 631, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 799, 800,
igr2= 360, 361, 362,
&end
#
# 23 ILE HG1- 23 ILE QG2 3.50 (# 632:25 Preassigned 2.02, 3.34 A)
&rst
ixpk= 632, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 364, 365,
igr2= 360, 361, 362,
&end
#
# 26 VAL QG+ 23 ILE QG2 3.50 (# 633:25 Preassigned 4.14, 5.83 A)
&rst
ixpk= 633, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 408, 409, 410, 412, 413, 414,
igr2= 360, 361, 362,
&end
#
# 23 ILE QD1 23 ILE QG2 2.80 (# 634:25 Preassigned 2.51, 4.07 A)
&rst
ixpk= 634, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 367, 368, 369,
igr2= 360, 361, 362,
&end
#
# 40 GLN HN 36 ILE QG2 4.50 (# 635:25 Preassigned 4.18, 5.00 A)
&rst
ixpk= 635, nxpk= 25, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 570, 571, 572,
&end
#
# 41 GLN HN 36 ILE QG2 4.50 (# 636:25 Preassigned 4.15, 4.79 A)
&rst
ixpk= 636, nxpk= 25, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 570, 571, 572,
&end
#
# 41 GLN HE2- 36 ILE QG2 4.50 (# 637:25 Preassigned 3.37, 5.23 A)
&rst
ixpk= 637, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 652, 653,
igr2= 570, 571, 572,
&end
#
# 36 ILE HN 36 ILE QG2 4.50 (# 638:25 Preassigned 4.39, 4.63 A)
&rst
ixpk= 638, nxpk= 25, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 570, 571, 572,
&end
#
# 41 GLN HE2+ 36 ILE QG2 4.50 (# 639:25 Preassigned 3.37, 5.23 A)
&rst
ixpk= 639, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 652, 653,
igr2= 570, 571, 572,
&end
#
# 36 ILE HA 36 ILE QG2 3.50 (# 640:25 Preassigned 2.65, 3.08 A)
&rst
ixpk= 640, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 570, 571, 572,
&end
#
# 41 GLN HA 36 ILE QG2 4.50 (# 641:25 Unique 2.75, 3.57 A)
&rst
ixpk= 641, nxpk= 25, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 570, 571, 572,
&end
#
# 37 PRO HD+ 36 ILE QG2 3.50 (# 642:25 Preassigned 2.07, 3.50 A)
&rst
ixpk= 642, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 584, 585,
igr2= 570, 571, 572,
&end
#
# 37 PRO HD- 36 ILE QG2 3.50 (# 643:25 Preassigned 2.07, 3.50 A)
&rst
ixpk= 643, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 584, 585,
igr2= 570, 571, 572,
&end
#
# 41 GLN HG+ 36 ILE QG2 3.50 (# 644:25 Preassigned 2.51, 4.28 A)
&rst
ixpk= 644, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 647, 648,
igr2= 570, 571, 572,
&end
#
# 0 AMB 25-3:645 36 ILE QG2 5.50 (# 645:25 Single Ambig)
&rst
ixpk= 645, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 498, 499, 546, 547,
igr2= 570, 571, 572,
&end
#
# 0 AMB 25-3:646 36 ILE QG2 4.50 (# 646:25 Single Ambig)
&rst
ixpk= 646, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 590, 591, 498, 499, 495, 496,
igr2= 570, 571, 572,
&end
#
# 40 GLN HB- 36 ILE QG2 4.50 (# 647:25 Preassigned 3.71, 5.01 A)
&rst
ixpk= 647, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 627, 628,
igr2= 570, 571, 572,
&end
#
# 0 AMB 25-3:649 36 ILE QG2 2.80 (# 649:25 Single Ambig)
&rst
ixpk= 649, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 574, 575, 568,
igr2= 570, 571, 572,
&end
#
# 36 ILE HG1+ 36 ILE QG2 3.50 (# 650:25 Preassigned 2.28, 3.46 A)
&rst
ixpk= 650, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 574, 575,
igr2= 570, 571, 572,
&end
#
# 36 ILE QD1 36 ILE QG2 2.80 (# 651:25 Unique 2.14, 3.73 A)
&rst
ixpk= 651, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 577, 578, 579,
igr2= 570, 571, 572,
&end
#
# 13 ILE HN 13 ILE QG2 4.50 (# 652:25 Preassigned 1.92, 2.60 A)
&rst
ixpk= 652, nxpk= 25, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 211, 212, 213,
&end
#
# 5 VAL HN 13 ILE QG2 4.50 (# 653:25 Preassigned 3.14, 4.23 A)
&rst
ixpk= 653, nxpk= 25, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 211, 212, 213,
&end
#
# 0 AMB 25-3:654 13 ILE QG2 3.50 (# 654:25 Single Ambig)
&rst
ixpk= 654, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 115, 224,
igr2= 211, 212, 213,
&end
#
# 0 AMB 25-3:655 13 ILE QG2 4.50 (# 655:25 Single Ambig)
&rst
ixpk= 655, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 191, 542, 238,
igr2= 211, 212, 213,
&end
#
# 5 VAL HA 13 ILE QG2 4.50 (# 656:25 Preassigned 4.32, 5.18 A)
&rst
ixpk= 656, nxpk= 25, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 211, 212, 213,
&end
#
# 13 ILE HA 13 ILE QG2 3.50 (# 657:25 Preassigned 3.57, 3.85 A)
&rst
ixpk= 657, nxpk= 25, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 211, 212, 213,
&end
#
# 30 ILE HA 13 ILE QG2 4.50 (# 658:25 Preassigned 4.28, 5.18 A)
&rst
ixpk= 658, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 211, 212, 213,
&end
#
# 0 AMB 25-3:659 13 ILE QG2 4.50 (# 659:25 Single Ambig)
&rst
ixpk= 659, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 533, 534, 533, 534,
igr2= 211, 212, 213,
&end
#
# 0 AMB 25-3:660 13 ILE QG2 4.50 (# 660:25 Single Ambig)
&rst
ixpk= 660, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 182, 183, 182, 183,
igr2= 211, 212, 213,
&end
#
# 34 GLU HG- 13 ILE QG2 4.50 (# 661:25 Preassigned 2.80, 4.04 A)
&rst
ixpk= 661, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 549, 550,
igr2= 211, 212, 213,
&end
#
# 30 ILE HG1+ 13 ILE QG2 4.50 (# 662:25 Preassigned 5.39, 6.53 A)
&rst
ixpk= 662, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 482, 483,
igr2= 211, 212, 213,
&end
#
# 13 ILE HB 13 ILE QG2 2.80 (# 663:25 Preassigned 2.40, 2.63 A)
&rst
ixpk= 663, nxpk= 25, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 211, 212, 213,
&end
#
# 0 AMB 25-3:664 13 ILE QG2 3.50 (# 664:25 Single Ambig)
&rst
ixpk= 664, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 530, 531, 530, 531, 546, 547, 173, 174,
igr2= 211, 212, 213,
&end
#
# 0 AMB 25-3:665 13 ILE QG2 3.50 (# 665:25 Single Ambig)
&rst
ixpk= 665, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 179, 180, 179, 180,
igr2= 211, 212, 213,
&end
#
# 13 ILE HG1+ 13 ILE QG2 3.50 (# 666:25 Preassigned 3.06, 3.65 A)
&rst
ixpk= 666, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 215, 216,
igr2= 211, 212, 213,
&end
#
# 0 AMB 25-3:667 13 ILE QG2 3.50 (# 667:25 Single Ambig)
&rst
ixpk= 667, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 121, 122, 123, 176, 177,
igr2= 211, 212, 213,
&end
#
# 13 ILE HG1- 13 ILE QG2 3.50 (# 668:25 Preassigned 3.06, 3.65 A)
&rst
ixpk= 668, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 215, 216,
igr2= 211, 212, 213,
&end
#
# 13 ILE QD1 13 ILE QG2 2.80 (# 669:25 Preassigned 1.99, 3.17 A)
&rst
ixpk= 669, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 218, 219, 220,
igr2= 211, 212, 213,
&end
#
# 50 LEU QD+ 44 ILE QG2 4.50 (# 670:25 Preassigned 4.31, 7.14 A)
&rst
ixpk= 670, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 706, 707, 708,
&end
#
# 44 ILE HG1- 44 ILE QG2 2.80 (# 671:25 Preassigned 2.58, 3.55 A)
&rst
ixpk= 671, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 710, 711,
igr2= 706, 707, 708,
&end
#
# 44 ILE HG1+ 44 ILE QG2 3.50 (# 672:25 Preassigned 2.58, 3.55 A)
&rst
ixpk= 672, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 710, 711,
igr2= 706, 707, 708,
&end
#
# 0 AMB 25-3:673 44 ILE QG2 4.50 (# 673:25 Single Ambig)
&rst
ixpk= 673, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 763, 764, 763, 764, 802, 664, 665,
igr2= 706, 707, 708,
&end
#
# 44 ILE HB 44 ILE QG2 2.80 (# 675:25 Preassigned 2.28, 2.63 A)
&rst
ixpk= 675, nxpk= 25, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 706, 707, 708,
&end
#
# 0 AMB 25-3:676 44 ILE QG2 3.50 (# 676:25 Single Ambig)
&rst
ixpk= 676, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 782, 783, 760, 761, 760, 761,1120,
igr2= 706, 707, 708,
&end
#
# 68 HIS HB- 44 ILE QG2 4.50 (# 678:25 Preassigned 1.98, 3.55 A)
&rst
ixpk= 678, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1084,1085,
igr2= 706, 707, 708,
&end
#
# 68 HIS HB+ 44 ILE QG2 4.50 (# 679:25 Unique 1.98, 3.55 A)
&rst
ixpk= 679, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1084,1085,
igr2= 706, 707, 708,
&end
#
# 45 PHE HB+ 44 ILE QG2 4.50 (# 680:25 Preassigned 4.80, 5.73 A)
&rst
ixpk= 680, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 723, 724,
igr2= 706, 707, 708,
&end
#
# 47 GLY HA+ 44 ILE QG2 3.50 (# 681:25 Preassigned 3.15, 4.24 A)
&rst
ixpk= 681, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 751, 752,
igr2= 706, 707, 708,
&end
#
# 46 ALA HA 44 ILE QG2 4.50 (# 682:25 Preassigned 4.91, 5.56 A)
&rst
ixpk= 682, nxpk= 25, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 706, 707, 708,
&end
#
# 47 GLY HA- 44 ILE QG2 4.50 (# 684:25 Preassigned 3.15, 4.24 A)
&rst
ixpk= 684, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 751, 752,
igr2= 706, 707, 708,
&end
#
# 0 AMB 25-3:685 44 ILE QG2 4.50 (# 685:25 Single Ambig)
&rst
ixpk= 685, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 780, 758,
igr2= 706, 707, 708,
&end
#
# 44 ILE HA 44 ILE QG2 3.50 (# 686:25 Preassigned 2.57, 3.26 A)
&rst
ixpk= 686, nxpk= 25, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 706, 707, 708,
&end
#
# 45 PHE HA 44 ILE QG2 4.50 (# 687:25 Preassigned 3.26, 4.25 A)
&rst
ixpk= 687, nxpk= 25, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 706, 707, 708,
&end
#
# 48 LYS HN 44 ILE QG2 3.50 (# 688:25 Preassigned 2.84, 3.77 A)
&rst
ixpk= 688, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 706, 707, 708,
&end
#
# 47 GLY HN 44 ILE QG2 3.50 (# 689:25 Preassigned 2.69, 3.18 A)
&rst
ixpk= 689, nxpk= 25, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 706, 707, 708,
&end
#
# 45 PHE HN 44 ILE QG2 3.50 (# 690:25 Unique 2.27, 3.17 A)
&rst
ixpk= 690, nxpk= 25, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 706, 707, 708,
&end
#
# 68 HIS HN 44 ILE QG2 4.50 (# 691:25 Preassigned 4.04, 5.23 A)
&rst
ixpk= 691, nxpk= 25, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 706, 707, 708,
&end
#
# 44 ILE HN 44 ILE QG2 4.50 (# 692:25 Preassigned 3.98, 4.56 A)
&rst
ixpk= 692, nxpk= 25, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 706, 707, 708,
&end
#
# 0 AMB 25-3:693 46 ALA QB 4.50 (# 693:25 Single Ambig)
&rst
ixpk= 693, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 763, 764, 763, 764,
igr2= 743, 744, 745,
&end
#
# 0 AMB 25-3:694 46 ALA QB 4.50 (# 694:25 Single Ambig)
&rst
ixpk= 694, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 760, 761, 760, 761, 766, 767,
igr2= 743, 744, 745,
&end
#
# 0 AMB 25-3:695 46 ALA QB 4.50 (# 695:25 Single Ambig)
&rst
ixpk= 695, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 769, 770, 769, 770,
igr2= 743, 744, 745,
&end
#
# 46 ALA HA 46 ALA QB 2.80 (# 696:25 Preassigned 2.28, 2.63 A)
&rst
ixpk= 696, nxpk= 25, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 743, 744, 745,
&end
#
# 45 PHE HA 46 ALA QB 4.50 (# 697:25 Preassigned 4.32, 4.97 A)
&rst
ixpk= 697, nxpk= 25, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 743, 744, 745,
&end
#
# 45 PHE HD2 46 ALA QB 3.50 (# 698:25 Preassigned 3.68, 4.79 A)
&rst
ixpk= 698, nxpk= 25, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 743, 744, 745,
&end
#
# 0 AMB 25-3:699 46 ALA QB 4.50 (# 699:25 Single Ambig)
&rst
ixpk= 699, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 733, 729,
igr2= 743, 744, 745,
&end
#
# 48 LYS HN 46 ALA QB 4.50 (# 700:25 Preassigned 3.70, 4.38 A)
&rst
ixpk= 700, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 743, 744, 745,
&end
#
# 47 GLY HN 46 ALA QB 4.50 (# 701:25 Preassigned 4.31, 4.47 A)
&rst
ixpk= 701, nxpk= 25, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 743, 744, 745,
&end
#
# 46 ALA HN 46 ALA QB 3.50 (# 702:25 Preassigned 3.12, 3.52 A)
&rst
ixpk= 702, nxpk= 25, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 743, 744, 745,
&end
#
# 0 AMB 25-3:703 30 ILE QD1 2.80 (# 703:25 Single Ambig)
&rst
ixpk= 703, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87,
88, 89, 482, 483, 247, 248, 249, 251, 252, 253,
478, 479, 480, 218, 219, 220,
igr2= 485, 486, 487,
&end
#
# 0 AMB 25-3:704 30 ILE QD1 3.50 (# 704:25 Single Ambig)
&rst
ixpk= 704, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 215, 216, 460, 461,
igr2= 485, 486, 487,
&end
#
# 0 AMB 25-3:705 30 ILE QD1 3.50 (# 705:25 Single Ambig)
&rst
ixpk= 705, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 527, 528, 527, 528, 457, 458,1065,1066,
igr2= 485, 486, 487,
&end
#
# 30 ILE HG1+ 30 ILE QD1 2.80 (# 706:25 Preassigned 2.25, 2.62 A)
&rst
ixpk= 706, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 482, 483,
igr2= 485, 486, 487,
&end
#
# 30 ILE HB 30 ILE QD1 3.50 (# 707:25 Preassigned 3.60, 3.86 A)
&rst
ixpk= 707, nxpk= 25, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 485, 486, 487,
&end
#
# 27 LYS HA 30 ILE QD1 3.50 (# 709:25 Preassigned 4.19, 4.68 A)
&rst
ixpk= 709, nxpk= 25, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 485, 486, 487,
&end
#
# 30 ILE HN 30 ILE QD1 3.50 (# 710:25 Preassigned 2.00, 2.91 A)
&rst
ixpk= 710, nxpk= 25, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 485, 486, 487,
&end
#
# 0 AMB 25-3:711 30 ILE QD1 4.50 (# 711:25 Single Ambig)
&rst
ixpk= 711, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 491, 418,
igr2= 485, 486, 487,
&end
#
# 36 ILE QG2 36 ILE QD1 2.80 (# 712:25 Preassigned 2.14, 3.73 A)
&rst
ixpk= 712, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 570, 571, 572,
igr2= 577, 578, 579,
&end
#
# 36 ILE HG1+ 36 ILE QD1 2.80 (# 713:25 Preassigned 2.30, 2.62 A)
&rst
ixpk= 713, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 574, 575,
igr2= 577, 578, 579,
&end
#
# 7 THR QG2 36 ILE QD1 4.50 (# 714:25 Preassigned 4.16, 6.01 A)
&rst
ixpk= 714, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 121, 122, 123,
igr2= 577, 578, 579,
&end
#
# 0 AMB 25-3:715 36 ILE QD1 2.80 (# 715:25 Single Ambig)
&rst
ixpk= 715, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 574, 575, 568,
igr2= 577, 578, 579,
&end
#
# 34 GLU HB- 36 ILE QD1 3.50 (# 716:25 Preassigned 2.80, 4.18 A)
&rst
ixpk= 716, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 546, 547,
igr2= 577, 578, 579,
&end
#
# 34 GLU HG+ 36 ILE QD1 4.50 (# 718:25 Preassigned 3.81, 5.48 A)
&rst
ixpk= 718, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 549, 550,
igr2= 577, 578, 579,
&end
#
# 34 GLU HG- 36 ILE QD1 4.50 (# 719:25 Preassigned 3.81, 5.48 A)
&rst
ixpk= 719, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 549, 550,
igr2= 577, 578, 579,
&end
#
# 34 GLU HB+ 36 ILE QD1 3.50 (# 720:25 Preassigned 2.80, 4.18 A)
&rst
ixpk= 720, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 546, 547,
igr2= 577, 578, 579,
&end
#
# 0 AMB 25-3:721 36 ILE QD1 4.50 (# 721:25 Single Ambig)
&rst
ixpk= 721, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 630, 631, 630, 631,
igr2= 577, 578, 579,
&end
#
# 41 GLN HG+ 36 ILE QD1 4.50 (# 722:25 Preassigned 3.50, 5.07 A)
&rst
ixpk= 722, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 647, 648,
igr2= 577, 578, 579,
&end
#
# 37 PRO HD- 36 ILE QD1 4.50 (# 723:25 Preassigned 5.00, 6.18 A)
&rst
ixpk= 723, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 584, 585,
igr2= 577, 578, 579,
&end
#
# 36 ILE HA 36 ILE QD1 4.50 (# 724:25 Unique 4.42, 4.68 A)
&rst
ixpk= 724, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 577, 578, 579,
&end
#
# 34 GLU HA 36 ILE QD1 5.50 (# 725:25 Preassigned 5.24, 6.20 A)
&rst
ixpk= 725, nxpk= 25, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 577, 578, 579,
&end
#
# 36 ILE HN 36 ILE QD1 3.50 (# 726:25 Preassigned 4.01, 4.62 A)
&rst
ixpk= 726, nxpk= 25, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 577, 578, 579,
&end
#
# 70 VAL QG- 44 ILE QD1 2.80 (# 729:25 Preassigned 1.77, 4.02 A)
&rst
ixpk= 729, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1122,1123,1124,1126,1127,1128,
igr2= 713, 714, 715,
&end
#
# 44 ILE HG1+ 44 ILE QD1 2.80 (# 730:25 Preassigned 2.21, 2.62 A)
&rst
ixpk= 730, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 710, 711,
igr2= 713, 714, 715,
&end
#
# 0 AMB 25-3:731 44 ILE QD1 3.50 (# 731:25 Single Ambig)
&rst
ixpk= 731, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 664, 665, 664, 665,
igr2= 713, 714, 715,
&end
#
# 42 ARG HB- 44 ILE QD1 4.50 (# 732:25 Preassigned 4.39, 6.52 A)
&rst
ixpk= 732, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 661, 662,
igr2= 713, 714, 715,
&end
#
# 44 ILE HB 44 ILE QD1 3.50 (# 733:25 Preassigned 2.52, 3.25 A)
&rst
ixpk= 733, nxpk= 25, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 713, 714, 715,
&end
#
# 0 AMB 25-3:734 44 ILE QD1 3.50 (# 734:25 Single Ambig)
&rst
ixpk= 734, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1120, 782, 783, 661, 662,
igr2= 713, 714, 715,
&end
#
# 0 AMB 25-3:735 44 ILE QD1 3.50 (# 735:25 Single Ambig)
&rst
ixpk= 735, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 785, 786, 785, 786,
igr2= 713, 714, 715,
&end
#
# 68 HIS HB- 44 ILE QD1 4.50 (# 736:25 Preassigned 3.52, 5.05 A)
&rst
ixpk= 736, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1084,1085,
igr2= 713, 714, 715,
&end
#
# 49 GLN HA 44 ILE QD1 4.50 (# 738:25 Preassigned 4.20, 4.89 A)
&rst
ixpk= 738, nxpk= 25, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 713, 714, 715,
&end
#
# 44 ILE HA 44 ILE QD1 4.50 (# 739:25 Preassigned 4.06, 4.47 A)
&rst
ixpk= 739, nxpk= 25, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 713, 714, 715,
&end
#
# 0 AMB 25-3:740 44 ILE QD1 5.50 (# 740:25 Single Ambig)
&rst
ixpk= 740, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1082,1099, 721,
igr2= 713, 714, 715,
&end
#
# 50 LEU HN 44 ILE QD1 5.50 (# 741:25 Preassigned 6.05, 6.55 A)
&rst
ixpk= 741, nxpk= 25, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 713, 714, 715,
&end
#
# 0 AMB 25-3:742 44 ILE QD1 4.50 (# 742:25 Single Ambig)
&rst
ixpk= 742, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 719, 681, 739,
igr2= 713, 714, 715,
&end
#
# 44 ILE HN 44 ILE QD1 4.50 (# 743:25 Preassigned 4.61, 5.31 A)
&rst
ixpk= 743, nxpk= 25, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 713, 714, 715,
&end
#
# 15 LEU HN 3 ILE QD1 4.50 (# 744:25 Unique 4.19, 4.85 A)
&rst
ixpk= 744, nxpk= 25, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 51, 52, 53,
&end
#
# 4 PHE HN 3 ILE QD1 4.50 (# 745:25 Preassigned 4.77, 5.60 A)
&rst
ixpk= 745, nxpk= 25, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 51, 52, 53,
&end
#
# 3 ILE HN 3 ILE QD1 4.50 (# 746:25 Preassigned 4.21, 4.44 A)
&rst
ixpk= 746, nxpk= 25, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 51, 52, 53,
&end
#
# 0 AMB 25-3:747 3 ILE QD1 4.50 (# 747:25 Single Ambig)
&rst
ixpk= 747, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 23,1049,
igr2= 51, 52, 53,
&end
#
# 3 ILE HA 3 ILE QD1 4.50 (# 748:25 Preassigned 4.67, 5.04 A)
&rst
ixpk= 748, nxpk= 25, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 51, 52, 53,
&end
#
# 0 AMB 25-3:749 3 ILE QD1 4.50 (# 749:25 Single Ambig)
&rst
ixpk= 749, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 276, 406,
igr2= 51, 52, 53,
&end
#
# 0 AMB 25-3:750 3 ILE QD1 4.50 (# 750:25 Single Ambig)
&rst
ixpk= 750, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 81, 454, 455,
igr2= 51, 52, 53,
&end
#
# 0 AMB 25-3:751 3 ILE QD1 3.50 (# 751:25 Single Ambig)
&rst
ixpk= 751, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1065,1066, 15, 16, 17, 457, 458,
igr2= 51, 52, 53,
&end
#
# 3 ILE HB 3 ILE QD1 3.50 (# 752:25 Preassigned 2.26, 2.91 A)
&rst
ixpk= 752, nxpk= 25, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 51, 52, 53,
&end
#
# 15 LEU HG 3 ILE QD1 4.50 (# 753:25 Unique 2.40, 3.24 A)
&rst
ixpk= 753, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 51, 52, 53,
&end
#
# 0 AMB 25-3:754 3 ILE QD1 4.50 (# 754:25 Single Ambig)
&rst
ixpk= 754, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 242, 243, 890, 891,
igr2= 51, 52, 53,
&end
#
# 3 ILE HG1+ 3 ILE QD1 2.80 (# 755:25 Preassigned 2.33, 2.62 A)
&rst
ixpk= 755, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 48, 49,
igr2= 51, 52, 53,
&end
#
# 0 AMB 25-3:756 3 ILE QD1 2.80 (# 756:25 Single Ambig)
&rst
ixpk= 756, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 247, 248, 249, 251, 252, 253, 278, 279, 280, 282,
283, 284, 83, 84, 85, 87, 88, 89, 83, 84,
85, 87, 88, 89, 408, 409, 410, 412, 413, 414,
igr2= 51, 52, 53,
&end
#
# 17 VAL QG+ 3 ILE QD1 2.80 (# 757:25 Unique 2.05, 4.58 A)
&rst
ixpk= 757, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 51, 52, 53,
&end
#
# 13 ILE QG2 13 ILE QD1 2.80 (# 758:25 Preassigned 1.99, 3.17 A)
&rst
ixpk= 758, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 211, 212, 213,
igr2= 218, 219, 220,
&end
#
# 13 ILE HG1- 13 ILE QD1 2.80 (# 759:25 Preassigned 2.37, 2.62 A)
&rst
ixpk= 759, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 215, 216,
igr2= 218, 219, 220,
&end
#
# 15 LEU HB+ 13 ILE QD1 3.50 (# 760:25 Unique 2.42, 4.04 A)
&rst
ixpk= 760, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 242, 243,
igr2= 218, 219, 220,
&end
#
# 15 LEU HB- 13 ILE QD1 4.50 (# 761:25 Unique 2.42, 4.04 A)
&rst
ixpk= 761, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 242, 243,
igr2= 218, 219, 220,
&end
#
# 13 ILE HG1+ 13 ILE QD1 3.50 (# 762:25 Preassigned 2.37, 2.62 A)
&rst
ixpk= 762, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 215, 216,
igr2= 218, 219, 220,
&end
#
# 0 AMB 25-3:763 13 ILE QD1 3.50 (# 763:25 Single Ambig)
&rst
ixpk= 763, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 527, 528, 527, 528,
igr2= 218, 219, 220,
&end
#
# 13 ILE HB 13 ILE QD1 3.50 (# 764:25 Preassigned 3.36, 3.74 A)
&rst
ixpk= 764, nxpk= 25, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 218, 219, 220,
&end
#
# 5 VAL HB 13 ILE QD1 3.50 (# 765:25 Preassigned 2.33, 3.37 A)
&rst
ixpk= 765, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 218, 219, 220,
&end
#
# 0 AMB 25-3:766 13 ILE QD1 3.50 (# 766:25 Single Ambig)
&rst
ixpk= 766, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 524, 525, 549, 550,
igr2= 218, 219, 220,
&end
#
# 34 GLU HG- 13 ILE QD1 3.50 (# 767:25 Preassigned 2.94, 4.70 A)
&rst
ixpk= 767, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 549, 550,
igr2= 218, 219, 220,
&end
#
# 34 GLU HB+ 13 ILE QD1 4.50 (# 768:25 Preassigned 5.09, 6.59 A)
&rst
ixpk= 768, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 546, 547,
igr2= 218, 219, 220,
&end
#
# 0 AMB 25-3:769 13 ILE QD1 4.50 (# 769:25 Single Ambig)
&rst
ixpk= 769, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 182, 183, 182, 183,
igr2= 218, 219, 220,
&end
#
# 30 ILE HA 13 ILE QD1 4.50 (# 770:25 Preassigned 2.81, 3.46 A)
&rst
ixpk= 770, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 218, 219, 220,
&end
#
# 13 ILE HA 13 ILE QD1 4.50 (# 771:25 Preassigned 4.26, 4.66 A)
&rst
ixpk= 771, nxpk= 25, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 218, 219, 220,
&end
#
# 12 THR HA 13 ILE QD1 5.50 (# 772:25 Preassigned 6.15, 6.96 A)
&rst
ixpk= 772, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 218, 219, 220,
&end
#
# 0 AMB 25-3:774 13 ILE QD1 5.50 (# 774:25 Single Ambig)
&rst
ixpk= 774, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 238, 542,
igr2= 218, 219, 220,
&end
#
# 14 THR HN 13 ILE QD1 4.50 (# 775:25 Preassigned 4.74, 5.29 A)
&rst
ixpk= 775, nxpk= 25, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 218, 219, 220,
&end
#
# 13 ILE HN 13 ILE QD1 4.50 (# 776:25 Preassigned 4.06, 4.83 A)
&rst
ixpk= 776, nxpk= 25, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 218, 219, 220,
&end
#
# 23 ILE HN 23 ILE QD1 3.50 (# 777:25 Preassigned 2.05, 3.01 A)
&rst
ixpk= 777, nxpk= 25, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 367, 368, 369,
&end
#
# 56 LEU HN 23 ILE QD1 4.50 (# 778:25 Unique 3.10, 3.83 A)
&rst
ixpk= 778, nxpk= 25, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 367, 368, 369,
&end
#
# 59 TYR HD1 23 ILE QD1 3.50 (# 779:25 Preassigned 2.20, 3.29 A)
&rst
ixpk= 779, nxpk= 25, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 367, 368, 369,
&end
#
# 59 TYR HE1 23 ILE QD1 3.50 (# 780:25 Preassigned 2.28, 3.13 A)
&rst
ixpk= 780, nxpk= 25, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 367, 368, 369,
&end
#
# 55 THR HA 23 ILE QD1 4.50 (# 781:25 Preassigned 2.30, 3.50 A)
&rst
ixpk= 781, nxpk= 25, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 367, 368, 369,
&end
#
# 56 LEU HA 23 ILE QD1 3.50 (# 782:25 Preassigned 3.06, 3.55 A)
&rst
ixpk= 782, nxpk= 25, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 367, 368, 369,
&end
#
# 23 ILE HA 23 ILE QD1 3.50 (# 783:25 Preassigned 1.92, 2.66 A)
&rst
ixpk= 783, nxpk= 25, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 367, 368, 369,
&end
#
# 0 AMB 25-3:784 23 ILE QD1 3.50 (# 784:25 Single Ambig)
&rst
ixpk= 784, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 358, 932, 933,
igr2= 367, 368, 369,
&end
#
# 26 VAL HB 23 ILE QD1 4.50 (# 785:25 Preassigned 3.50, 4.50 A)
&rst
ixpk= 785, nxpk= 25, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 367, 368, 369,
&end
#
# 54 ARG HB+ 23 ILE QD1 4.50 (# 786:25 Preassigned 3.99, 4.67 A)
&rst
ixpk= 786, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 852, 853,
igr2= 367, 368, 369,
&end
#
# 54 ARG HB- 23 ILE QD1 4.50 (# 787:25 Preassigned 3.99, 4.67 A)
&rst
ixpk= 787, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 852, 853,
igr2= 367, 368, 369,
&end
#
# 23 ILE HG1+ 23 ILE QD1 3.50 (# 788:25 Preassigned 2.27, 2.62 A)
&rst
ixpk= 788, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 364, 365,
igr2= 367, 368, 369,
&end
#
# 56 LEU HG 23 ILE QD1 3.50 (# 789:25 Preassigned 3.95, 4.47 A)
&rst
ixpk= 789, nxpk= 25, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 367, 368, 369,
&end
#
# 50 LEU HB+ 23 ILE QD1 3.50 (# 790:25 Preassigned 2.92, 4.15 A)
&rst
ixpk= 790, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 799, 800,
igr2= 367, 368, 369,
&end
#
# 23 ILE HG1- 23 ILE QD1 3.50 (# 791:25 Preassigned 2.27, 2.62 A)
&rst
ixpk= 791, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 364, 365,
igr2= 367, 368, 369,
&end
#
# 26 VAL QG+ 23 ILE QD1 3.50 (# 792:25 Preassigned 3.25, 5.35 A)
&rst
ixpk= 792, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 408, 409, 410, 412, 413, 414,
igr2= 367, 368, 369,
&end
#
# 0 AMB 25-3:793 23 ILE QD1 2.80 (# 793:25 Single Ambig)
&rst
ixpk= 793, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 895, 896, 897, 899, 900, 901, 360, 361, 362, 690,
691, 692, 694, 695, 696, 690, 691, 692, 694, 695,
696,
igr2= 367, 368, 369,
&end
#
# 61 ILE QD1 23 ILE QD1 3.50 (# 794:25 Preassigned 3.59, 4.86 A)
&rst
ixpk= 794, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 976, 977, 978,
igr2= 367, 368, 369,
&end
#
# 50 LEU QD- 23 ILE QD1 4.50 (# 795:25 Preassigned 1.98, 5.10 A)
&rst
ixpk= 795, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 367, 368, 369,
&end
#
# 43 LEU HN 43 LEU HB+ 4.50 (# 796:25 Preassigned 2.15, 2.80 A)
&rst
ixpk= 796, nxpk= 25, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 685, 686,
&end
#
# 43 LEU HA 43 LEU HB+ 3.50 (# 797:25 Preassigned 2.80, 2.84 A)
&rst
ixpk= 797, nxpk= 25, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 685, 686,
&end
#
# 67 LEU HB+ 43 LEU HB+ 5.50 (# 798:25 Preassigned 5.35, 6.47 A)
&rst
ixpk= 798, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1065,1066,
igr2= 685, 686,
&end
#
# 0 AMB 25-3:799 0 AMB 25-1:799 4.50 (# 799:25 Double Ambig)
&rst
ixpk= 799, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
1075,1076,
igr2= 685, 686, 685, 686,
&end
#
# 0 AMB 25-3:800 0 AMB 25-1:800 3.50 (# 800:25 Double Ambig)
&rst
ixpk= 800, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
695, 696, 360, 361, 362,
igr2= 685, 686, 685, 686, 685, 686,
&end
#
# 50 LEU QD+ 43 LEU HB+ 3.50 (# 801:25 Preassigned 1.87, 4.34 A)
&rst
ixpk= 801, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 685, 686,
&end
#
# 69 LEU HN 69 LEU HB+ 4.50 (# 802:25 Preassigned 2.22, 2.59 A)
&rst
ixpk= 802, nxpk= 25, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1101,1102,
&end
#
# 69 LEU HA 69 LEU HB+ 3.50 (# 803:25 Unique 2.30, 2.66 A)
&rst
ixpk= 803, nxpk= 25, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1101,1102,
&end
#
# 69 LEU HG 69 LEU HB+ 3.50 (# 804:25 Preassigned 2.30, 2.44 A)
&rst
ixpk= 804, nxpk= 25, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1101,1102,
&end
#
# 69 LEU QD+ 69 LEU HB+ 3.50 (# 805:25 Unique 2.08, 3.47 A)
&rst
ixpk= 805, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1106,1107,1108,1110,1111,1112,
igr2=1101,1102,
&end
#
# 0 AMB 25-3:806 0 AMB 25-1:806 3.50 (# 806:25 Double Ambig)
&rst
ixpk= 806, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr1=1106,1107,1108,1110,1111,1112, 83, 84, 85, 87,
88, 89, 83, 84, 85, 87, 88, 89, 478, 479,
480,
igr2=1101,1102,1101,1102,1101,1102,1101,1102,
&end
#
# 50 LEU HA 50 LEU HB- 4.50 (# 807:25 Preassigned 2.28, 2.65 A)
&rst
ixpk= 807, nxpk= 25, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 799, 800,
&end
#
# 0 AMB 25-3:808 50 LEU HB- 4.50 (# 808:25 Single Ambig)
&rst
ixpk= 808, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 360, 361, 362, 690, 691, 692, 694, 695, 696,
igr2= 799, 800,
&end
#
# 0 AMB 25-3:809 50 LEU HB- 3.50 (# 809:25 Single Ambig)
&rst
ixpk= 809, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 804, 805, 806, 808, 809, 810, 367, 368, 369,
igr2= 799, 800,
&end
#
# 50 LEU QD- 50 LEU HB- 4.50 (# 810:25 Preassigned 2.12, 3.28 A)
&rst
ixpk= 810, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 799, 800,
&end
#
# 61 ILE QG2 56 LEU HB- 4.50 (# 811:25 Unique 1.88, 3.74 A)
&rst
ixpk= 811, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 969, 970, 971,
igr2= 890, 891,
&end
#
# 56 LEU QD+ 56 LEU HB- 3.50 (# 812:25 Preassigned 2.23, 3.32 A)
&rst
ixpk= 812, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 895, 896, 897, 899, 900, 901,
igr2= 890, 891,
&end
#
# 56 LEU QD- 56 LEU HB- 3.50 (# 813:25 Preassigned 2.23, 3.32 A)
&rst
ixpk= 813, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 895, 896, 897, 899, 900, 901,
igr2= 890, 891,
&end
#
# 61 ILE HB 56 LEU HB- 4.50 (# 814:25 Preassigned 1.99, 2.76 A)
&rst
ixpk= 814, nxpk= 25, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 890, 891,
&end
#
# 0 AMB 25-3:815 56 LEU HB- 3.50 (# 815:25 Single Ambig)
&rst
ixpk= 815, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 313, 888,
igr2= 890, 891,
&end
#
# 56 LEU HN 56 LEU HB- 4.50 (# 816:25 Preassigned 2.42, 3.07 A)
&rst
ixpk= 816, nxpk= 25, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 890, 891,
&end
#
# 64 GLU HN 1 MET HA 5.50 (# 817:25 Preassigned 4.90, 4.96 A)
&rst
ixpk= 817, nxpk= 25, iat=1021, 6, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 ILE HN 1 MET HA 7.00 (# 818:25 Preassigned 6.60, 6.62 A)
&rst
ixpk= 818, nxpk= 25, iat= 38, 6, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 2 GLN HA 1 MET HA 5.50 (# 819:25 Preassigned 4.51, 4.52 A)
&rst
ixpk= 819, nxpk= 25, iat= 23, 6, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 LYS HA 1 MET HA 5.50 (# 820:25 Preassigned 4.81, 4.86 A)
&rst
ixpk= 820, nxpk= 25, iat=1001, 6, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:821 1 MET HA 5.50 (# 821:25 Single Ambig)
&rst
ixpk= 821, nxpk= 25, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1012,1013,1012,1013,
&end
#
# 1 MET HG+ 1 MET HA 4.50 (# 822:25 Preassigned 3.58, 3.64 A)
&rst
ixpk= 822, nxpk= 25, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 11, 12,
&end
#
# 0 AMB 25-3:823 1 MET HA 4.50 (# 823:25 Single Ambig)
&rst
ixpk= 823, nxpk= 25, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 264, 265,1028,1029,1028,1029,
&end
#
# 0 AMB 25-3:824 1 MET HA 4.50 (# 824:25 Single Ambig)
&rst
ixpk= 824, nxpk= 25, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 25, 26, 15, 16, 17,
&end
#
# 0 AMB 25-3:825 1 MET HA 5.50 (# 825:25 Single Ambig)
&rst
ixpk= 825, nxpk= 25, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1006,1007,1006,1007,
&end
#
# 3 ILE QG2 1 MET HA 7.00 (# 826:25 Preassigned 6.88, 7.94 A)
&rst
ixpk= 826, nxpk= 25, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 44, 45, 46,
&end
#
# 3 ILE QG2 1 MET HG+ 4.50 (# 828:25 Preassigned 3.76, 5.16 A)
&rst
ixpk= 828, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 44, 45, 46,
igr2= 11, 12,
&end
#
# 17 VAL QG- 1 MET HG+ 5.50 (# 829:25 Preassigned 3.53, 6.10 A)
&rst
ixpk= 829, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 11, 12,
&end
#
# 3 ILE HG1+ 1 MET HG+ 7.00 (# 830:25 Preassigned 4.31, 5.17 A)
&rst
ixpk= 830, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 48, 49,
igr2= 11, 12,
&end
#
# 56 LEU HB- 1 MET HG+ 5.50 (# 831:25 Unique 6.32, 6.79 A)
&rst
ixpk= 831, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 890, 891,
igr2= 11, 12,
&end
#
# 0 AMB 25-3:832 0 AMB 25-1:832 5.50 (# 832:25 Double Ambig)
&rst
ixpk= 832, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1006,1007,1006,1007,
igr2= 11, 12, 11, 12,
&end
#
# 0 AMB 25-3:833 0 AMB 25-1:833 5.50 (# 833:25 Double Ambig)
&rst
ixpk= 833, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1009,1010, 42, 893,
igr2= 11, 12, 11, 12, 11, 12,
&end
#
# 0 AMB 25-3:834 0 AMB 25-1:834 5.50 (# 834:25 Double Ambig)
&rst
ixpk= 834, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
igr1= 28, 29,1028,1029,1028,1029, 264, 265,
igr2= 11, 12, 11, 12, 11, 12, 11, 12,
&end
#
# 19 PRO HD- 1 MET HG+ 5.50 (# 835:25 Preassigned 2.28, 4.43 A)
&rst
ixpk= 835, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 304, 305,
igr2= 11, 12,
&end
#
# 63 LYS HA 1 MET HG+ 4.50 (# 836:25 Preassigned 1.96, 2.93 A)
&rst
ixpk= 836, nxpk= 25, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 11, 12,
&end
#
# 1 MET HA 1 MET HG+ 4.50 (# 837:25 Preassigned 3.58, 3.64 A)
&rst
ixpk= 837, nxpk= 25, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 11, 12,
&end
#
# 18 GLU HA 1 MET HG+ 5.50 (# 839:25 Preassigned 2.32, 3.80 A)
&rst
ixpk= 839, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 11, 12,
&end
#
# 2 GLN HA 1 MET HG+ 7.00 (# 840:25 Preassigned 3.31, 3.65 A)
&rst
ixpk= 840, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 11, 12,
&end
#
# 0 AMB 25-3:841 0 AMB 25-1:841 4.50 (# 841:25 Double Ambig)
&rst
ixpk= 841, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 21, 272,
igr2= 11, 12, 11, 12,
&end
#
# 64 GLU HN 1 MET HG+ 5.50 (# 842:25 Preassigned 3.12, 4.24 A)
&rst
ixpk= 842, nxpk= 25, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 11, 12,
&end
#
# 18 GLU HN 18 GLU HB+ 4.50 (# 843:25 Preassigned 2.41, 3.40 A)
&rst
ixpk= 843, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 292, 293,
&end
#
# 21 ASP HN 18 GLU HB+ 5.50 (# 844:25 Preassigned 2.87, 3.94 A)
&rst
ixpk= 844, nxpk= 25, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 292, 293,
&end
#
# 20 SER HN 18 GLU HB+ 4.50 (# 845:25 Preassigned 2.16, 3.02 A)
&rst
ixpk= 845, nxpk= 25, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 292, 293,
&end
#
# 18 GLU HA 18 GLU HB+ 3.50 (# 846:25 Preassigned 2.24, 2.55 A)
&rst
ixpk= 846, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 292, 293,
&end
#
# 0 AMB 25-3:847 0 AMB 25-1:847 5.50 (# 847:25 Double Ambig)
&rst
ixpk= 847, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 274, 330,
igr2= 292, 293, 292, 293,
&end
#
# 0 AMB 25-3:848 0 AMB 25-1:848 5.50 (# 848:25 Double Ambig)
&rst
ixpk= 848, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 321, 322, 313,
igr2= 292, 293, 292, 293,
&end
#
# 19 PRO HD- 18 GLU HB+ 4.50 (# 849:25 Preassigned 2.14, 3.37 A)
&rst
ixpk= 849, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 304, 305,
igr2= 292, 293,
&end
#
# 21 ASP HB- 18 GLU HB+ 5.50 (# 850:25 Preassigned 3.37, 4.93 A)
&rst
ixpk= 850, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 332, 333,
igr2= 292, 293,
&end
#
# 18 GLU HG- 18 GLU HB+ 3.50 (# 851:25 Preassigned 2.29, 2.66 A)
&rst
ixpk= 851, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 295, 296,
igr2= 292, 293,
&end
#
# 64 GLU HN 1 MET QE 5.50 (# 852:25 Preassigned 4.24, 5.30 A)
&rst
ixpk= 852, nxpk= 25, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 0 AMB 25-3:853 1 MET QE 4.50 (# 853:25 Single Ambig)
&rst
ixpk= 853, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 272, 21,
igr2= 15, 16, 17,
&end
#
# 18 GLU HN 1 MET QE 5.50 (# 854:25 Preassigned 4.30, 5.33 A)
&rst
ixpk= 854, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 63 LYS HN 1 MET QE 3.50 (# 855:25 Unique 1.91, 2.74 A)
&rst
ixpk= 855, nxpk= 25, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 15, 16, 17,
&end
#
# 0 AMB 25-3:856 0 AMB 25-1:856 4.50 (# 856:25 Double Ambig)
&rst
ixpk= 856, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 472, 38,
igr2= 444, 445, 446, 15, 16, 17,
&end
#
# 0 AMB 25-3:857 28 ALA QB 4.50 (# 857:25 Single Ambig)
&rst
ixpk= 857, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 402, 508,
igr2= 444, 445, 446,
&end
#
# 28 ALA HN 28 ALA QB 2.80 (# 858:25 Preassigned 2.10, 2.88 A)
&rst
ixpk= 858, nxpk= 25, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 444, 445, 446,
&end
#
# 65 SER HN 1 MET QE 5.50 (# 859:25 Preassigned 4.30, 5.47 A)
&rst
ixpk= 859, nxpk= 25, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 62 GLN HN 1 MET QE 5.50 (# 860:25 Preassigned 4.84, 5.83 A)
&rst
ixpk= 860, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 61 ILE HN 1 MET QE 5.50 (# 861:25 Preassigned 5.99, 6.85 A)
&rst
ixpk= 861, nxpk= 25, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 20 SER HN 1 MET QE 5.50 (# 862:25 Preassigned 4.51, 5.61 A)
&rst
ixpk= 862, nxpk= 25, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 41 GLN HE2- 28 ALA QB 7.00 (# 863:25 Preassigned 6.03, 6.70 A)
&rst
ixpk= 863, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 652, 653,
igr2= 444, 445, 446,
&end
#
# 2 GLN HA 1 MET QE 7.00 (# 864:25 Preassigned 4.46, 5.58 A)
&rst
ixpk= 864, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 15, 16, 17,
&end
#
# 18 GLU HA 1 MET QE 5.50 (# 865:25 Preassigned 3.36, 4.32 A)
&rst
ixpk= 865, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 17 VAL HA 1 MET QE 5.50 (# 867:25 Preassigned 5.55, 6.72 A)
&rst
ixpk= 867, nxpk= 25, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 25 ASN HA 28 ALA QB 3.50 (# 868:25 Preassigned 2.91, 3.91 A)
&rst
ixpk= 868, nxpk= 25, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 444, 445, 446,
&end
#
# 0 AMB 25-3:869 0 AMB 25-1:869 2.80 (# 869:25 Double Ambig)
&rst
ixpk= 869, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 313, 442,
igr2= 15, 16, 17, 444, 445, 446,
&end
#
# 63 LYS HA 1 MET QE 4.50 (# 870:25 Unique 2.15, 3.32 A)
&rst
ixpk= 870, nxpk= 25, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 15, 16, 17,
&end
#
# 19 PRO HD- 1 MET QE 4.50 (# 871:25 Preassigned 2.89, 4.30 A)
&rst
ixpk= 871, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 304, 305,
igr2= 15, 16, 17,
&end
#
# 0 AMB 25-3:872 0 AMB 25-1:872 5.50 (# 872:25 Double Ambig)
&rst
ixpk= 872, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 965, 404,1023,
igr2= 15, 16, 17, 444, 445, 446,
&end
#
# 25 ASN HB+ 28 ALA QB 5.50 (# 873:25 Preassigned 4.75, 6.02 A)
&rst
ixpk= 873, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 392, 393,
igr2= 444, 445, 446,
&end
#
# 0 AMB 25-3:874 0 AMB 25-1:874 5.50 (# 874:25 Double Ambig)
&rst
ixpk= 874, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 463, 464, 332, 333,
igr2= 444, 445, 446, 15, 16, 17,
&end
#
# 0 AMB 25-3:875 28 ALA QB 5.50 (# 875:25 Single Ambig)
&rst
ixpk= 875, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 392, 393, 512, 513,
igr2= 444, 445, 446,
&end
#
# 32 ASP HB- 28 ALA QB 5.50 (# 876:25 Preassigned 5.32, 6.94 A)
&rst
ixpk= 876, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 512, 513,
igr2= 444, 445, 446,
&end
#
# 1 MET HG+ 1 MET QE 3.50 (# 877:25 Preassigned 2.22, 3.26 A)
&rst
ixpk= 877, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 11, 12,
igr2= 15, 16, 17,
&end
#
# 19 PRO HG+ 1 MET QE 3.50 (# 878:25 Preassigned 4.00, 5.14 A)
&rst
ixpk= 878, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 307, 308,
igr2= 15, 16, 17,
&end
#
# 19 PRO HG- 1 MET QE 3.50 (# 879:25 Preassigned 4.00, 5.14 A)
&rst
ixpk= 879, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 307, 308,
igr2= 15, 16, 17,
&end
#
# 1 MET HG- 1 MET QE 3.50 (# 880:25 Preassigned 2.22, 3.26 A)
&rst
ixpk= 880, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 11, 12,
igr2= 15, 16, 17,
&end
#
# 0 AMB 25-3:881 0 AMB 25-1:881 3.50 (# 881:25 Double Ambig)
&rst
ixpk= 881, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 457, 458, 893,
igr2= 444, 445, 446, 15, 16, 17,
&end
#
# 0 AMB 25-3:882 1 MET QE 4.50 (# 882:25 Single Ambig)
&rst
ixpk= 882, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1006,1007,1006,1007,
igr2= 15, 16, 17,
&end
#
# 61 ILE HB 1 MET QE 5.50 (# 883:25 Preassigned 4.16, 4.93 A)
&rst
ixpk= 883, nxpk= 25, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 15, 16, 17,
&end
#
# 0 AMB 25-3:884 28 ALA QB 4.50 (# 884:25 Single Ambig)
&rst
ixpk= 884, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 422, 423, 460, 461,
igr2= 444, 445, 446,
&end
#
# 56 LEU HB- 1 MET QE 4.50 (# 885:25 Preassigned 3.19, 4.00 A)
&rst
ixpk= 885, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 890, 891,
igr2= 15, 16, 17,
&end
#
# 56 LEU QD- 1 MET QE 3.50 (# 887:25 Preassigned 2.01, 4.64 A)
&rst
ixpk= 887, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 895, 896, 897, 899, 900, 901,
igr2= 15, 16, 17,
&end
#
# 0 AMB 25-3:888 1 MET QE 3.50 (# 888:25 Single Ambig)
&rst
ixpk= 888, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 895, 896, 897, 899, 900, 901, 44, 45, 46,
igr2= 15, 16, 17,
&end
#
# 0 AMB 25-3:889 1 MET QE 3.50 (# 889:25 Single Ambig)
&rst
ixpk= 889, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 969, 970, 971, 278, 279, 280, 282, 283, 284,
igr2= 15, 16, 17,
&end
#
# 13 ILE HN 6 LYS HA 4.50 (# 890:25 Preassigned 2.92, 3.01 A)
&rst
ixpk= 890, nxpk= 25, iat= 205, 95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:891 0 AMB 25-1:891 5.50 (# 891:25 Double Ambig)
&rst
ixpk= 891, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1021, 77,
igr2= 23, 95,
&end
#
# 6 LYS HN 6 LYS HA 4.50 (# 892:25 Preassigned 2.86, 2.87 A)
&rst
ixpk= 892, nxpk= 25, iat= 93, 95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:893 2 GLN HA 4.50 (# 893:25 Single Ambig)
&rst
ixpk= 893, nxpk= 25, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 272, 21,
&end
#
# 7 THR HN 6 LYS HA 3.50 (# 894:25 Preassigned 2.14, 2.15 A)
&rst
ixpk= 894, nxpk= 25, iat= 115, 95, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:895 0 AMB 25-1:895 4.50 (# 895:25 Double Ambig)
&rst
ixpk= 895, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 191, 238,
igr2= 95, 23,
&end
#
# 4 PHE HN 2 GLN HA 7.00 (# 896:25 Preassigned 6.40, 6.43 A)
&rst
ixpk= 896, nxpk= 25, iat= 57, 23, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 3 ILE HN 2 GLN HA 3.50 (# 897:25 Preassigned 2.35, 2.39 A)
&rst
ixpk= 897, nxpk= 25, iat= 38, 23, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:898 0 AMB 25-1:898 5.50 (# 898:25 Double Ambig)
&rst
ixpk= 898, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 257, 162,
igr2= 23, 95,
&end
#
# 11 LYS HN 6 LYS HA 7.00 (# 899:25 Preassigned 4.40, 4.55 A)
&rst
ixpk= 899, nxpk= 25, iat= 169, 95, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 THR HA 6 LYS HA 3.50 (# 900:25 Preassigned 1.86, 1.91 A)
&rst
ixpk= 900, nxpk= 25, iat= 193, 95, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 GLU HA 2 GLN HA 4.50 (# 901:25 Preassigned 1.86, 1.90 A)
&rst
ixpk= 901, nxpk= 25, iat= 259, 23, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:902 0 AMB 25-1:902 4.50 (# 902:25 Double Ambig)
&rst
ixpk= 902, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 79, 240,
igr2= 95, 23,
&end
#
# 3 ILE HA 2 GLN HA 5.50 (# 903:25 Preassigned 4.45, 4.46 A)
&rst
ixpk= 903, nxpk= 25, iat= 40, 23, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 LYS HA 2 GLN HA 7.00 (# 904:25 Preassigned 5.09, 5.16 A)
&rst
ixpk= 904, nxpk= 25, iat=1001, 23, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 64 GLU HA 2 GLN HA 7.00 (# 905:25 Preassigned 5.87, 5.90 A)
&rst
ixpk= 905, nxpk= 25, iat=1023, 23, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:906 6 LYS HA 5.50 (# 906:25 Single Ambig)
&rst
ixpk= 906, nxpk= 25, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 106, 107, 106, 107, 61, 62,
&end
#
# 1 MET HG+ 2 GLN HA 7.00 (# 907:25 Preassigned 3.31, 3.65 A)
&rst
ixpk= 907, nxpk= 25, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 11, 12,
&end
#
# 0 AMB 25-3:908 2 GLN HA 4.50 (# 908:25 Single Ambig)
&rst
ixpk= 908, nxpk= 25, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 264, 265, 28, 29,
&end
#
# 16 GLU HG+ 2 GLN HA 5.50 (# 909:25 Preassigned 3.35, 3.83 A)
&rst
ixpk= 909, nxpk= 25, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 264, 265,
&end
#
# 17 VAL QG+ 2 GLN HA 5.50 (# 910:25 Preassigned 3.20, 4.96 A)
&rst
ixpk= 910, nxpk= 25, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 0 AMB 25-3:911 0 AMB 25-1:911 3.50 (# 911:25 Double Ambig)
&rst
ixpk= 911, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 25, 26, 97, 98, 179, 180,
igr2= 23, 95,
&end
#
# 6 LYS HG+ 6 LYS HA 4.50 (# 912:25 Preassigned 2.25, 2.63 A)
&rst
ixpk= 912, nxpk= 25, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 100, 101,
&end
#
# 0 AMB 25-3:913 6 LYS HA 4.50 (# 913:25 Single Ambig)
&rst
ixpk= 913, nxpk= 25, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 100, 101, 97, 98,
&end
#
# 0 AMB 25-3:914 6 LYS HA 4.50 (# 914:25 Single Ambig)
&rst
ixpk= 914, nxpk= 25, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 176, 177, 121, 122, 123,
&end
#
# 0 AMB 25-3:915 0 AMB 25-1:915 4.50 (# 915:25 Double Ambig)
&rst
ixpk= 915, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 197, 198, 199, 48, 49,
igr2= 95, 23,
&end
#
# 66 THR QG2 6 LYS HA 4.50 (# 916:25 Preassigned 4.94, 5.77 A)
&rst
ixpk= 916, nxpk= 25, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1053,1054,1055,
&end
#
# 3 ILE HG1- 2 GLN HA 4.50 (# 917:25 Preassigned 3.52, 3.64 A)
&rst
ixpk= 917, nxpk= 25, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 48, 49,
&end
#
# 3 ILE QG2 2 GLN HA 4.50 (# 918:25 Preassigned 4.34, 5.30 A)
&rst
ixpk= 918, nxpk= 25, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 44, 45, 46,
&end
#
# 17 VAL QG- 2 GLN HA 4.50 (# 919:25 Preassigned 3.20, 4.96 A)
&rst
ixpk= 919, nxpk= 25, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 2 GLN HB- 2 GLN HA 3.50 (# 920:25 Unique 2.30, 2.46 A)
&rst
ixpk= 920, nxpk= 25, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 25, 26,
&end
#
# 1 MET HG+ 2 GLN HG+ 7.00 (# 921:25 Preassigned 5.00, 6.26 A)
&rst
ixpk= 921, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 11, 12,
igr2= 28, 29,
&end
#
# 14 THR HB 2 GLN HG+ 5.50 (# 922:25 Preassigned 4.14, 4.55 A)
&rst
ixpk= 922, nxpk= 25, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 28, 29,
&end
#
# 1 MET HA 2 GLN HG+ 5.50 (# 923:25 Preassigned 5.74, 5.87 A)
&rst
ixpk= 923, nxpk= 25, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 28, 29,
&end
#
# 16 GLU HA 2 GLN HG+ 5.50 (# 924:25 Preassigned 4.58, 4.69 A)
&rst
ixpk= 924, nxpk= 25, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 28, 29,
&end
#
# 2 GLN HE2- 2 GLN HG+ 4.50 (# 925:25 Preassigned 2.36, 3.39 A)
&rst
ixpk= 925, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 33, 34,
igr2= 28, 29,
&end
#
# 0 AMB 25-3:926 0 AMB 25-1:926 5.50 (# 926:25 Double Ambig)
&rst
ixpk= 926, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 71, 69,
igr2= 28, 29, 28, 29,
&end
#
# 65 SER HN 2 GLN HG+ 4.50 (# 927:25 Preassigned 4.58, 5.51 A)
&rst
ixpk= 927, nxpk= 25, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 28, 29,
&end
#
# 3 ILE HN 2 GLN HG+ 4.50 (# 928:25 Preassigned 2.90, 3.56 A)
&rst
ixpk= 928, nxpk= 25, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 28, 29,
&end
#
# 14 THR HN 2 GLN HG+ 7.00 (# 929:25 Preassigned 6.55, 6.74 A)
&rst
ixpk= 929, nxpk= 25, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 28, 29,
&end
#
# 0 AMB 25-3:930 0 AMB 25-1:930 5.50 (# 930:25 Double Ambig)
&rst
ixpk= 930, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 164, 165, 164, 165,
igr2= 106, 107, 106, 107,
&end
#
# 0 AMB 25-3:931 0 AMB 25-1:931 5.50 (# 931:25 Double Ambig)
&rst
ixpk= 931, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 164, 165, 164, 165,
igr2= 106, 107, 106, 107,
&end
#
# 12 THR HB 0 AMB 25-1:932 7.00 (# 932:25 Single Ambig)
&rst
ixpk= 932, nxpk= 25, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 106, 107, 106, 107,
&end
#
# 7 THR HN 0 AMB 25-1:933 5.50 (# 933:25 Single Ambig)
&rst
ixpk= 933, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 106, 107, 106, 107,
&end
#
# 68 HIS HE1 0 AMB 25-1:934 7.00 (# 934:25 Single Ambig)
&rst
ixpk= 934, nxpk= 25, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 106, 107, 106, 107,
&end
#
# 68 HIS HD2 0 AMB 25-1:935 7.00 (# 935:25 Single Ambig)
&rst
ixpk= 935, nxpk= 25, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 106, 107, 106, 107,
&end
#
# 6 LYS HA 0 AMB 25-1:936 5.50 (# 936:25 Single Ambig)
&rst
ixpk= 936, nxpk= 25, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 106, 107, 106, 107,
&end
#
# 12 THR HA 0 AMB 25-1:937 5.50 (# 937:25 Single Ambig)
&rst
ixpk= 937, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 106, 107, 106, 107,
&end
#
# 10 GLY HA- 0 AMB 25-1:938 5.50 (# 938:25 Single Ambig)
&rst
ixpk= 938, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 164, 165,
igr2= 106, 107, 106, 107,
&end
#
# 0 AMB 25-3:939 0 AMB 25-1:939 5.50 (# 939:25 Double Ambig)
&rst
ixpk= 939, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 164, 165, 164, 165,
igr2= 106, 107, 106, 107,
&end
#
# 17 VAL QG+ 29 LYS HB+ 5.50 (# 940:25 Unique 4.50, 5.86 A)
&rst
ixpk= 940, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 454, 455,
&end
#
# 64 GLU HN 1 MET HB+ 5.50 (# 941:25 Unique 3.51, 4.44 A)
&rst
ixpk= 941, nxpk= 25, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 8, 9,
&end
#
# 2 GLN HN 0 AMB 25-1:942 4.50 (# 942:25 Single Ambig)
&rst
ixpk= 942, nxpk= 25, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 8, 9, 8, 9,
&end
#
# 17 VAL HA 0 AMB 25-1:944 7.00 (# 944:25 Single Ambig)
&rst
ixpk= 944, nxpk= 25, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 8, 9, 454, 455,
&end
#
# 19 PRO HD- 1 MET HB+ 5.50 (# 945:25 Unique 3.24, 4.71 A)
&rst
ixpk= 945, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 304, 305,
igr2= 8, 9,
&end
#
# 0 AMB 25-3:946 54 ARG HB- 3.50 (# 946:25 Single Ambig)
&rst
ixpk= 946, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 858, 859, 920, 921,
igr2= 852, 853,
&end
#
# 0 AMB 25-3:947 0 AMB 25-1:947 4.50 (# 947:25 Double Ambig)
&rst
ixpk= 947, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 559, 560, 375,
igr2= 498, 499, 422, 423,
&end
#
# 0 AMB 25-3:948 0 AMB 25-1:948 5.50 (# 948:25 Double Ambig)
&rst
ixpk= 948, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 613, 831,
igr2= 604, 605, 852, 853,
&end
#
# 27 LYS HA 27 LYS HB- 4.50 (# 949:25 Preassigned 2.40, 2.74 A)
&rst
ixpk= 949, nxpk= 25, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 422, 423,
&end
#
# 59 TYR HE1 54 ARG HB- 4.50 (# 950:25 Preassigned 1.90, 2.12 A)
&rst
ixpk= 950, nxpk= 25, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 852, 853,
&end
#
# 54 ARG HN 54 ARG HB- 4.50 (# 951:25 Preassigned 2.34, 2.99 A)
&rst
ixpk= 951, nxpk= 25, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 852, 853,
&end
#
# 55 THR HN 54 ARG HB- 4.50 (# 952:25 Preassigned 2.05, 2.76 A)
&rst
ixpk= 952, nxpk= 25, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 852, 853,
&end
#
# 2 GLN HN 1 MET HB- 4.50 (# 953:25 Preassigned 2.28, 3.11 A)
&rst
ixpk= 953, nxpk= 25, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 8, 9,
&end
#
# 64 GLU HN 63 LYS HB- 7.00 (# 954:25 Preassigned 2.65, 3.08 A)
&rst
ixpk= 954, nxpk= 25, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1003,1004,
&end
#
# 62 GLN HA 1 MET HG+ 7.00 (# 955:25 Preassigned 5.79, 6.23 A)
&rst
ixpk= 955, nxpk= 25, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 11, 12,
&end
#
# 63 LYS HN 1 MET HG+ 7.00 (# 956:25 Preassigned 3.61, 4.22 A)
&rst
ixpk= 956, nxpk= 25, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 11, 12,
&end
#
# 17 VAL QG+ 18 GLU HB+ 7.00 (# 957:25 Preassigned 4.63, 7.01 A)
&rst
ixpk= 957, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 292, 293,
&end
#
# 0 AMB 25-3:958 0 AMB 25-1:958 5.50 (# 958:25 Double Ambig)
&rst
ixpk= 958, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 307, 308, 310, 311,
igr2= 292, 293, 292, 293,
&end
#
# 19 PRO HD+ 18 GLU HB+ 4.50 (# 959:25 Preassigned 2.14, 3.37 A)
&rst
ixpk= 959, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 304, 305,
igr2= 292, 293,
&end
#
# 19 PRO HB+ 18 GLU HB+ 5.50 (# 960:25 Preassigned 5.43, 6.08 A)
&rst
ixpk= 960, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 310, 311,
igr2= 292, 293,
&end
#
# 13 ILE HA 6 LYS HA 7.00 (# 961:25 Preassigned 5.74, 5.83 A)
&rst
ixpk= 961, nxpk= 25, iat= 207, 95, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:962 0 AMB 25-1:962 5.50 (# 962:25 Double Ambig)
&rst
ixpk= 962, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.51, r4=12.01,
igr1= 48, 49,1184,1185,1186,1188,1189,1190,1184,1185,
1186,1188,1189,1190,
igr2= 25, 26,1155,1156,1155,1156,
&end
#
# 40 GLN HA 40 GLN HB- 4.50 (# 963:25 Preassigned 2.35, 2.70 A)
&rst
ixpk= 963, nxpk= 25, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 627, 628,
&end
#
# 64 GLU HN 2 GLN HB- 7.00 (# 964:25 Preassigned 5.20, 5.42 A)
&rst
ixpk= 964, nxpk= 25, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 25, 26,
&end
#
# 64 GLU HN 2 GLN HB+ 5.50 (# 965:25 Preassigned 5.20, 5.42 A)
&rst
ixpk= 965, nxpk= 25, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 25, 26,
&end
#
# 2 GLN HN 2 GLN HB+ 4.50 (# 966:25 Preassigned 2.99, 3.47 A)
&rst
ixpk= 966, nxpk= 25, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 25, 26,
&end
#
# 3 ILE HN 2 GLN HB+ 4.50 (# 967:25 Preassigned 2.55, 3.31 A)
&rst
ixpk= 967, nxpk= 25, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 25, 26,
&end
#
# 21 ASP HN 18 GLU HB- 5.50 (# 968:25 Preassigned 2.87, 3.94 A)
&rst
ixpk= 968, nxpk= 25, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 292, 293,
&end
#
# 65 SER HN 2 GLN HB+ 7.00 (# 969:25 Preassigned 6.50, 6.74 A)
&rst
ixpk= 969, nxpk= 25, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 25, 26,
&end
#
# 0 AMB 25-3:970 0 AMB 25-1:970 5.50 (# 970:25 Double Ambig)
&rst
ixpk= 970, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 71, 69,
igr2= 25, 26, 25, 26,
&end
#
# 20 SER HN 18 GLU HB- 4.50 (# 971:25 Preassigned 2.16, 3.02 A)
&rst
ixpk= 971, nxpk= 25, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 292, 293,
&end
#
# 2 GLN HA 2 GLN HB+ 3.50 (# 972:25 Preassigned 2.30, 2.46 A)
&rst
ixpk= 972, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 25, 26,
&end
#
# 16 GLU HA 2 GLN HB+ 5.50 (# 973:25 Preassigned 2.37, 2.61 A)
&rst
ixpk= 973, nxpk= 25, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 25, 26,
&end
#
# 14 THR QG2 2 GLN HB+ 3.50 (# 974:25 Unique 2.30, 3.76 A)
&rst
ixpk= 974, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 230, 231, 232,
igr2= 25, 26,
&end
#
# 0 AMB 25-3:975 0 AMB 25-1:975 3.50 (# 975:25 Double Ambig)
&rst
ixpk= 975, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 264, 265, 295, 296, 28, 29,
igr2= 25, 26, 292, 293, 25, 26,
&end
#
# 0 AMB 25-3:976 27 LYS HD- 3.50 (# 976:25 Single Ambig)
&rst
ixpk= 976, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 422, 423, 425, 426,
igr2= 428, 429,
&end
#
# 4 PHE HD2 2 GLN HG+ 5.50 (# 977:25 Unique 3.71, 4.00 A)
&rst
ixpk= 977, nxpk= 25, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 28, 29,
&end
#
# 45 PHE HN 0 AMB 25-1:978 5.50 (# 978:25 Single Ambig)
&rst
ixpk= 978, nxpk= 25, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 760, 761, 760, 761,
&end
#
# 0 AMB 25-3:979 0 AMB 25-1:979 5.50 (# 979:25 Double Ambig)
&rst
ixpk= 979, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 557,1151, 491,1175,
igr2= 524, 525,1120,
&end
#
# 0 AMB 25-3:980 0 AMB 25-1:980 4.50 (# 980:25 Double Ambig)
&rst
ixpk= 980, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 71, 945,
igr2= 28, 29, 760, 761, 760, 761,
&end
#
# 13 ILE QG2 33 LYS HB- 4.50 (# 981:25 Preassigned 3.71, 4.81 A)
&rst
ixpk= 981, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 211, 212, 213,
igr2= 524, 525,
&end
#
# 44 ILE HG1+ 70 VAL HB 7.00 (# 982:25 Unique 1.96, 3.84 A)
&rst
ixpk= 982, nxpk= 25, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 710, 711,
&end
#
# 0 AMB 25-3:983 33 LYS HB- 4.50 (# 983:25 Single Ambig)
&rst
ixpk= 983, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 533, 534, 533, 534,
igr2= 524, 525,
&end
#
# 14 THR HB 2 GLN HG- 5.50 (# 984:25 Preassigned 4.14, 4.55 A)
&rst
ixpk= 984, nxpk= 25, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 28, 29,
&end
#
# 2 GLN HE2- 2 GLN HG- 5.50 (# 985:25 Preassigned 2.36, 3.39 A)
&rst
ixpk= 985, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 33, 34,
igr2= 28, 29,
&end
#
# 0 AMB 25-3:986 0 AMB 25-1:986 5.50 (# 986:25 Double Ambig)
&rst
ixpk= 986, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 508, 257,
igr2= 524, 525, 28, 29,
&end
#
# 13 ILE QD1 33 LYS HB- 4.50 (# 987:25 Unique 2.23, 3.21 A)
&rst
ixpk= 987, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 218, 219, 220,
igr2= 524, 525,
&end
#
# 15 LEU HG 3 ILE HB 5.50 (# 988:25 Preassigned 4.34, 4.44 A)
&rst
ixpk= 988, nxpk= 25, iat= 245, 42, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:989 3 ILE HB 5.50 (# 989:25 Single Ambig)
&rst
ixpk= 989, nxpk= 25, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 81, 11, 12,
&end
#
# 5 VAL HA 3 ILE HB 7.00 (# 992:25 Unique 4.76, 4.80 A)
&rst
ixpk= 992, nxpk= 25, iat= 79, 42, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 14 THR HA 3 ILE HB 7.00 (# 993:25 Preassigned 5.01, 5.08 A)
&rst
ixpk= 993, nxpk= 25, iat= 226, 42, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:994 3 ILE HB 7.00 (# 994:25 Single Ambig)
&rst
ixpk= 994, nxpk= 25, iat= -1, 42, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1061, 77,
&end
#
# 17 VAL QG+ 3 ILE HG1- 4.50 (# 995:25 Preassigned 1.99, 4.09 A)
&rst
ixpk= 995, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 48, 49,
&end
#
# 0 AMB 25-3:996 3 ILE HG1- 3.50 (# 996:25 Single Ambig)
&rst
ixpk= 996, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 44, 45, 46, 51, 52, 53, 895, 896, 897, 899,
900, 901,
igr2= 48, 49,
&end
#
# 15 LEU HB- 3 ILE HG1- 5.50 (# 997:25 Preassigned 4.39, 5.35 A)
&rst
ixpk= 997, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 242, 243,
igr2= 48, 49,
&end
#
# 0 AMB 25-3:998 3 ILE HG1- 7.00 (# 998:25 Single Ambig)
&rst
ixpk= 998, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
igr1= 15, 16, 17, 25, 26,
igr2= 48, 49,
&end
#
# 3 ILE HB 3 ILE HG1- 4.50 (# 999:25 Preassigned 2.69, 2.83 A)
&rst
ixpk= 999, nxpk= 25, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 48, 49,
&end
#
# 43 LEU HA 43 LEU QD+ 3.50 (# 1000:25 Preassigned 2.23, 3.67 A)
&rst
ixpk= 1000, nxpk= 25, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 690, 691, 692, 694, 695, 696,
&end
#
# 3 ILE HN 3 ILE HG1- 4.50 (# 1001:25 Preassigned 1.88, 2.46 A)
&rst
ixpk= 1001, nxpk= 25, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 48, 49,
&end
#
# 15 LEU HN 3 ILE HG1- 7.00 (# 1002:25 Preassigned 2.94, 3.86 A)
&rst
ixpk= 1002, nxpk= 25, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 48, 49,
&end
#
# 18 GLU HN 3 ILE HG1+ 5.50 (# 1003:25 Preassigned 5.56, 6.16 A)
&rst
ixpk= 1003, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 48, 49,
&end
#
# 3 ILE HN 3 ILE HG1+ 4.50 (# 1004:25 Preassigned 1.88, 2.46 A)
&rst
ixpk= 1004, nxpk= 25, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 48, 49,
&end
#
# 2 GLN HA 3 ILE HG1+ 5.50 (# 1005:25 Unique 3.52, 3.64 A)
&rst
ixpk= 1005, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 48, 49,
&end
#
# 3 ILE HA 3 ILE HG1+ 5.50 (# 1006:25 Preassigned 3.50, 3.62 A)
&rst
ixpk= 1006, nxpk= 25, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 48, 49,
&end
#
# 3 ILE HB 3 ILE HG1+ 5.50 (# 1007:25 Preassigned 2.69, 2.83 A)
&rst
ixpk= 1007, nxpk= 25, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 48, 49,
&end
#
# 15 LEU HB- 3 ILE HG1+ 4.50 (# 1008:25 Preassigned 4.39, 5.35 A)
&rst
ixpk= 1008, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 242, 243,
igr2= 48, 49,
&end
#
# 0 AMB 25-3:1009 0 AMB 25-1:1009 3.50 (# 1009:25 Double Ambig)
&rst
ixpk= 1009, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 44, 45, 46, 51, 52, 53, 895, 896, 897, 899,
900, 901,
igr2= 48, 49, 48, 49, 48, 49,
&end
#
# 17 VAL QG+ 3 ILE HG1+ 4.50 (# 1010:25 Preassigned 1.99, 4.09 A)
&rst
ixpk= 1010, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 48, 49,
&end
#
# 0 AMB 25-3:1011 0 AMB 25-1:1011 7.00 (# 1011:25 Double Ambig)
&rst
ixpk= 1011, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 77,1061,
igr2= 48, 49, 48, 49,
&end
#
# 14 THR HA 3 ILE HG1+ 7.00 (# 1012:25 Preassigned 4.59, 5.46 A)
&rst
ixpk= 1012, nxpk= 25, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 48, 49,
&end
#
# 0 AMB 25-3:1013 0 AMB 25-1:1013 7.00 (# 1013:25 Double Ambig)
&rst
ixpk= 1013, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 274, 79,
igr2= 48, 49, 48, 49,
&end
#
# 15 LEU HB+ 3 ILE HG1+ 4.50 (# 1014:25 Preassigned 4.39, 5.35 A)
&rst
ixpk= 1014, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 242, 243,
igr2= 48, 49,
&end
#
# 0 AMB 25-3:1015 0 AMB 25-1:1015 5.50 (# 1015:25 Double Ambig)
&rst
ixpk= 1015, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 15, 16, 17, 25, 26,
igr2= 48, 49, 48, 49,
&end
#
# 64 GLU HB- 3 ILE QG2 5.50 (# 1016:25 Preassigned 5.95, 7.06 A)
&rst
ixpk= 1016, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1025,1026,
igr2= 44, 45, 46,
&end
#
# 4 PHE HB- 3 ILE QG2 5.50 (# 1017:25 Preassigned 6.05, 7.28 A)
&rst
ixpk= 1017, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 61, 62,
igr2= 44, 45, 46,
&end
#
# 19 PRO HD- 3 ILE QG2 5.50 (# 1018:25 Preassigned 6.34, 7.97 A)
&rst
ixpk= 1018, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 304, 305,
igr2= 44, 45, 46,
&end
#
# 62 GLN HA 3 ILE QG2 5.50 (# 1019:25 Preassigned 6.25, 6.50 A)
&rst
ixpk= 1019, nxpk= 25, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 44, 45, 46,
&end
#
# 65 SER HA 3 ILE QG2 5.50 (# 1020:25 Preassigned 3.86, 4.84 A)
&rst
ixpk= 1020, nxpk= 25, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 44, 45, 46,
&end
#
# 5 VAL HA 3 ILE QG2 7.00 (# 1021:25 Unique 6.31, 7.09 A)
&rst
ixpk= 1021, nxpk= 25, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 44, 45, 46,
&end
#
# 16 GLU HA 3 ILE QG2 5.50 (# 1022:25 Preassigned 6.15, 7.03 A)
&rst
ixpk= 1022, nxpk= 25, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 44, 45, 46,
&end
#
# 18 GLU HA 3 ILE QG2 7.00 (# 1023:25 Preassigned 6.45, 7.54 A)
&rst
ixpk= 1023, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 44, 45, 46,
&end
#
# 4 PHE HA 3 ILE QG2 7.00 (# 1024:25 Preassigned 5.96, 6.44 A)
&rst
ixpk= 1024, nxpk= 25, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 44, 45, 46,
&end
#
# 4 PHE HD1 3 ILE QG2 5.50 (# 1025:25 Preassigned 5.77, 6.73 A)
&rst
ixpk= 1025, nxpk= 25, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 44, 45, 46,
&end
#
# 62 GLN HN 3 ILE QG2 5.50 (# 1026:25 Preassigned 5.94, 6.19 A)
&rst
ixpk= 1026, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 44, 45, 46,
&end
#
# 63 LYS HN 3 ILE QG2 5.50 (# 1027:25 Preassigned 4.22, 4.67 A)
&rst
ixpk= 1027, nxpk= 25, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 44, 45, 46,
&end
#
# 0 AMB 25-3:1028 3 ILE QG2 5.50 (# 1028:25 Single Ambig)
&rst
ixpk= 1028, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1047, 238,
igr2= 44, 45, 46,
&end
#
# 4 PHE HB+ 3 ILE QG2 7.00 (# 1029:25 Preassigned 6.05, 7.28 A)
&rst
ixpk= 1029, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 61, 62,
igr2= 44, 45, 46,
&end
#
# 3 ILE HG1- 3 ILE QD1 2.80 (# 1030:25 Preassigned 2.33, 2.62 A)
&rst
ixpk= 1030, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 48, 49,
igr2= 51, 52, 53,
&end
#
# 56 LEU HB+ 3 ILE QD1 4.50 (# 1031:25 Preassigned 4.96, 6.53 A)
&rst
ixpk= 1031, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 890, 891,
igr2= 51, 52, 53,
&end
#
# 1 MET HG+ 3 ILE QD1 5.50 (# 1032:25 Preassigned 6.47, 7.09 A)
&rst
ixpk= 1032, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 11, 12,
igr2= 51, 52, 53,
&end
#
# 21 ASP HB- 3 ILE QD1 5.50 (# 1034:25 Preassigned 6.33, 7.47 A)
&rst
ixpk= 1034, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 332, 333,
igr2= 51, 52, 53,
&end
#
# 26 VAL HA 3 ILE QD1 5.50 (# 1035:25 Unique 4.49, 5.29 A)
&rst
ixpk= 1035, nxpk= 25, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 51, 52, 53,
&end
#
# 65 SER HB- 3 ILE QD1 5.50 (# 1036:25 Preassigned 5.11, 5.99 A)
&rst
ixpk= 1036, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1040,1041,
igr2= 51, 52, 53,
&end
#
# 0 AMB 25-3:1037 3 ILE QD1 4.50 (# 1037:25 Single Ambig)
&rst
ixpk= 1037, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 79, 240,
igr2= 51, 52, 53,
&end
#
# 0 AMB 25-3:1038 3 ILE QD1 5.50 (# 1038:25 Single Ambig)
&rst
ixpk= 1038, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 226, 259,
igr2= 51, 52, 53,
&end
#
# 67 LEU HA 3 ILE QD1 7.00 (# 1039:25 Preassigned 6.36, 7.09 A)
&rst
ixpk= 1039, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 51, 52, 53,
&end
#
# 4 PHE HA 3 ILE QD1 5.50 (# 1040:25 Preassigned 5.25, 6.30 A)
&rst
ixpk= 1040, nxpk= 25, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 51, 52, 53,
&end
#
# 65 SER HN 3 ILE QD1 5.50 (# 1042:25 Preassigned 5.91, 6.34 A)
&rst
ixpk= 1042, nxpk= 25, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 51, 52, 53,
&end
#
# 0 AMB 25-3:1043 3 ILE QD1 5.50 (# 1043:25 Single Ambig)
&rst
ixpk= 1043, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 257, 402,
igr2= 51, 52, 53,
&end
#
# 17 VAL HN 3 ILE QD1 5.50 (# 1044:25 Preassigned 5.25, 6.00 A)
&rst
ixpk= 1044, nxpk= 25, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 51, 52, 53,
&end
#
# 0 AMB 25-3:1045 3 ILE QD1 4.50 (# 1045:25 Single Ambig)
&rst
ixpk= 1045, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 77,1061,
igr2= 51, 52, 53,
&end
#
# 0 AMB 25-3:1046 3 ILE QD1 5.50 (# 1046:25 Single Ambig)
&rst
ixpk= 1046, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1040,1041,1001,
igr2= 51, 52, 53,
&end
#
# 0 AMB 25-3:1047 4 PHE HA 5.50 (# 1047:25 Single Ambig)
&rst
ixpk= 1047, nxpk= 25, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 51, 52, 53, 44, 45, 46,
&end
#
# 0 AMB 25-3:1048 4 PHE HA 4.50 (# 1048:25 Single Ambig)
&rst
ixpk= 1048, nxpk= 25, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87,
88, 89, 247, 248, 249, 251, 252, 253, 247, 248,
249, 251, 252, 253,
&end
#
# 66 THR QG2 4 PHE HA 5.50 (# 1049:25 Preassigned 5.31, 6.42 A)
&rst
ixpk= 1049, nxpk= 25, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1053,1054,1055,
&end
#
# 12 THR QG2 4 PHE HA 4.50 (# 1050:25 Unique 3.19, 3.99 A)
&rst
ixpk= 1050, nxpk= 25, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 197, 198, 199,
&end
#
# 0 AMB 25-3:1051 4 PHE HA 7.00 (# 1051:25 Single Ambig)
&rst
ixpk= 1051, nxpk= 25, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1= 242, 243, 245, 97, 98, 100, 101,
&end
#
# 67 LEU HB- 4 PHE HA 7.00 (# 1052:25 Preassigned 5.73, 6.10 A)
&rst
ixpk= 1052, nxpk= 25, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1065,1066,
&end
#
# 3 ILE HB 4 PHE HA 5.50 (# 1053:25 Preassigned 4.37, 4.43 A)
&rst
ixpk= 1053, nxpk= 25, iat= 42, 59, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ILE HB 4 PHE HA 7.00 (# 1054:25 Unique 6.59, 6.67 A)
&rst
ixpk= 1054, nxpk= 25, iat= 209, 59, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 5 VAL HB 4 PHE HA 5.50 (# 1055:25 Preassigned 4.79, 4.90 A)
&rst
ixpk= 1055, nxpk= 25, iat= 81, 59, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 PHE HB+ 4 PHE HA 3.50 (# 1056:25 Preassigned 2.31, 2.65 A)
&rst
ixpk= 1056, nxpk= 25, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 61, 62,
&end
#
# 4 PHE HB- 4 PHE HA 3.50 (# 1057:25 Preassigned 2.31, 2.65 A)
&rst
ixpk= 1057, nxpk= 25, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 61, 62,
&end
#
# 14 THR HB 4 PHE HA 5.50 (# 1058:25 Preassigned 4.49, 4.55 A)
&rst
ixpk= 1058, nxpk= 25, iat= 228, 59, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1059 4 PHE HA 5.50 (# 1059:25 Single Ambig)
&rst
ixpk= 1059, nxpk= 25, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 79, 240,
&end
#
# 14 THR HA 4 PHE HA 4.50 (# 1060:25 Preassigned 2.07, 2.12 A)
&rst
ixpk= 1060, nxpk= 25, iat= 226, 59, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PHE HD2 4 PHE HA 3.50 (# 1061:25 Preassigned 2.51, 2.57 A)
&rst
ixpk= 1061, nxpk= 25, iat= 73, 59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:1062 4 PHE HA 4.50 (# 1062:25 Single Ambig)
&rst
ixpk= 1062, nxpk= 25, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 71, 67, 69,
&end
#
# 4 PHE HN 4 PHE HA 4.50 (# 1063:25 Preassigned 2.92, 2.93 A)
&rst
ixpk= 1063, nxpk= 25, iat= 57, 59, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 LEU HN 4 PHE HA 4.50 (# 1064:25 Preassigned 3.70, 3.74 A)
&rst
ixpk= 1064, nxpk= 25, iat= 238, 59, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LYS HN 4 PHE HA 7.00 (# 1065:25 Preassigned 5.06, 5.10 A)
&rst
ixpk= 1065, nxpk= 25, iat= 93, 59, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 5 VAL HN 4 PHE HA 3.50 (# 1066:25 Preassigned 2.18, 2.19 A)
&rst
ixpk= 1066, nxpk= 25, iat= 77, 59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 ILE HN 4 PHE HA 5.50 (# 1067:25 Preassigned 4.50, 4.58 A)
&rst
ixpk= 1067, nxpk= 25, iat= 205, 59, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 THR QG2 4 PHE HB- 4.50 (# 1068:25 Preassigned 2.76, 4.52 A)
&rst
ixpk= 1068, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1053,1054,1055,
igr2= 61, 62,
&end
#
# 12 THR QG2 4 PHE HB- 4.50 (# 1069:25 Preassigned 2.07, 2.99 A)
&rst
ixpk= 1069, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 197, 198, 199,
igr2= 61, 62,
&end
#
# 64 GLU HA 4 PHE HB- 7.00 (# 1071:25 Preassigned 5.79, 6.08 A)
&rst
ixpk= 1071, nxpk= 25, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 61, 62,
&end
#
# 3 ILE HA 4 PHE HB- 5.50 (# 1072:25 Preassigned 4.97, 5.28 A)
&rst
ixpk= 1072, nxpk= 25, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 61, 62,
&end
#
# 0 AMB 25-3:1073 4 PHE HB- 7.00 (# 1073:25 Single Ambig)
&rst
ixpk= 1073, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 193,1063,
igr2= 61, 62,
&end
#
# 66 THR HA 4 PHE HB- 4.50 (# 1074:25 Preassigned 2.05, 3.05 A)
&rst
ixpk= 1074, nxpk= 25, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 61, 62,
&end
#
# 4 PHE HA 4 PHE HB- 4.50 (# 1075:25 Preassigned 2.31, 2.65 A)
&rst
ixpk= 1075, nxpk= 25, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 61, 62,
&end
#
# 0 AMB 25-3:1076 4 PHE HB- 3.50 (# 1076:25 Single Ambig)
&rst
ixpk= 1076, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 65, 73,
igr2= 61, 62,
&end
#
# 0 AMB 25-3:1077 4 PHE HB- 4.50 (# 1077:25 Single Ambig)
&rst
ixpk= 1077, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 67, 71, 69,
igr2= 61, 62,
&end
#
# 4 PHE HN 4 PHE HB- 4.50 (# 1078:25 Preassigned 2.81, 3.26 A)
&rst
ixpk= 1078, nxpk= 25, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 61, 62,
&end
#
# 0 AMB 25-3:1079 4 PHE HB- 7.00 (# 1079:25 Single Ambig)
&rst
ixpk= 1079, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1047, 238,
igr2= 61, 62,
&end
#
# 0 AMB 25-3:1080 4 PHE HB- 4.50 (# 1080:25 Single Ambig)
&rst
ixpk= 1080, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1061, 77,
igr2= 61, 62,
&end
#
# 17 VAL QG+ 21 ASP HB- 5.50 (# 1081:25 Preassigned 4.15, 5.42 A)
&rst
ixpk= 1081, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 332, 333,
&end
#
# 56 LEU QD+ 21 ASP HB- 4.50 (# 1082:25 Preassigned 3.12, 5.36 A)
&rst
ixpk= 1082, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 895, 896, 897, 899, 900, 901,
igr2= 332, 333,
&end
#
# 56 LEU QD- 21 ASP HB- 3.50 (# 1083:25 Preassigned 3.12, 5.36 A)
&rst
ixpk= 1083, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 895, 896, 897, 899, 900, 901,
igr2= 332, 333,
&end
#
# 26 VAL QG+ 21 ASP HB- 4.50 (# 1084:25 Preassigned 2.89, 5.66 A)
&rst
ixpk= 1084, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 408, 409, 410, 412, 413, 414,
igr2= 332, 333,
&end
#
# 56 LEU HG 21 ASP HB- 4.50 (# 1085:25 Preassigned 2.92, 3.75 A)
&rst
ixpk= 1085, nxpk= 25, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 332, 333,
&end
#
# 0 AMB 25-3:1086 21 ASP HB- 4.50 (# 1086:25 Single Ambig)
&rst
ixpk= 1086, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 292, 293, 890, 891,
igr2= 332, 333,
&end
#
# 17 VAL HB 21 ASP HB- 3.50 (# 1087:25 Preassigned 3.31, 3.75 A)
&rst
ixpk= 1087, nxpk= 25, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 332, 333,
&end
#
# 25 ASN HB+ 21 ASP HB- 5.50 (# 1088:25 Preassigned 3.30, 4.97 A)
&rst
ixpk= 1088, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 392, 393,
igr2= 332, 333,
&end
#
# 21 ASP HA 21 ASP HB- 3.50 (# 1089:25 Preassigned 2.34, 2.74 A)
&rst
ixpk= 1089, nxpk= 25, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 332, 333,
&end
#
# 20 SER HN 21 ASP HB- 5.50 (# 1090:25 Preassigned 3.83, 4.74 A)
&rst
ixpk= 1090, nxpk= 25, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 332, 333,
&end
#
# 22 THR HN 21 ASP HB- 4.50 (# 1091:25 Preassigned 2.99, 3.80 A)
&rst
ixpk= 1091, nxpk= 25, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 332, 333,
&end
#
# 18 GLU HN 21 ASP HB- 4.50 (# 1092:25 Preassigned 2.55, 3.37 A)
&rst
ixpk= 1092, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 332, 333,
&end
#
# 56 LEU HN 21 ASP HB- 7.00 (# 1093:25 Preassigned 4.22, 4.84 A)
&rst
ixpk= 1093, nxpk= 25, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 332, 333,
&end
#
# 18 GLU HA 21 ASP HB- 7.00 (# 1094:25 Preassigned 4.52, 5.57 A)
&rst
ixpk= 1094, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 332, 333,
&end
#
# 22 THR HB 21 ASP HB- 7.00 (# 1095:25 Preassigned 6.05, 6.77 A)
&rst
ixpk= 1095, nxpk= 25, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 332, 333,
&end
#
# 0 AMB 25-3:1096 21 ASP HB- 7.00 (# 1096:25 Single Ambig)
&rst
ixpk= 1096, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 876, 390,
igr2= 332, 333,
&end
#
# 26 VAL HA 21 ASP HB- 7.00 (# 1097:25 Preassigned 4.97, 5.69 A)
&rst
ixpk= 1097, nxpk= 25, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 332, 333,
&end
#
# 56 LEU HB- 21 ASP HB- 5.50 (# 1098:25 Preassigned 4.49, 5.82 A)
&rst
ixpk= 1098, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 890, 891,
igr2= 332, 333,
&end
#
# 0 AMB 25-3:1099 0 AMB 25-1:1099 4.50 (# 1099:25 Double Ambig)
&rst
ixpk= 1099, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87,
88, 89,
igr2= 61, 62, 61, 62,
&end
#
# 66 THR QG2 4 PHE HB+ 3.50 (# 1100:25 Preassigned 2.76, 4.52 A)
&rst
ixpk= 1100, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1053,1054,1055,
igr2= 61, 62,
&end
#
# 0 AMB 25-3:1101 0 AMB 25-1:1101 4.50 (# 1101:25 Double Ambig)
&rst
ixpk= 1101, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 495, 496, 454, 455, 524, 525,
igr2= 512, 513, 512, 513, 512, 513,
&end
#
# 0 AMB 25-3:1102 0 AMB 25-1:1102 4.50 (# 1102:25 Double Ambig)
&rst
ixpk= 1102, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 530, 531, 530, 531, 42,
igr2= 512, 513, 512, 513, 61, 62,
&end
#
# 0 AMB 25-3:1103 0 AMB 25-1:1103 4.50 (# 1103:25 Double Ambig)
&rst
ixpk= 1103, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 527, 528, 527, 528, 97, 98,
igr2= 512, 513, 512, 513, 61, 62,
&end
#
# 0 AMB 25-3:1104 0 AMB 25-1:1104 5.50 (# 1104:25 Double Ambig)
&rst
ixpk= 1104, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 498, 499, 28, 29,
igr2= 512, 513, 61, 62,
&end
#
# 31 GLN HB+ 32 ASP HB+ 5.50 (# 1105:25 Preassigned 4.02, 5.62 A)
&rst
ixpk= 1105, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 495, 496,
igr2= 512, 513,
&end
#
# 66 THR HA 4 PHE HB+ 4.50 (# 1106:25 Preassigned 2.05, 3.05 A)
&rst
ixpk= 1106, nxpk= 25, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 61, 62,
&end
#
# 4 PHE HA 4 PHE HB+ 3.50 (# 1107:25 Preassigned 2.31, 2.65 A)
&rst
ixpk= 1107, nxpk= 25, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 61, 62,
&end
#
# 0 AMB 25-3:1108 0 AMB 25-1:1108 5.50 (# 1108:25 Double Ambig)
&rst
ixpk= 1108, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 67, 71, 69,
igr2= 61, 62, 61, 62, 61, 62,
&end
#
# 29 LYS HN 32 ASP HB+ 5.50 (# 1109:25 Preassigned 5.32, 6.03 A)
&rst
ixpk= 1109, nxpk= 25, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 512, 513,
&end
#
# 0 AMB 25-3:1110 0 AMB 25-1:1110 5.50 (# 1110:25 Double Ambig)
&rst
ixpk= 1110, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 472, 38,
igr2= 512, 513, 61, 62,
&end
#
# 4 PHE HN 4 PHE HB+ 4.50 (# 1111:25 Preassigned 2.81, 3.26 A)
&rst
ixpk= 1111, nxpk= 25, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 61, 62,
&end
#
# 0 AMB 25-3:1112 0 AMB 25-1:1112 4.50 (# 1112:25 Double Ambig)
&rst
ixpk= 1112, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1047, 542, 238,
igr2= 61, 62, 512, 513, 61, 62,
&end
#
# 0 AMB 25-3:1113 0 AMB 25-1:1113 4.50 (# 1113:25 Double Ambig)
&rst
ixpk= 1113, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1061, 77,
igr2= 61, 62, 61, 62,
&end
#
# 34 GLU HN 32 ASP HB- 5.50 (# 1114:25 Preassigned 5.23, 5.34 A)
&rst
ixpk= 1114, nxpk= 25, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 512, 513,
&end
#
# 0 AMB 25-3:1115 32 ASP HB- 5.50 (# 1115:25 Single Ambig)
&rst
ixpk= 1115, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 491, 557,
igr2= 512, 513,
&end
#
# 29 LYS HN 32 ASP HB- 5.50 (# 1116:25 Preassigned 5.32, 6.03 A)
&rst
ixpk= 1116, nxpk= 25, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 512, 513,
&end
#
# 31 GLN HB+ 32 ASP HB- 5.50 (# 1117:25 Preassigned 4.02, 5.62 A)
&rst
ixpk= 1117, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 495, 496,
igr2= 512, 513,
&end
#
# 31 GLN HG- 32 ASP HB- 5.50 (# 1119:25 Preassigned 5.45, 6.61 A)
&rst
ixpk= 1119, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 498, 499,
igr2= 512, 513,
&end
#
# 29 LYS HB+ 32 ASP HB- 5.50 (# 1120:25 Preassigned 4.92, 5.66 A)
&rst
ixpk= 1120, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 454, 455,
igr2= 512, 513,
&end
#
# 0 AMB 25-3:1121 32 ASP HB- 4.50 (# 1121:25 Single Ambig)
&rst
ixpk= 1121, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 495, 496, 454, 455, 524, 525,
igr2= 512, 513,
&end
#
# 33 LYS HB- 32 ASP HB- 5.50 (# 1122:25 Preassigned 5.19, 5.81 A)
&rst
ixpk= 1122, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 524, 525,
igr2= 512, 513,
&end
#
# 0 AMB 25-3:1123 32 ASP HB- 5.50 (# 1123:25 Single Ambig)
&rst
ixpk= 1123, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 530, 531, 530, 531,
igr2= 512, 513,
&end
#
# 0 AMB 25-3:1124 32 ASP HB- 4.50 (# 1124:25 Single Ambig)
&rst
ixpk= 1124, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 527, 528, 527, 528,
igr2= 512, 513,
&end
#
# 13 ILE QD1 32 ASP HB- 5.50 (# 1125:25 Unique 6.79, 7.81 A)
&rst
ixpk= 1125, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 218, 219, 220,
igr2= 512, 513,
&end
#
# 30 ILE HN 32 ASP HB- 5.50 (# 1126:25 Preassigned 5.43, 5.97 A)
&rst
ixpk= 1126, nxpk= 25, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 512, 513,
&end
#
# 31 GLN HA 32 ASP HB- 7.00 (# 1128:25 Preassigned 5.52, 5.96 A)
&rst
ixpk= 1128, nxpk= 25, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 512, 513,
&end
#
# 30 ILE HA 32 ASP HB- 5.50 (# 1129:25 Preassigned 5.64, 5.87 A)
&rst
ixpk= 1129, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 512, 513,
&end
#
# 29 LYS HD- 32 ASP HB- 7.00 (# 1130:25 Preassigned 5.39, 6.45 A)
&rst
ixpk= 1130, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 460, 461,
igr2= 512, 513,
&end
#
# 0 AMB 25-3:1131 5 VAL HA 3.50 (# 1131:25 Single Ambig)
&rst
ixpk= 1131, nxpk= 25, iat= -1, 79, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87,
88, 89,
&end
#
# 67 LEU HB- 5 VAL HA 4.50 (# 1132:25 Preassigned 2.35, 2.70 A)
&rst
ixpk= 1132, nxpk= 25, iat= -1, 79, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1065,1066,
&end
#
# 6 LYS HN 5 VAL HA 3.50 (# 1133:25 Preassigned 2.23, 2.24 A)
&rst
ixpk= 1133, nxpk= 25, iat= 93, 79, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:1134 5 VAL HA 4.50 (# 1134:25 Single Ambig)
&rst
ixpk= 1134, nxpk= 25, iat= -1, 79, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1061, 77,
&end
#
# 8 LEU QD- 70 VAL HB 5.50 (# 1135:25 Preassigned 3.34, 6.38 A)
&rst
ixpk= 1135, nxpk= 25, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 42 ARG HD+ 70 VAL HB 5.50 (# 1136:25 Preassigned 3.96, 5.39 A)
&rst
ixpk= 1136, nxpk= 25, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 667, 668,
&end
#
# 70 VAL HA 70 VAL HB 4.50 (# 1137:25 Preassigned 2.46, 2.91 A)
&rst
ixpk= 1137, nxpk= 25, iat=1118,1120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 ARG HN 70 VAL HB 5.50 (# 1138:25 Preassigned 3.28, 3.71 A)
&rst
ixpk= 1138, nxpk= 25, iat= 657,1120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LEU HN 70 VAL HB 4.50 (# 1139:25 Preassigned 2.12, 3.32 A)
&rst
ixpk= 1139, nxpk= 25, iat=1132,1120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 ARG HA 70 VAL HB 7.00 (# 1140:25 Preassigned 4.00, 4.73 A)
&rst
ixpk= 1140, nxpk= 25, iat= 659,1120, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 13 ILE HN 5 VAL HB 4.50 (# 1141:25 Preassigned 3.55, 3.60 A)
&rst
ixpk= 1141, nxpk= 25, iat= 205, 81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 VAL HN 5 VAL HB 3.50 (# 1142:25 Preassigned 2.60, 2.72 A)
&rst
ixpk= 1142, nxpk= 25, iat= 77, 81, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 LYS HN 29 LYS HB- 4.50 (# 1143:25 Preassigned 2.73, 3.16 A)
&rst
ixpk= 1143, nxpk= 25, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 454, 455,
&end
#
# 5 VAL HA 5 VAL HB 4.50 (# 1144:25 Preassigned 2.99, 3.01 A)
&rst
ixpk= 1144, nxpk= 25, iat= 79, 81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1145 5 VAL HB 5.50 (# 1145:25 Single Ambig)
&rst
ixpk= 1145, nxpk= 25, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 121, 122, 123, 242, 243, 176, 177,
&end
#
# 13 ILE QG2 5 VAL HB 3.50 (# 1146:25 Preassigned 1.78, 2.74 A)
&rst
ixpk= 1146, nxpk= 25, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 211, 212, 213,
&end
#
# 29 LYS HD- 29 LYS HB- 3.50 (# 1147:25 Preassigned 2.19, 2.94 A)
&rst
ixpk= 1147, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 460, 461,
igr2= 454, 455,
&end
#
# 30 ILE HA 5 VAL HB 7.00 (# 1148:25 Preassigned 5.06, 5.14 A)
&rst
ixpk= 1148, nxpk= 25, iat= 474, 81, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 14 THR HA 5 VAL HB 7.00 (# 1149:25 Preassigned 4.84, 5.08 A)
&rst
ixpk= 1149, nxpk= 25, iat= 226, 81, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 THR HA 5 VAL HB 5.50 (# 1150:25 Preassigned 5.19, 5.24 A)
&rst
ixpk= 1150, nxpk= 25, iat= 193, 81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1151 5 VAL HB 7.00 (# 1151:25 Single Ambig)
&rst
ixpk= 1151, nxpk= 25, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 95,1049,
&end
#
# 4 PHE HA 5 VAL HB 5.50 (# 1152:25 Preassigned 4.79, 4.90 A)
&rst
ixpk= 1152, nxpk= 25, iat= 59, 81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 PHE HB+ 5 VAL QG- 5.50 (# 1153:25 Preassigned 5.54, 7.12 A)
&rst
ixpk= 1153, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 61, 62,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 4 PHE HB- 5 VAL QG- 5.50 (# 1154:25 Preassigned 5.54, 7.12 A)
&rst
ixpk= 1154, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 61, 62,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 27 LYS HA 5 VAL QG- 5.50 (# 1155:25 Preassigned 5.98, 6.96 A)
&rst
ixpk= 1155, nxpk= 25, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 0 AMB 25-3:1156 5 VAL QG- 4.50 (# 1156:25 Single Ambig)
&rst
ixpk= 1156, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1063, 193,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 0 AMB 25-3:1157 5 VAL QG- 5.50 (# 1157:25 Single Ambig)
&rst
ixpk= 1157, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 115, 224,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 13 ILE HN 5 VAL QG- 5.50 (# 1158:25 Preassigned 4.86, 5.60 A)
&rst
ixpk= 1158, nxpk= 25, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 3 ILE QD1 5 VAL QG+ 3.50 (# 1159:25 Preassigned 2.32, 4.92 A)
&rst
ixpk= 1159, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 51, 52, 53,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 4 PHE HB+ 5 VAL QG+ 5.50 (# 1160:25 Preassigned 5.54, 7.12 A)
&rst
ixpk= 1160, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 61, 62,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 13 ILE HA 5 VAL QG+ 5.50 (# 1161:25 Preassigned 5.73, 7.30 A)
&rst
ixpk= 1161, nxpk= 25, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 0 AMB 25-3:1162 0 AMB 25-1:1162 5.50 (# 1162:25 Double Ambig)
&rst
ixpk= 1162, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1063, 193,
igr2= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87,
88, 89,
&end
#
# 30 ILE HN 5 VAL QG+ 5.50 (# 1163:25 Preassigned 5.59, 6.66 A)
&rst
ixpk= 1163, nxpk= 25, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 4 PHE HN 5 VAL QG+ 5.50 (# 1164:25 Preassigned 4.39, 6.41 A)
&rst
ixpk= 1164, nxpk= 25, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 15 LEU HN 5 VAL QG+ 5.50 (# 1165:25 Preassigned 3.67, 5.93 A)
&rst
ixpk= 1165, nxpk= 25, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 13 ILE HN 5 VAL QG+ 5.50 (# 1166:25 Preassigned 4.86, 5.60 A)
&rst
ixpk= 1166, nxpk= 25, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 83, 84, 85, 87, 88, 89,
&end
#
# 65 SER HN 2 GLN HA 7.00 (# 1167:25 Preassigned 5.87, 5.90 A)
&rst
ixpk= 1167, nxpk= 25, iat=1036, 23, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:1168 6 LYS HB- 5.50 (# 1168:25 Single Ambig)
&rst
ixpk= 1168, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87,
88, 89,
igr2= 97, 98,
&end
#
# 66 THR QG2 6 LYS HB- 3.50 (# 1169:25 Preassigned 2.66, 3.76 A)
&rst
ixpk= 1169, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1053,1054,1055,
igr2= 97, 98,
&end
#
# 12 THR QG2 6 LYS HB- 4.50 (# 1170:25 Preassigned 2.73, 4.70 A)
&rst
ixpk= 1170, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 197, 198, 199,
igr2= 97, 98,
&end
#
# 7 THR QG2 6 LYS HB- 5.50 (# 1171:25 Preassigned 5.73, 7.03 A)
&rst
ixpk= 1171, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 121, 122, 123,
igr2= 97, 98,
&end
#
# 6 LYS HG+ 6 LYS HB- 3.50 (# 1172:25 Preassigned 2.34, 2.73 A)
&rst
ixpk= 1172, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 100, 101,
igr2= 97, 98,
&end
#
# 0 AMB 25-3:1173 6 LYS HB- 4.50 (# 1173:25 Single Ambig)
&rst
ixpk= 1173, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 106, 107, 106, 107,
igr2= 97, 98,
&end
#
# 5 VAL HA 6 LYS HB- 4.50 (# 1174:25 Preassigned 4.40, 4.75 A)
&rst
ixpk= 1174, nxpk= 25, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 97, 98,
&end
#
# 12 THR HA 6 LYS HB- 5.50 (# 1175:25 Unique 3.24, 4.03 A)
&rst
ixpk= 1175, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 97, 98,
&end
#
# 6 LYS HA 6 LYS HB- 3.50 (# 1176:25 Preassigned 2.46, 2.81 A)
&rst
ixpk= 1176, nxpk= 25, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 97, 98,
&end
#
# 68 HIS HD2 6 LYS HB- 7.00 (# 1177:25 Preassigned 4.40, 6.06 A)
&rst
ixpk= 1177, nxpk= 25, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 97, 98,
&end
#
# 69 LEU HN 6 LYS HB- 5.50 (# 1178:25 Preassigned 4.33, 5.03 A)
&rst
ixpk= 1178, nxpk= 25, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 97, 98,
&end
#
# 7 THR HN 6 LYS HB- 4.50 (# 1179:25 Preassigned 3.73, 4.16 A)
&rst
ixpk= 1179, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 97, 98,
&end
#
# 6 LYS HN 6 LYS HB- 4.50 (# 1180:25 Preassigned 2.23, 2.58 A)
&rst
ixpk= 1180, nxpk= 25, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 97, 98,
&end
#
# 0 AMB 25-3:1181 6 LYS HB- 7.00 (# 1181:25 Single Ambig)
&rst
ixpk= 1181, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1061, 77,
igr2= 97, 98,
&end
#
# 0 AMB 25-3:1182 0 AMB 25-1:1182 5.50 (# 1182:25 Double Ambig)
&rst
ixpk= 1182, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87,
88, 89,
igr2= 97, 98, 97, 98,
&end
#
# 66 THR QG2 6 LYS HB+ 3.50 (# 1183:25 Preassigned 2.66, 3.76 A)
&rst
ixpk= 1183, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1053,1054,1055,
igr2= 97, 98,
&end
#
# 12 THR QG2 6 LYS HB+ 4.50 (# 1184:25 Preassigned 2.73, 4.70 A)
&rst
ixpk= 1184, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 197, 198, 199,
igr2= 97, 98,
&end
#
# 7 THR QG2 6 LYS HB+ 5.50 (# 1185:25 Preassigned 5.73, 7.03 A)
&rst
ixpk= 1185, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 121, 122, 123,
igr2= 97, 98,
&end
#
# 6 LYS HG+ 6 LYS HB+ 3.50 (# 1186:25 Preassigned 2.34, 2.73 A)
&rst
ixpk= 1186, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 100, 101,
igr2= 97, 98,
&end
#
# 67 LEU HG 6 LYS HB+ 7.00 (# 1187:25 Preassigned 7.29, 7.89 A)
&rst
ixpk= 1187, nxpk= 25, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 97, 98,
&end
#
# 68 HIS HB- 6 LYS HB+ 7.00 (# 1188:25 Preassigned 5.06, 6.20 A)
&rst
ixpk= 1188, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1084,1085,
igr2= 97, 98,
&end
#
# 0 AMB 25-3:1189 0 AMB 25-1:1189 4.50 (# 1189:25 Double Ambig)
&rst
ixpk= 1189, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 106, 107, 106, 107,
igr2= 97, 98, 97, 98,
&end
#
# 66 THR HB 6 LYS HB+ 7.00 (# 1190:25 Preassigned 5.36, 5.99 A)
&rst
ixpk= 1190, nxpk= 25, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 97, 98,
&end
#
# 5 VAL HA 6 LYS HB+ 4.50 (# 1191:25 Preassigned 4.40, 4.75 A)
&rst
ixpk= 1191, nxpk= 25, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 97, 98,
&end
#
# 12 THR HA 6 LYS HB+ 5.50 (# 1192:25 Unique 3.24, 4.03 A)
&rst
ixpk= 1192, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 97, 98,
&end
#
# 6 LYS HA 6 LYS HB+ 3.50 (# 1193:25 Preassigned 2.46, 2.81 A)
&rst
ixpk= 1193, nxpk= 25, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 97, 98,
&end
#
# 68 HIS HD2 6 LYS HB+ 7.00 (# 1194:25 Preassigned 4.40, 6.06 A)
&rst
ixpk= 1194, nxpk= 25, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 97, 98,
&end
#
# 69 LEU HN 6 LYS HB+ 5.50 (# 1195:25 Preassigned 4.33, 5.03 A)
&rst
ixpk= 1195, nxpk= 25, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 97, 98,
&end
#
# 7 THR HN 6 LYS HB+ 4.50 (# 1196:25 Preassigned 3.73, 4.16 A)
&rst
ixpk= 1196, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 97, 98,
&end
#
# 6 LYS HN 6 LYS HB+ 4.50 (# 1197:25 Preassigned 2.23, 2.58 A)
&rst
ixpk= 1197, nxpk= 25, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 97, 98,
&end
#
# 0 AMB 25-3:1198 0 AMB 25-1:1198 5.50 (# 1198:25 Double Ambig)
&rst
ixpk= 1198, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1061, 77,
igr2= 97, 98, 97, 98,
&end
#
# 13 ILE HN 6 LYS HB+ 7.00 (# 1199:25 Preassigned 4.85, 5.43 A)
&rst
ixpk= 1199, nxpk= 25, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 97, 98,
&end
#
# 66 THR QG2 6 LYS HG+ 4.50 (# 1200:25 Preassigned 4.36, 5.66 A)
&rst
ixpk= 1200, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1053,1054,1055,
igr2= 100, 101,
&end
#
# 12 THR QG2 6 LYS HG+ 4.50 (# 1201:25 Preassigned 2.55, 4.70 A)
&rst
ixpk= 1201, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 197, 198, 199,
igr2= 100, 101,
&end
#
# 0 AMB 25-3:1202 0 AMB 25-1:1202 3.50 (# 1202:25 Double Ambig)
&rst
ixpk= 1202, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 103, 104, 103, 104, 97, 98,
igr2= 100, 101, 100, 101, 100, 101,
&end
#
# 0 AMB 25-3:1205 0 AMB 25-1:1205 4.50 (# 1205:25 Double Ambig)
&rst
ixpk= 1205, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 106, 107, 106, 107,
igr2= 100, 101, 100, 101,
&end
#
# 4 PHE HB- 6 LYS HG+ 5.50 (# 1206:25 Preassigned 5.39, 6.61 A)
&rst
ixpk= 1206, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 61, 62,
igr2= 100, 101,
&end
#
# 12 THR HB 6 LYS HG+ 7.00 (# 1208:25 Preassigned 3.81, 4.98 A)
&rst
ixpk= 1208, nxpk= 25, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 100, 101,
&end
#
# 7 THR HB 6 LYS HG+ 5.50 (# 1210:25 Preassigned 5.51, 6.48 A)
&rst
ixpk= 1210, nxpk= 25, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 100, 101,
&end
#
# 12 THR HA 6 LYS HG+ 5.50 (# 1211:25 Preassigned 2.22, 3.29 A)
&rst
ixpk= 1211, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 100, 101,
&end
#
# 6 LYS HA 6 LYS HG+ 4.50 (# 1212:25 Preassigned 2.25, 2.63 A)
&rst
ixpk= 1212, nxpk= 25, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 100, 101,
&end
#
# 69 LEU HN 6 LYS HG+ 7.00 (# 1213:25 Preassigned 4.92, 6.07 A)
&rst
ixpk= 1213, nxpk= 25, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 100, 101,
&end
#
# 7 THR HN 6 LYS HG+ 5.50 (# 1214:25 Preassigned 2.81, 3.33 A)
&rst
ixpk= 1214, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 100, 101,
&end
#
# 0 AMB 25-3:1215 0 AMB 25-1:1215 5.50 (# 1215:25 Double Ambig)
&rst
ixpk= 1215, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 93, 129,
igr2= 100, 101, 100, 101,
&end
#
# 0 AMB 25-3:1216 6 LYS HG- 7.00 (# 1216:25 Single Ambig)
&rst
ixpk= 1216, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 77,1061,
igr2= 100, 101,
&end
#
# 0 AMB 25-3:1217 6 LYS HG- 4.50 (# 1217:25 Single Ambig)
&rst
ixpk= 1217, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 93, 129,
igr2= 100, 101,
&end
#
# 7 THR HN 6 LYS HG- 4.50 (# 1218:25 Preassigned 2.81, 3.33 A)
&rst
ixpk= 1218, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 100, 101,
&end
#
# 69 LEU HN 6 LYS HG- 7.00 (# 1219:25 Preassigned 4.92, 6.07 A)
&rst
ixpk= 1219, nxpk= 25, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 100, 101,
&end
#
# 10 GLY HN 6 LYS HG- 7.00 (# 1220:25 Preassigned 3.66, 4.54 A)
&rst
ixpk= 1220, nxpk= 25, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 100, 101,
&end
#
# 68 HIS HD2 6 LYS HG- 7.00 (# 1221:25 Preassigned 5.64, 7.14 A)
&rst
ixpk= 1221, nxpk= 25, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 100, 101,
&end
#
# 6 LYS HA 6 LYS HG- 4.50 (# 1222:25 Preassigned 2.25, 2.63 A)
&rst
ixpk= 1222, nxpk= 25, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 100, 101,
&end
#
# 12 THR HA 6 LYS HG- 5.50 (# 1223:25 Preassigned 2.22, 3.29 A)
&rst
ixpk= 1223, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 100, 101,
&end
#
# 0 AMB 25-3:1224 6 LYS HG- 5.50 (# 1224:25 Single Ambig)
&rst
ixpk= 1224, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 79, 150,
igr2= 100, 101,
&end
#
# 10 GLY HA- 6 LYS HG- 5.50 (# 1225:25 Preassigned 3.28, 4.72 A)
&rst
ixpk= 1225, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 164, 165,
igr2= 100, 101,
&end
#
# 10 GLY HA+ 6 LYS HG- 5.50 (# 1227:25 Preassigned 3.28, 4.72 A)
&rst
ixpk= 1227, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 164, 165,
igr2= 100, 101,
&end
#
# 0 AMB 25-3:1228 6 LYS HG- 4.50 (# 1228:25 Single Ambig)
&rst
ixpk= 1228, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 106, 107, 106, 107,
igr2= 100, 101,
&end
#
# 0 AMB 25-3:1229 6 LYS HG- 2.80 (# 1229:25 Single Ambig)
&rst
ixpk= 1229, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 103, 104, 103, 104, 97, 98,
igr2= 100, 101,
&end
#
# 12 THR QG2 6 LYS HG- 4.50 (# 1230:25 Preassigned 2.55, 4.70 A)
&rst
ixpk= 1230, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 197, 198, 199,
igr2= 100, 101,
&end
#
# 66 THR QG2 6 LYS HG- 4.50 (# 1231:25 Preassigned 4.36, 5.66 A)
&rst
ixpk= 1231, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1053,1054,1055,
igr2= 100, 101,
&end
#
# 6 LYS HN 0 AMB 25-1:1232 5.50 (# 1232:25 Single Ambig)
&rst
ixpk= 1232, nxpk= 25, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 103, 104, 103, 104,
&end
#
# 7 THR HN 0 AMB 25-1:1233 5.50 (# 1233:25 Single Ambig)
&rst
ixpk= 1233, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 179, 180, 179, 180,
&end
#
# 11 LYS HN 0 AMB 25-1:1234 4.50 (# 1234:25 Single Ambig)
&rst
ixpk= 1234, nxpk= 25, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 179, 180, 179, 180, 103, 104,
&end
#
# 68 HIS HD2 0 AMB 25-1:1235 7.00 (# 1235:25 Single Ambig)
&rst
ixpk= 1235, nxpk= 25, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 103, 104, 103, 104,
&end
#
# 0 AMB 25-3:1236 0 AMB 25-1:1236 4.50 (# 1236:25 Double Ambig)
&rst
ixpk= 1236, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 95,1049,
igr2= 103, 104, 103, 104, 103, 104,
&end
#
# 12 THR HA 0 AMB 25-1:1237 5.50 (# 1237:25 Single Ambig)
&rst
ixpk= 1237, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 103, 104, 103, 104,
&end
#
# 0 AMB 25-3:1239 0 AMB 25-1:1239 4.50 (# 1239:25 Double Ambig)
&rst
ixpk= 1239, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 207, 171,
igr2= 179, 180, 179, 180, 179, 180,
&end
#
# 66 THR HB 0 AMB 25-1:1240 5.50 (# 1240:25 Single Ambig)
&rst
ixpk= 1240, nxpk= 25, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 103, 104, 103, 104,
&end
#
# 0 AMB 25-3:1241 0 AMB 25-1:1241 3.50 (# 1241:25 Double Ambig)
&rst
ixpk= 1241, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 106, 107, 106, 107, 106, 107,
igr2= 103, 104, 103, 104, 103, 104,
&end
#
# 0 AMB 25-3:1242 0 AMB 25-1:1242 2.80 (# 1242:25 Double Ambig)
&rst
ixpk= 1242, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 100, 101, 97, 98, 97, 98,
igr2= 103, 104, 103, 104, 103, 104,
&end
#
# 12 THR QG2 0 AMB 25-1:1243 3.50 (# 1243:25 Single Ambig)
&rst
ixpk= 1243, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 197, 198, 199,
igr2= 103, 104, 103, 104,
&end
#
# 66 THR QG2 0 AMB 25-1:1244 3.50 (# 1244:25 Single Ambig)
&rst
ixpk= 1244, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1053,1054,1055,
igr2= 103, 104, 103, 104,
&end
#
# 8 LEU HN 7 THR HA 7.00 (# 1245:25 Preassigned 2.29, 2.36 A)
&rst
ixpk= 1245, nxpk= 25, iat= 129, 117, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:1246 0 AMB 25-1:1246 4.50 (# 1246:25 Double Ambig)
&rst
ixpk= 1246, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 115, 872,
igr2= 117, 874,
&end
#
# 69 LEU HN 7 THR HA 3.50 (# 1247:25 Unique 2.27, 2.34 A)
&rst
ixpk= 1247, nxpk= 25, iat=1097, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 THR HB 55 THR HA 4.50 (# 1248:25 Preassigned 4.27, 4.30 A)
&rst
ixpk= 1248, nxpk= 25, iat= 344, 874, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1249 7 THR HA 7.00 (# 1249:25 Single Ambig)
&rst
ixpk= 1249, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 133, 134, 133, 134,
&end
#
# 6 LYS HG+ 7 THR HA 7.00 (# 1250:25 Preassigned 4.32, 5.45 A)
&rst
ixpk= 1250, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 100, 101,
&end
#
# 7 THR QG2 7 THR HA 3.50 (# 1251:25 Preassigned 2.44, 3.04 A)
&rst
ixpk= 1251, nxpk= 25, iat= -1, 117, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 121, 122, 123,
&end
#
# 26 VAL QG+ 55 THR HA 4.50 (# 1252:25 Preassigned 4.90, 6.99 A)
&rst
ixpk= 1252, nxpk= 25, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 408, 409, 410, 412, 413, 414,
&end
#
# 0 AMB 25-3:1253 55 THR HA 3.50 (# 1253:25 Single Ambig)
&rst
ixpk= 1253, nxpk= 25, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 895, 896, 897, 899, 900, 901, 408, 409, 410, 412,
413, 414,
&end
#
# 56 LEU HG 55 THR HA 5.50 (# 1254:25 Preassigned 4.22, 4.25 A)
&rst
ixpk= 1254, nxpk= 25, iat= 893, 874, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1255 0 AMB 25-1:1255 5.50 (# 1255:25 Double Ambig)
&rst
ixpk= 1255, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 136, 890, 891,
igr2= 117, 874,
&end
#
# 58 ASP HA 55 THR HA 7.00 (# 1256:25 Preassigned 6.72, 6.74 A)
&rst
ixpk= 1256, nxpk= 25, iat= 918, 874, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:1257 55 THR HA 4.50 (# 1257:25 Single Ambig)
&rst
ixpk= 1257, nxpk= 25, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 850, 330,
&end
#
# 9 THR HN 7 THR HA 5.50 (# 1258:25 Preassigned 3.82, 3.87 A)
&rst
ixpk= 1258, nxpk= 25, iat= 148, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 LYS HN 7 THR HA 7.00 (# 1259:25 Preassigned 4.81, 4.89 A)
&rst
ixpk= 1259, nxpk= 25, iat= 169, 117, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:1260 55 THR HA 5.50 (# 1260:25 Single Ambig)
&rst
ixpk= 1260, nxpk= 25, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 319, 831,
&end
#
# 53 GLY HA+ 55 THR HA 7.00 (# 1261:25 Preassigned 6.82, 7.18 A)
&rst
ixpk= 1261, nxpk= 25, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 843, 844,
&end
#
# 23 ILE HA 55 THR HA 5.50 (# 1262:25 Preassigned 4.34, 4.42 A)
&rst
ixpk= 1262, nxpk= 25, iat= 356, 874, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 LEU QD- 7 THR QG2 2.80 (# 1263:25 Unique 2.27, 4.70 A)
&rst
ixpk= 1263, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1106,1107,1108,1110,1111,1112,
igr2= 121, 122, 123,
&end
#
# 0 AMB 25-3:1264 7 THR QG2 3.50 (# 1264:25 Single Ambig)
&rst
ixpk= 1264, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1106,1107,1108,1110,1111,1112, 211, 212, 213,
igr2= 121, 122, 123,
&end
#
# 13 ILE HG1- 7 THR QG2 5.50 (# 1265:25 Preassigned 6.29, 7.17 A)
&rst
ixpk= 1265, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 215, 216,
igr2= 121, 122, 123,
&end
#
# 69 LEU HB+ 7 THR QG2 4.50 (# 1266:25 Preassigned 1.94, 3.21 A)
&rst
ixpk= 1266, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1101,1102,
igr2= 121, 122, 123,
&end
#
# 0 AMB 25-3:1267 7 THR QG2 4.50 (# 1267:25 Single Ambig)
&rst
ixpk= 1267, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 100, 101, 215, 216,
igr2= 121, 122, 123,
&end
#
# 0 AMB 25-3:1268 7 THR QG2 3.50 (# 1268:25 Single Ambig)
&rst
ixpk= 1268, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1101,1102, 179, 180, 179, 180,
igr2= 121, 122, 123,
&end
#
# 11 LYS HB+ 7 THR QG2 3.50 (# 1269:25 Preassigned 3.34, 5.18 A)
&rst
ixpk= 1269, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 173, 174,
igr2= 121, 122, 123,
&end
#
# 11 LYS HB- 7 THR QG2 3.50 (# 1270:25 Preassigned 3.34, 5.18 A)
&rst
ixpk= 1270, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 173, 174,
igr2= 121, 122, 123,
&end
#
# 0 AMB 25-3:1271 0 AMB 25-1:1271 3.50 (# 1271:25 Double Ambig)
&rst
ixpk= 1271, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 377, 378, 377, 378, 852, 853, 133, 134, 133, 134,
482, 483,
igr2= 346, 347, 348, 121, 122, 123,
&end
#
# 52 ASP HB+ 22 THR QG2 5.50 (# 1273:25 Unique 6.30, 7.64 A)
&rst
ixpk= 1273, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 833, 834,
igr2= 346, 347, 348,
&end
#
# 0 AMB 25-3:1275 7 THR QG2 4.50 (# 1275:25 Single Ambig)
&rst
ixpk= 1275, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 182, 183, 182, 183,
igr2= 121, 122, 123,
&end
#
# 53 GLY HA- 22 THR QG2 4.50 (# 1276:25 Unique 3.91, 5.29 A)
&rst
ixpk= 1276, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 843, 844,
igr2= 346, 347, 348,
&end
#
# 0 AMB 25-3:1277 0 AMB 25-1:1277 5.50 (# 1277:25 Double Ambig)
&rst
ixpk= 1277, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1118, 131,
igr2= 121, 122, 123, 154, 155, 156,
&end
#
# 7 THR HB 7 THR QG2 3.50 (# 1278:25 Preassigned 2.25, 2.64 A)
&rst
ixpk= 1278, nxpk= 25, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 121, 122, 123,
&end
#
# 12 THR HA 7 THR QG2 4.50 (# 1279:25 Preassigned 4.63, 5.81 A)
&rst
ixpk= 1279, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 121, 122, 123,
&end
#
# 6 LYS HA 7 THR QG2 4.50 (# 1280:25 Preassigned 3.74, 4.90 A)
&rst
ixpk= 1280, nxpk= 25, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 121, 122, 123,
&end
#
# 7 THR HA 7 THR QG2 2.80 (# 1281:25 Preassigned 2.44, 3.04 A)
&rst
ixpk= 1281, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 121, 122, 123,
&end
#
# 11 LYS HN 0 AMB 25-1:1282 4.50 (# 1282:25 Single Ambig)
&rst
ixpk= 1282, nxpk= 25, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 154, 155, 156, 121, 122, 123,
&end
#
# 9 THR HN 9 THR QG2 3.50 (# 1283:25 Preassigned 3.99, 4.48 A)
&rst
ixpk= 1283, nxpk= 25, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 154, 155, 156,
&end
#
# 10 GLY HN 0 AMB 25-1:1284 4.50 (# 1284:25 Single Ambig)
&rst
ixpk= 1284, nxpk= 25, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 154, 155, 156, 121, 122, 123,
&end
#
# 69 LEU HN 7 THR QG2 4.50 (# 1285:25 Preassigned 3.81, 4.71 A)
&rst
ixpk= 1285, nxpk= 25, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 121, 122, 123,
&end
#
# 7 THR HN 7 THR QG2 3.50 (# 1286:25 Preassigned 2.36, 3.32 A)
&rst
ixpk= 1286, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 121, 122, 123,
&end
#
# 8 LEU HN 7 THR QG2 3.50 (# 1287:25 Unique 3.92, 4.51 A)
&rst
ixpk= 1287, nxpk= 25, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 121, 122, 123,
&end
#
# 13 ILE HN 7 THR QG2 5.50 (# 1288:25 Preassigned 4.07, 5.17 A)
&rst
ixpk= 1288, nxpk= 25, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 121, 122, 123,
&end
#
# 5 VAL HN 7 THR QG2 7.00 (# 1289:25 Preassigned 6.47, 7.52 A)
&rst
ixpk= 1289, nxpk= 25, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 121, 122, 123,
&end
#
# 34 GLU HB+ 7 THR QG2 5.50 (# 1290:25 Preassigned 3.86, 5.00 A)
&rst
ixpk= 1290, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 546, 547,
igr2= 121, 122, 123,
&end
#
# 69 LEU HG 7 THR QG2 3.50 (# 1291:25 Unique 2.00, 3.06 A)
&rst
ixpk= 1291, nxpk= 25, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 121, 122, 123,
&end
#
# 11 LYS HG+ 7 THR QG2 4.50 (# 1292:25 Preassigned 2.24, 3.60 A)
&rst
ixpk= 1292, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 176, 177,
igr2= 121, 122, 123,
&end
#
# 8 LEU HN 8 LEU HA 4.50 (# 1293:25 Preassigned 2.78, 2.82 A)
&rst
ixpk= 1293, nxpk= 25, iat= 129, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1294 8 LEU HA 5.50 (# 1294:25 Single Ambig)
&rst
ixpk= 1294, nxpk= 25, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1106,1107,1108,1110,1111,1112, 713, 714, 715,
&end
#
# 9 THR HN 8 LEU HA 4.50 (# 1295:25 Preassigned 3.07, 3.25 A)
&rst
ixpk= 1295, nxpk= 25, iat= 148, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1296 8 LEU HA 5.50 (# 1296:25 Single Ambig)
&rst
ixpk= 1296, nxpk= 25, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 106, 107, 106, 107,
&end
#
# 10 GLY HN 8 LEU HA 4.50 (# 1297:25 Preassigned 3.60, 3.74 A)
&rst
ixpk= 1297, nxpk= 25, iat= 162, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 TYR HN 58 ASP HA 4.50 (# 1298:25 Preassigned 3.32, 3.34 A)
&rst
ixpk= 1298, nxpk= 25, iat= 928, 918, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1299 0 AMB 25-1:1299 5.50 (# 1299:25 Double Ambig)
&rst
ixpk= 1299, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 103, 104, 103, 104, 97, 98, 855, 856,
igr2= 131, 918,
&end
#
# 0 AMB 25-3:1300 8 LEU HA 7.00 (# 1300:25 Single Ambig)
&rst
ixpk= 1300, nxpk= 25, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 100, 101,1101,1102,
&end
#
# 7 THR HB 0 AMB 25-1:1302 4.50 (# 1302:25 Single Ambig)
&rst
ixpk= 1302, nxpk= 25, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 133, 134, 133, 134,
&end
#
# 7 THR HA 0 AMB 25-1:1303 4.50 (# 1303:25 Single Ambig)
&rst
ixpk= 1303, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 133, 134, 133, 134,
&end
#
# 9 THR HN 0 AMB 25-1:1304 4.50 (# 1304:25 Single Ambig)
&rst
ixpk= 1304, nxpk= 25, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 133, 134, 133, 134,
&end
#
# 11 LYS HN 0 AMB 25-1:1305 5.50 (# 1305:25 Single Ambig)
&rst
ixpk= 1305, nxpk= 25, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 133, 134, 133, 134,
&end
#
# 71 LEU HB- 0 AMB 25-1:1308 5.50 (# 1308:25 Single Ambig)
&rst
ixpk= 1308, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1136,1137,
igr2= 133, 134, 133, 134,
&end
#
# 71 LEU HN 0 AMB 25-1:1310 5.50 (# 1310:25 Single Ambig)
&rst
ixpk= 1310, nxpk= 25, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 133, 134, 133, 134,
&end
#
# 10 GLY HN 0 AMB 25-1:1311 5.50 (# 1311:25 Single Ambig)
&rst
ixpk= 1311, nxpk= 25, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 133, 134, 133, 134,
&end
#
# 69 LEU QD- 8 LEU HG 4.50 (# 1312:25 Preassigned 3.92, 5.67 A)
&rst
ixpk= 1312, nxpk= 25, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 70 VAL QG- 8 LEU HG 3.50 (# 1313:25 Preassigned 1.94, 4.36 A)
&rst
ixpk= 1313, nxpk= 25, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1122,1123,1124,1126,1127,1128,
&end
#
# 8 LEU QD+ 8 LEU HG 3.50 (# 1314:25 Preassigned 2.21, 2.63 A)
&rst
ixpk= 1314, nxpk= 25, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 8 LEU QD- 8 LEU HG 3.50 (# 1315:25 Preassigned 2.21, 2.63 A)
&rst
ixpk= 1315, nxpk= 25, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:1316 0 AMB 25-1:1316 2.80 (# 1316:25 Double Ambig)
&rst
ixpk= 1316, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 133, 134, 133, 134, 590, 591,
igr2= 136, 587, 588,
&end
#
# 0 AMB 25-3:1317 8 LEU HG 3.50 (# 1317:25 Single Ambig)
&rst
ixpk= 1317, nxpk= 25, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 131,1118,
&end
#
# 8 LEU HN 8 LEU HG 4.50 (# 1318:25 Preassigned 2.75, 2.90 A)
&rst
ixpk= 1318, nxpk= 25, iat= 129, 136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 THR HB 8 LEU HG 5.50 (# 1319:25 Preassigned 5.08, 5.35 A)
&rst
ixpk= 1319, nxpk= 25, iat= 119, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 THR HA 8 LEU HG 5.50 (# 1320:25 Preassigned 4.30, 4.54 A)
&rst
ixpk= 1320, nxpk= 25, iat= 117, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LEU HN 8 LEU HG 5.50 (# 1321:25 Preassigned 4.72, 5.30 A)
&rst
ixpk= 1321, nxpk= 25, iat=1132, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1322 0 AMB 25-1:1322 5.50 (# 1322:25 Double Ambig)
&rst
ixpk= 1322, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 640, 148,
igr2= 587, 588, 136,
&end
#
# 31 GLN HE2- 37 PRO HG+ 7.00 (# 1323:25 Preassigned 4.96, 6.10 A)
&rst
ixpk= 1323, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 503, 504,
igr2= 587, 588,
&end
#
# 41 GLN HE2- 37 PRO HG+ 7.00 (# 1324:25 Preassigned 5.66, 7.15 A)
&rst
ixpk= 1324, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 652, 653,
igr2= 587, 588,
&end
#
# 36 ILE HG1- 71 LEU QD- 4.50 (# 1325:25 Unique 2.93, 5.57 A)
&rst
ixpk= 1325, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 574, 575,
igr2=1141,1142,1143,1145,1146,1147,
&end
#
# 8 LEU HN 8 LEU QD- 4.50 (# 1335:25 Preassigned 2.97, 4.62 A)
&rst
ixpk= 1335, nxpk= 25, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 71 LEU HN 8 LEU QD- 4.50 (# 1336:25 Preassigned 3.98, 6.37 A)
&rst
ixpk= 1336, nxpk= 25, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 8 LEU HA 8 LEU QD- 3.50 (# 1340:25 Preassigned 1.87, 3.53 A)
&rst
ixpk= 1340, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 68 HIS HB+ 8 LEU QD- 4.50 (# 1342:25 Preassigned 3.20, 6.28 A)
&rst
ixpk= 1342, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1084,1085,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 8 LEU HG 8 LEU QD- 3.50 (# 1343:25 Preassigned 2.21, 2.63 A)
&rst
ixpk= 1343, nxpk= 25, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:1344 8 LEU QD- 2.80 (# 1344:25 Single Ambig)
&rst
ixpk= 1344, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 133, 134, 133, 134,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 44 ILE HB 8 LEU QD- 4.50 (# 1345:25 Unique 4.71, 6.19 A)
&rst
ixpk= 1345, nxpk= 25, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 70 VAL QG- 8 LEU QD- 3.50 (# 1348:25 Preassigned 1.90, 5.39 A)
&rst
ixpk= 1348, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1122,1123,1124,1126,1127,1128,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 44 ILE QD1 8 LEU QD- 3.50 (# 1350:25 Unique 3.47, 5.82 A)
&rst
ixpk= 1350, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 713, 714, 715,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 7 THR HA 8 LEU QD- 5.50 (# 1353:25 Preassigned 4.19, 6.31 A)
&rst
ixpk= 1353, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 68 HIS HD2 8 LEU QD- 5.50 (# 1354:25 Unique 1.88, 4.08 A)
&rst
ixpk= 1354, nxpk= 25, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 9 THR HN 8 LEU QD- 5.50 (# 1356:25 Preassigned 4.85, 6.05 A)
&rst
ixpk= 1356, nxpk= 25, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 10 GLY HN 8 LEU QD- 5.50 (# 1357:25 Preassigned 5.30, 7.03 A)
&rst
ixpk= 1357, nxpk= 25, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 9 THR HN 9 THR HB 5.50 (# 1358:25 Preassigned 2.33, 2.39 A)
&rst
ixpk= 1358, nxpk= 25, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 GLY HN 9 THR HB 5.50 (# 1359:25 Preassigned 3.20, 3.29 A)
&rst
ixpk= 1359, nxpk= 25, iat= 162, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 LYS HN 9 THR HB 7.00 (# 1360:25 Preassigned 3.17, 3.39 A)
&rst
ixpk= 1360, nxpk= 25, iat= 169, 152, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 10 GLY HA+ 9 THR HB 5.50 (# 1362:25 Preassigned 4.93, 5.19 A)
&rst
ixpk= 1362, nxpk= 25, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 164, 165,
&end
#
# 11 LYS HB- 9 THR HB 5.50 (# 1363:25 Preassigned 3.20, 4.18 A)
&rst
ixpk= 1363, nxpk= 25, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 173, 174,
&end
#
# 30 ILE HB 7 THR QG2 7.00 (# 1364:25 Unique 6.81, 7.50 A)
&rst
ixpk= 1364, nxpk= 25, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 121, 122, 123,
&end
#
# 20 SER HB- 22 THR QG2 5.50 (# 1366:25 Preassigned 6.18, 7.76 A)
&rst
ixpk= 1366, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 321, 322,
igr2= 346, 347, 348,
&end
#
# 9 THR HN 10 GLY HA- 5.50 (# 1367:25 Preassigned 4.36, 4.79 A)
&rst
ixpk= 1367, nxpk= 25, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 164, 165,
&end
#
# 11 LYS HN 10 GLY HA- 4.50 (# 1368:25 Preassigned 2.99, 3.26 A)
&rst
ixpk= 1368, nxpk= 25, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 164, 165,
&end
#
# 9 THR HA 10 GLY HA- 4.50 (# 1369:25 Preassigned 4.48, 4.75 A)
&rst
ixpk= 1369, nxpk= 25, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 164, 165,
&end
#
# 0 AMB 25-3:1370 10 GLY HA- 4.50 (# 1370:25 Single Ambig)
&rst
ixpk= 1370, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 106, 107, 106, 107,
igr2= 164, 165,
&end
#
# 0 AMB 25-3:1372 10 GLY HA- 4.50 (# 1372:25 Single Ambig)
&rst
ixpk= 1372, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 103, 104, 103, 104,
igr2= 164, 165,
&end
#
# 6 LYS HG- 10 GLY HA- 5.50 (# 1373:25 Preassigned 3.28, 4.72 A)
&rst
ixpk= 1373, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 100, 101,
igr2= 164, 165,
&end
#
# 9 THR QG2 10 GLY HA- 5.50 (# 1374:25 Unique 3.76, 5.27 A)
&rst
ixpk= 1374, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 154, 155, 156,
igr2= 164, 165,
&end
#
# 7 THR HN 10 GLY HA+ 7.00 (# 1375:25 Preassigned 4.96, 5.66 A)
&rst
ixpk= 1375, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 164, 165,
&end
#
# 9 THR HN 10 GLY HA+ 5.50 (# 1376:25 Preassigned 4.36, 4.79 A)
&rst
ixpk= 1376, nxpk= 25, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 164, 165,
&end
#
# 11 LYS HN 10 GLY HA+ 4.50 (# 1377:25 Preassigned 2.99, 3.26 A)
&rst
ixpk= 1377, nxpk= 25, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 164, 165,
&end
#
# 9 THR HA 10 GLY HA+ 4.50 (# 1378:25 Preassigned 4.48, 4.75 A)
&rst
ixpk= 1378, nxpk= 25, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 164, 165,
&end
#
# 8 LEU HA 10 GLY HA+ 5.50 (# 1379:25 Preassigned 4.92, 5.64 A)
&rst
ixpk= 1379, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 164, 165,
&end
#
# 0 AMB 25-3:1380 0 AMB 25-1:1380 4.50 (# 1380:25 Double Ambig)
&rst
ixpk= 1380, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 106, 107, 106, 107,
igr2= 164, 165, 164, 165,
&end
#
# 0 AMB 25-3:1383 0 AMB 25-1:1383 4.50 (# 1383:25 Double Ambig)
&rst
ixpk= 1383, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 103, 104, 103, 104,
igr2= 164, 165, 164, 165,
&end
#
# 6 LYS HG- 10 GLY HA+ 5.50 (# 1384:25 Preassigned 3.28, 4.72 A)
&rst
ixpk= 1384, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 100, 101,
igr2= 164, 165,
&end
#
# 9 THR QG2 10 GLY HA+ 5.50 (# 1385:25 Unique 3.76, 5.27 A)
&rst
ixpk= 1385, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 154, 155, 156,
igr2= 164, 165,
&end
#
# 0 AMB 25-3:1386 0 AMB 25-1:1386 5.50 (# 1386:25 Double Ambig)
&rst
ixpk= 1386, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 799, 800, 197, 198, 199,
igr2= 831, 171,
&end
#
# 11 LYS HG- 11 LYS HA 4.50 (# 1387:25 Preassigned 2.79, 3.71 A)
&rst
ixpk= 1387, nxpk= 25, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 176, 177,
&end
#
# 0 AMB 25-3:1388 11 LYS HA 5.50 (# 1388:25 Single Ambig)
&rst
ixpk= 1388, nxpk= 25, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 182, 183, 182, 183,
&end
#
# 42 ARG HB- 72 ARG HA 5.50 (# 1389:25 Unique 1.59, 2.36 A)
&rst
ixpk= 1389, nxpk= 25, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 661, 662,
&end
#
# 0 AMB 25-3:1390 0 AMB 25-1:1390 5.50 (# 1390:25 Double Ambig)
&rst
ixpk= 1390, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 195, 843, 844,1220,1221,
igr2= 171, 831,1153,
&end
#
# 22 THR HB 52 ASP HA 5.50 (# 1391:25 Preassigned 3.93, 4.02 A)
&rst
ixpk= 1391, nxpk= 25, iat= 344, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1392 0 AMB 25-1:1392 5.50 (# 1392:25 Double Ambig)
&rst
ixpk= 1392, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1134, 193,
igr2=1153, 171,
&end
#
# 13 ILE QG2 11 LYS HB- 5.50 (# 1394:25 Preassigned 5.14, 6.62 A)
&rst
ixpk= 1394, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 211, 212, 213,
igr2= 173, 174,
&end
#
# 11 LYS HG+ 11 LYS HB- 3.50 (# 1395:25 Preassigned 2.21, 2.66 A)
&rst
ixpk= 1395, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 176, 177,
igr2= 173, 174,
&end
#
# 0 AMB 25-3:1396 11 LYS HB- 4.50 (# 1396:25 Single Ambig)
&rst
ixpk= 1396, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 182, 183, 182, 183,
igr2= 173, 174,
&end
#
# 10 GLY HA+ 11 LYS HB- 7.00 (# 1397:25 Preassigned 4.88, 5.52 A)
&rst
ixpk= 1397, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 164, 165,
igr2= 173, 174,
&end
#
# 11 LYS HA 11 LYS HB- 3.50 (# 1398:25 Preassigned 2.23, 2.54 A)
&rst
ixpk= 1398, nxpk= 25, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 173, 174,
&end
#
# 7 THR HB 11 LYS HB- 4.50 (# 1399:25 Preassigned 4.33, 5.25 A)
&rst
ixpk= 1399, nxpk= 25, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 173, 174,
&end
#
# 12 THR HA 11 LYS HB- 7.00 (# 1400:25 Preassigned 5.18, 5.40 A)
&rst
ixpk= 1400, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 173, 174,
&end
#
# 7 THR HA 11 LYS HB- 5.50 (# 1401:25 Preassigned 5.42, 6.46 A)
&rst
ixpk= 1401, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 173, 174,
&end
#
# 10 GLY HN 11 LYS HB- 5.50 (# 1402:25 Preassigned 4.02, 4.79 A)
&rst
ixpk= 1402, nxpk= 25, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 173, 174,
&end
#
# 12 THR HN 11 LYS HB- 4.50 (# 1403:25 Preassigned 3.01, 3.68 A)
&rst
ixpk= 1403, nxpk= 25, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 173, 174,
&end
#
# 7 THR HN 11 LYS HB- 5.50 (# 1404:25 Preassigned 3.45, 4.40 A)
&rst
ixpk= 1404, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 173, 174,
&end
#
# 35 GLY HN 34 GLU HB- 4.50 (# 1405:25 Preassigned 2.70, 3.28 A)
&rst
ixpk= 1405, nxpk= 25, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 546, 547,
&end
#
# 36 ILE HN 34 GLU HB- 5.50 (# 1406:25 Preassigned 2.67, 3.14 A)
&rst
ixpk= 1406, nxpk= 25, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 546, 547,
&end
#
# 34 GLU HA 34 GLU HB- 3.50 (# 1407:25 Preassigned 2.48, 2.76 A)
&rst
ixpk= 1407, nxpk= 25, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 546, 547,
&end
#
# 34 GLU HG- 34 GLU HB- 3.50 (# 1408:25 Preassigned 2.21, 2.54 A)
&rst
ixpk= 1408, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 549, 550,
igr2= 546, 547,
&end
#
# 34 GLU HG+ 34 GLU HB- 3.50 (# 1409:25 Preassigned 2.21, 2.54 A)
&rst
ixpk= 1409, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 549, 550,
igr2= 546, 547,
&end
#
# 36 ILE HG1+ 34 GLU HB- 4.50 (# 1410:25 Preassigned 2.93, 4.07 A)
&rst
ixpk= 1410, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 574, 575,
igr2= 546, 547,
&end
#
# 0 AMB 25-3:1411 0 AMB 25-1:1411 3.50 (# 1411:25 Double Ambig)
&rst
ixpk= 1411, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1106,1107,1108,1110,1111,1112, 478, 479, 480,
igr2= 647, 648, 546, 547,
&end
#
# 0 AMB 25-3:1412 0 AMB 25-1:1412 5.50 (# 1412:25 Double Ambig)
&rst
ixpk= 1412, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 474, 584, 585,
igr2= 546, 547, 647, 648,
&end
#
# 31 GLN HA 34 GLU HB- 7.00 (# 1413:25 Unique 3.30, 4.09 A)
&rst
ixpk= 1413, nxpk= 25, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 546, 547,
&end
#
# 41 GLN HN 41 GLN HG- 5.50 (# 1414:25 Preassigned 4.35, 4.60 A)
&rst
ixpk= 1414, nxpk= 25, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 647, 648,
&end
#
# 34 GLU HN 34 GLU HB- 3.50 (# 1415:25 Preassigned 2.56, 3.17 A)
&rst
ixpk= 1415, nxpk= 25, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 546, 547,
&end
#
# 12 THR HN 11 LYS HG+ 4.50 (# 1416:25 Preassigned 2.29, 3.58 A)
&rst
ixpk= 1416, nxpk= 25, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 176, 177,
&end
#
# 11 LYS HN 11 LYS HG+ 4.50 (# 1417:25 Preassigned 3.39, 3.71 A)
&rst
ixpk= 1417, nxpk= 25, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 176, 177,
&end
#
# 11 LYS HA 11 LYS HG+ 3.50 (# 1418:25 Preassigned 2.79, 3.71 A)
&rst
ixpk= 1418, nxpk= 25, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 176, 177,
&end
#
# 0 AMB 25-3:1419 0 AMB 25-1:1419 3.50 (# 1419:25 Double Ambig)
&rst
ixpk= 1419, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 182, 183, 182, 183,
igr2= 176, 177, 176, 177,
&end
#
# 11 LYS HB- 11 LYS HG+ 3.50 (# 1420:25 Preassigned 2.21, 2.66 A)
&rst
ixpk= 1420, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 173, 174,
igr2= 176, 177,
&end
#
# 0 AMB 25-3:1421 0 AMB 25-1:1421 2.80 (# 1421:25 Double Ambig)
&rst
ixpk= 1421, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 179, 180, 179, 180,
igr2= 176, 177, 176, 177,
&end
#
# 0 AMB 25-3:1422 0 AMB 25-1:1422 5.50 (# 1422:25 Double Ambig)
&rst
ixpk= 1422, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1= 197, 198, 199,1101,1102, 215, 216,
igr2= 176, 177, 176, 177, 176, 177,
&end
#
# 10 GLY HA- 11 LYS HG+ 5.50 (# 1423:25 Preassigned 6.12, 6.73 A)
&rst
ixpk= 1423, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 164, 165,
igr2= 176, 177,
&end
#
# 7 THR HB 11 LYS HG+ 7.00 (# 1424:25 Preassigned 4.00, 4.60 A)
&rst
ixpk= 1424, nxpk= 25, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 176, 177,
&end
#
# 12 THR HA 11 LYS HG+ 7.00 (# 1425:25 Preassigned 3.14, 4.12 A)
&rst
ixpk= 1425, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 176, 177,
&end
#
# 10 GLY HN 11 LYS HG+ 7.00 (# 1426:25 Preassigned 5.24, 5.49 A)
&rst
ixpk= 1426, nxpk= 25, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 176, 177,
&end
#
# 69 LEU QD- 11 LYS HG- 7.00 (# 1427:25 Preassigned 5.59, 7.94 A)
&rst
ixpk= 1427, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1106,1107,1108,1110,1111,1112,
igr2= 176, 177,
&end
#
# 0 AMB 25-3:1428 11 LYS HG- 5.50 (# 1428:25 Single Ambig)
&rst
ixpk= 1428, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 197, 198, 199,1101,1102, 215, 216,
igr2= 176, 177,
&end
#
# 0 AMB 25-3:1429 11 LYS HG- 3.50 (# 1429:25 Single Ambig)
&rst
ixpk= 1429, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 179, 180, 179, 180,
igr2= 176, 177,
&end
#
# 11 LYS HB- 11 LYS HG- 3.50 (# 1430:25 Preassigned 2.21, 2.66 A)
&rst
ixpk= 1430, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 173, 174,
igr2= 176, 177,
&end
#
# 0 AMB 25-3:1431 11 LYS HG- 3.50 (# 1431:25 Single Ambig)
&rst
ixpk= 1431, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 182, 183, 182, 183,
igr2= 176, 177,
&end
#
# 13 ILE HA 11 LYS HG- 4.50 (# 1432:25 Preassigned 4.43, 5.30 A)
&rst
ixpk= 1432, nxpk= 25, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 176, 177,
&end
#
# 11 LYS HN 11 LYS HG- 5.50 (# 1433:25 Preassigned 3.39, 3.71 A)
&rst
ixpk= 1433, nxpk= 25, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 176, 177,
&end
#
# 12 THR HN 11 LYS HG- 4.50 (# 1434:25 Preassigned 2.29, 3.58 A)
&rst
ixpk= 1434, nxpk= 25, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 176, 177,
&end
#
# 13 ILE HN 11 LYS HG- 5.50 (# 1435:25 Preassigned 3.26, 4.06 A)
&rst
ixpk= 1435, nxpk= 25, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 176, 177,
&end
#
# 7 THR HN 11 LYS HG- 7.00 (# 1436:25 Unique 2.45, 3.23 A)
&rst
ixpk= 1436, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 176, 177,
&end
#
# 12 THR HA 11 LYS HG- 5.50 (# 1437:25 Preassigned 3.14, 4.12 A)
&rst
ixpk= 1437, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 176, 177,
&end
#
# 33 LYS HB+ 11 LYS HG- 7.00 (# 1439:25 Unique 7.30, 7.64 A)
&rst
ixpk= 1439, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 524, 525,
igr2= 176, 177,
&end
#
# 11 LYS HG- 0 AMB 25-1:1440 3.50 (# 1440:25 Single Ambig)
&rst
ixpk= 1440, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 176, 177,
igr2= 179, 180, 179, 180,
&end
#
# 0 AMB 25-3:1441 0 AMB 25-1:1441 3.50 (# 1441:25 Double Ambig)
&rst
ixpk= 1441, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 182, 183, 182, 183, 182, 183,
igr2= 179, 180, 179, 180, 179, 180,
&end
#
# 0 AMB 25-3:1442 0 AMB 25-1:1442 4.50 (# 1442:25 Double Ambig)
&rst
ixpk= 1442, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 207, 171,
igr2= 179, 180, 179, 180, 179, 180,
&end
#
# 13 ILE QD1 0 AMB 25-1:1443 4.50 (# 1443:25 Single Ambig)
&rst
ixpk= 1443, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 218, 219, 220,
igr2= 179, 180, 179, 180,
&end
#
# 13 ILE QD1 0 AMB 25-1:1444 4.50 (# 1444:25 Single Ambig)
&rst
ixpk= 1444, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 218, 219, 220,
igr2= 182, 183, 182, 183,
&end
#
# 13 ILE QG2 0 AMB 25-1:1445 4.50 (# 1445:25 Single Ambig)
&rst
ixpk= 1445, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 211, 212, 213,
igr2= 182, 183, 182, 183,
&end
#
# 13 ILE HG1- 0 AMB 25-1:1446 4.50 (# 1446:25 Single Ambig)
&rst
ixpk= 1446, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 215, 216,
igr2= 182, 183, 182, 183,
&end
#
# 13 ILE HB 0 AMB 25-1:1447 4.50 (# 1447:25 Single Ambig)
&rst
ixpk= 1447, nxpk= 25, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 182, 183, 182, 183,
&end
#
# 13 ILE HA 0 AMB 25-1:1448 4.50 (# 1448:25 Single Ambig)
&rst
ixpk= 1448, nxpk= 25, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 182, 183, 182, 183,
&end
#
# 7 THR HB 0 AMB 25-1:1449 4.50 (# 1449:25 Single Ambig)
&rst
ixpk= 1449, nxpk= 25, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 182, 183, 182, 183,
&end
#
# 12 THR HN 0 AMB 25-1:1450 5.50 (# 1450:25 Single Ambig)
&rst
ixpk= 1450, nxpk= 25, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 182, 183, 182, 183,
&end
#
# 0 AMB 25-3:1451 0 AMB 25-1:1451 5.50 (# 1451:25 Double Ambig)
&rst
ixpk= 1451, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 549, 550, 549, 550,
igr2= 182, 183, 182, 183,
&end
#
# 34 GLU HG- 0 AMB 25-1:1452 5.50 (# 1452:25 Single Ambig)
&rst
ixpk= 1452, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 549, 550,
igr2= 182, 183, 182, 183,
&end
#
# 0 AMB 25-3:1453 0 AMB 25-1:1453 7.00 (# 1453:25 Double Ambig)
&rst
ixpk= 1453, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1= 546, 547, 546, 547,
igr2= 182, 183, 182, 183,
&end
#
# 34 GLU HA 0 AMB 25-1:1455 5.50 (# 1455:25 Single Ambig)
&rst
ixpk= 1455, nxpk= 25, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 182, 183, 182, 183,
&end
#
# 11 LYS HN 0 AMB 25-1:1456 5.50 (# 1456:25 Single Ambig)
&rst
ixpk= 1456, nxpk= 25, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 182, 183, 182, 183,
&end
#
# 14 THR HN 0 AMB 25-1:1457 5.50 (# 1457:25 Single Ambig)
&rst
ixpk= 1457, nxpk= 25, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 182, 183, 182, 183,
&end
#
# 13 ILE HN 12 THR HA 3.50 (# 1458:25 Preassigned 2.15, 2.16 A)
&rst
ixpk= 1458, nxpk= 25, iat= 205, 193, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 VAL HN 12 THR HA 4.50 (# 1459:25 Preassigned 4.69, 4.73 A)
&rst
ixpk= 1459, nxpk= 25, iat= 77, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LYS HN 12 THR HA 5.50 (# 1460:25 Preassigned 3.97, 4.02 A)
&rst
ixpk= 1460, nxpk= 25, iat= 93, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 THR HN 12 THR HA 4.50 (# 1461:25 Preassigned 3.32, 3.43 A)
&rst
ixpk= 1461, nxpk= 25, iat= 115, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 THR HN 12 THR HA 5.50 (# 1462:25 Preassigned 2.94, 2.95 A)
&rst
ixpk= 1462, nxpk= 25, iat= 191, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LYS HA 12 THR HA 3.50 (# 1463:25 Preassigned 1.86, 1.91 A)
&rst
ixpk= 1463, nxpk= 25, iat= 95, 193, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 VAL HA 12 THR HA 5.50 (# 1464:25 Preassigned 5.24, 5.27 A)
&rst
ixpk= 1464, nxpk= 25, iat= 79, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ILE HA 12 THR HA 4.50 (# 1465:25 Preassigned 4.40, 4.41 A)
&rst
ixpk= 1465, nxpk= 25, iat= 207, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 THR HB 12 THR HA 4.50 (# 1466:25 Preassigned 2.98, 3.01 A)
&rst
ixpk= 1466, nxpk= 25, iat= 195, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1467 12 THR HA 4.50 (# 1467:25 Single Ambig)
&rst
ixpk= 1467, nxpk= 25, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 209, 173, 174,
&end
#
# 0 AMB 25-3:1468 12 THR HA 4.50 (# 1468:25 Single Ambig)
&rst
ixpk= 1468, nxpk= 25, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 179, 180, 179, 180, 97, 98, 103, 104,
&end
#
# 6 LYS HG+ 12 THR HA 4.50 (# 1469:25 Unique 2.22, 3.29 A)
&rst
ixpk= 1469, nxpk= 25, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 100, 101,
&end
#
# 6 LYS HG- 12 THR HA 4.50 (# 1470:25 Unique 2.22, 3.29 A)
&rst
ixpk= 1470, nxpk= 25, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 100, 101,
&end
#
# 11 LYS HG- 12 THR HA 4.50 (# 1471:25 Unique 3.14, 4.12 A)
&rst
ixpk= 1471, nxpk= 25, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 176, 177,
&end
#
# 12 THR QG2 12 THR HA 3.50 (# 1472:25 Preassigned 2.22, 2.96 A)
&rst
ixpk= 1472, nxpk= 25, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 197, 198, 199,
&end
#
# 13 ILE QG2 12 THR HA 5.50 (# 1473:25 Preassigned 3.66, 4.50 A)
&rst
ixpk= 1473, nxpk= 25, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 211, 212, 213,
&end
#
# 0 AMB 25-3:1474 12 THR HA 4.50 (# 1474:25 Single Ambig)
&rst
ixpk= 1474, nxpk= 25, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87,
88, 89, 218, 219, 220,
&end
#
# 13 ILE HN 12 THR HB 4.50 (# 1475:25 Preassigned 4.19, 4.26 A)
&rst
ixpk= 1475, nxpk= 25, iat= 205, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 VAL HN 12 THR HB 7.00 (# 1476:25 Preassigned 6.04, 6.23 A)
&rst
ixpk= 1476, nxpk= 25, iat= 77, 195, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 6 LYS HA 12 THR HB 5.50 (# 1477:25 Preassigned 4.71, 4.79 A)
&rst
ixpk= 1477, nxpk= 25, iat= 95, 195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 THR HA 12 THR HB 4.50 (# 1478:25 Preassigned 2.98, 3.01 A)
&rst
ixpk= 1478, nxpk= 25, iat= 193, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1479 12 THR HB 4.50 (# 1479:25 Single Ambig)
&rst
ixpk= 1479, nxpk= 25, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 207, 171,
&end
#
# 0 AMB 25-3:1480 12 THR HB 5.50 (# 1480:25 Single Ambig)
&rst
ixpk= 1480, nxpk= 25, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 61, 62, 106, 107, 106, 107,
&end
#
# 0 AMB 25-3:1481 12 THR HB 5.50 (# 1481:25 Single Ambig)
&rst
ixpk= 1481, nxpk= 25, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 173, 174, 209,
&end
#
# 0 AMB 25-3:1482 12 THR HB 5.50 (# 1482:25 Single Ambig)
&rst
ixpk= 1482, nxpk= 25, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 103, 104, 103, 104, 179, 180, 179, 180,
&end
#
# 11 LYS HG+ 12 THR HB 5.50 (# 1483:25 Preassigned 4.65, 5.95 A)
&rst
ixpk= 1483, nxpk= 25, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 176, 177,
&end
#
# 6 LYS HN 12 THR QG2 5.50 (# 1484:25 Preassigned 3.89, 4.64 A)
&rst
ixpk= 1484, nxpk= 25, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 197, 198, 199,
&end
#
# 4 PHE HN 12 THR QG2 5.50 (# 1485:25 Preassigned 5.46, 5.83 A)
&rst
ixpk= 1485, nxpk= 25, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 197, 198, 199,
&end
#
# 14 THR HA 12 THR QG2 4.50 (# 1487:25 Preassigned 4.40, 5.39 A)
&rst
ixpk= 1487, nxpk= 25, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 197, 198, 199,
&end
#
# 13 ILE HN 13 ILE HA 4.50 (# 1489:25 Preassigned 2.94, 2.94 A)
&rst
ixpk= 1489, nxpk= 25, iat= 205, 207, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 VAL HN 13 ILE HA 5.50 (# 1490:25 Preassigned 4.78, 4.81 A)
&rst
ixpk= 1490, nxpk= 25, iat= 77, 207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LYS HA 13 ILE HA 7.00 (# 1491:25 Preassigned 5.74, 5.83 A)
&rst
ixpk= 1491, nxpk= 25, iat= 95, 207, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 THR HA 13 ILE HA 5.50 (# 1492:25 Preassigned 4.40, 4.41 A)
&rst
ixpk= 1492, nxpk= 25, iat= 193, 207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 THR HA 13 ILE HA 5.50 (# 1493:25 Preassigned 4.42, 4.43 A)
&rst
ixpk= 1493, nxpk= 25, iat= 226, 207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 THR HB 13 ILE HA 4.50 (# 1494:25 Preassigned 4.80, 4.80 A)
&rst
ixpk= 1494, nxpk= 25, iat= 228, 207, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 VAL HB 13 ILE HA 5.50 (# 1495:25 Preassigned 5.25, 5.33 A)
&rst
ixpk= 1495, nxpk= 25, iat= 81, 207, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ILE HB 13 ILE HA 4.50 (# 1496:25 Preassigned 2.31, 2.31 A)
&rst
ixpk= 1496, nxpk= 25, iat= 209, 207, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1497 13 ILE HA 5.50 (# 1497:25 Single Ambig)
&rst
ixpk= 1497, nxpk= 25, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 530, 531, 530, 531,
&end
#
# 0 AMB 25-3:1498 13 ILE HA 5.50 (# 1498:25 Single Ambig)
&rst
ixpk= 1498, nxpk= 25, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 179, 180, 179, 180,
&end
#
# 13 ILE HG1+ 13 ILE HA 4.50 (# 1499:25 Preassigned 2.66, 3.05 A)
&rst
ixpk= 1499, nxpk= 25, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 215, 216,
&end
#
# 5 VAL HN 13 ILE HB 5.50 (# 1500:25 Preassigned 5.46, 5.53 A)
&rst
ixpk= 1500, nxpk= 25, iat= 77, 209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 THR HN 13 ILE HB 4.50 (# 1501:25 Preassigned 4.22, 4.27 A)
&rst
ixpk= 1501, nxpk= 25, iat= 224, 209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1502 13 ILE HB 7.00 (# 1502:25 Single Ambig)
&rst
ixpk= 1502, nxpk= 25, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 191, 542, 238,
&end
#
# 4 PHE HA 13 ILE HB 7.00 (# 1503:25 Preassigned 6.59, 6.67 A)
&rst
ixpk= 1503, nxpk= 25, iat= 59, 209, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 6 LYS HA 13 ILE HB 7.00 (# 1504:25 Preassigned 5.66, 5.85 A)
&rst
ixpk= 1504, nxpk= 25, iat= 95, 209, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:1505 13 ILE HB 7.00 (# 1505:25 Single Ambig)
&rst
ixpk= 1505, nxpk= 25, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 79, 240,
&end
#
# 13 ILE HA 13 ILE HB 4.50 (# 1506:25 Preassigned 2.31, 2.31 A)
&rst
ixpk= 1506, nxpk= 25, iat= 207, 209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1507 13 ILE HB 4.50 (# 1507:25 Single Ambig)
&rst
ixpk= 1507, nxpk= 25, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 179, 180, 179, 180,
&end
#
# 0 AMB 25-3:1508 13 ILE HB 4.50 (# 1508:25 Single Ambig)
&rst
ixpk= 1508, nxpk= 25, iat= -1, 209, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 176, 177, 121, 122, 123,
&end
#
# 13 ILE HN 13 ILE HG1+ 4.50 (# 1509:25 Preassigned 4.27, 4.56 A)
&rst
ixpk= 1509, nxpk= 25, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 215, 216,
&end
#
# 5 VAL HN 13 ILE HG1+ 5.50 (# 1510:25 Preassigned 4.52, 5.23 A)
&rst
ixpk= 1510, nxpk= 25, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 215, 216,
&end
#
# 44 ILE HN 43 LEU HG 5.50 (# 1511:25 Preassigned 3.20, 3.39 A)
&rst
ixpk= 1511, nxpk= 25, iat= 700, 688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 THR HN 13 ILE HG1+ 4.50 (# 1512:25 Unique 2.99, 3.80 A)
&rst
ixpk= 1512, nxpk= 25, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 215, 216,
&end
#
# 43 LEU HA 43 LEU HG 4.50 (# 1513:25 Preassigned 2.68, 2.71 A)
&rst
ixpk= 1513, nxpk= 25, iat= 683, 688, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1514 0 AMB 25-1:1514 5.50 (# 1514:25 Double Ambig)
&rst
ixpk= 1514, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1063, 193,
igr2= 688, 215, 216,
&end
#
# 13 ILE HA 13 ILE HG1+ 3.50 (# 1515:25 Preassigned 2.66, 3.05 A)
&rst
ixpk= 1515, nxpk= 25, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 215, 216,
&end
#
# 0 AMB 25-3:1516 0 AMB 25-1:1516 5.50 (# 1516:25 Double Ambig)
&rst
ixpk= 1516, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 228, 797,
igr2= 215, 216, 688,
&end
#
# 30 ILE HA 13 ILE HG1+ 7.00 (# 1517:25 Preassigned 4.75, 5.20 A)
&rst
ixpk= 1517, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 215, 216,
&end
#
# 0 AMB 25-3:1518 0 AMB 25-1:1518 5.50 (# 1518:25 Double Ambig)
&rst
ixpk= 1518, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 182, 183, 182, 183,
igr2= 215, 216, 215, 216,
&end
#
# 50 LEU QD+ 43 LEU HG 5.50 (# 1519:25 Preassigned 3.09, 5.01 A)
&rst
ixpk= 1519, nxpk= 25, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 804, 805, 806, 808, 809, 810,
&end
#
# 0 AMB 25-3:1520 0 AMB 25-1:1520 2.80 (# 1520:25 Double Ambig)
&rst
ixpk= 1520, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1070,1071,1072,1074,1075,1076, 218, 219, 220, 83,
84, 85, 87, 88, 89, 83, 84, 85, 87, 88,
89,
igr2= 688, 215, 216,
&end
#
# 0 AMB 25-3:1521 43 LEU HG 3.50 (# 1521:25 Single Ambig)
&rst
ixpk= 1521, nxpk= 25, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
695, 696,
&end
#
# 15 LEU HB+ 13 ILE HG1+ 3.50 (# 1522:25 Unique 3.56, 4.75 A)
&rst
ixpk= 1522, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 242, 243,
igr2= 215, 216,
&end
#
# 13 ILE HB 13 ILE HG1+ 3.50 (# 1523:25 Preassigned 2.24, 2.52 A)
&rst
ixpk= 1523, nxpk= 25, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 215, 216,
&end
#
# 13 ILE QD1 13 ILE HG1- 2.80 (# 1524:25 Unique 2.37, 2.62 A)
&rst
ixpk= 1524, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 218, 219, 220,
igr2= 215, 216,
&end
#
# 0 AMB 25-3:1525 0 AMB 25-1:1525 3.50 (# 1525:25 Double Ambig)
&rst
ixpk= 1525, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1141,1142,1143,1145,1146,1147, 211, 212, 213,
igr2= 574, 575, 215, 216,
&end
#
# 15 LEU HB+ 13 ILE HG1- 4.50 (# 1526:25 Unique 3.56, 4.75 A)
&rst
ixpk= 1526, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 242, 243,
igr2= 215, 216,
&end
#
# 0 AMB 25-3:1527 13 ILE HG1- 3.50 (# 1527:25 Single Ambig)
&rst
ixpk= 1527, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 527, 528, 527, 528, 179, 180,
igr2= 215, 216,
&end
#
# 13 ILE HB 13 ILE HG1- 3.50 (# 1528:25 Preassigned 2.24, 2.52 A)
&rst
ixpk= 1528, nxpk= 25, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 215, 216,
&end
#
# 0 AMB 25-3:1529 0 AMB 25-1:1529 4.50 (# 1529:25 Double Ambig)
&rst
ixpk= 1529, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 549, 550, 549, 550, 587, 588,
igr2= 215, 216, 574, 575, 574, 575,
&end
#
# 5 VAL HB 13 ILE HG1- 4.50 (# 1530:25 Preassigned 4.45, 4.84 A)
&rst
ixpk= 1530, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 215, 216,
&end
#
# 34 GLU HG- 0 AMB 25-1:1531 4.50 (# 1531:25 Single Ambig)
&rst
ixpk= 1531, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 549, 550,
igr2= 215, 216, 574, 575,
&end
#
# 0 AMB 25-3:1532 13 ILE HG1- 4.50 (# 1532:25 Single Ambig)
&rst
ixpk= 1532, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 182, 183, 182, 183,
igr2= 215, 216,
&end
#
# 0 AMB 25-3:1533 13 ILE HG1- 5.50 (# 1533:25 Single Ambig)
&rst
ixpk= 1533, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 533, 534, 533, 534,
igr2= 215, 216,
&end
#
# 0 AMB 25-3:1534 0 AMB 25-1:1534 3.50 (# 1534:25 Double Ambig)
&rst
ixpk= 1534, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 566, 207,
igr2= 574, 575, 215, 216,
&end
#
# 12 THR HA 13 ILE HG1- 7.00 (# 1535:25 Preassigned 6.30, 6.60 A)
&rst
ixpk= 1535, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 215, 216,
&end
#
# 0 AMB 25-3:1536 0 AMB 25-1:1536 7.00 (# 1536:25 Double Ambig)
&rst
ixpk= 1536, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 238, 542,
igr2= 215, 216, 574, 575,
&end
#
# 14 THR HN 13 ILE HG1- 5.50 (# 1537:25 Preassigned 2.99, 3.80 A)
&rst
ixpk= 1537, nxpk= 25, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 215, 216,
&end
#
# 5 VAL HN 13 ILE HG1- 5.50 (# 1538:25 Preassigned 4.52, 5.23 A)
&rst
ixpk= 1538, nxpk= 25, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 215, 216,
&end
#
# 13 ILE HN 13 ILE HG1- 4.50 (# 1539:25 Preassigned 4.27, 4.56 A)
&rst
ixpk= 1539, nxpk= 25, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 215, 216,
&end
#
# 14 THR HB 13 ILE QG2 7.00 (# 1540:25 Unique 6.97, 7.63 A)
&rst
ixpk= 1540, nxpk= 25, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 211, 212, 213,
&end
#
# 14 THR HA 13 ILE QG2 5.50 (# 1541:25 Preassigned 4.83, 5.77 A)
&rst
ixpk= 1541, nxpk= 25, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 211, 212, 213,
&end
#
# 12 THR HA 13 ILE QG2 5.50 (# 1542:25 Preassigned 3.66, 4.50 A)
&rst
ixpk= 1542, nxpk= 25, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 211, 212, 213,
&end
#
# 7 THR HA 13 ILE QG2 7.00 (# 1543:25 Preassigned 5.18, 5.80 A)
&rst
ixpk= 1543, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 211, 212, 213,
&end
#
# 6 LYS HA 13 ILE QG2 5.50 (# 1544:25 Preassigned 3.64, 4.60 A)
&rst
ixpk= 1544, nxpk= 25, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 211, 212, 213,
&end
#
# 33 LYS HN 13 ILE QG2 5.50 (# 1545:25 Unique 6.01, 7.05 A)
&rst
ixpk= 1545, nxpk= 25, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 211, 212, 213,
&end
#
# 34 GLU HA 13 ILE QD1 5.50 (# 1546:25 Preassigned 5.47, 6.53 A)
&rst
ixpk= 1546, nxpk= 25, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 218, 219, 220,
&end
#
# 6 LYS HA 13 ILE QD1 7.00 (# 1547:25 Unique 6.41, 7.24 A)
&rst
ixpk= 1547, nxpk= 25, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 218, 219, 220,
&end
#
# 31 GLN HN 13 ILE QD1 5.50 (# 1548:25 Preassigned 6.28, 6.88 A)
&rst
ixpk= 1548, nxpk= 25, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 218, 219, 220,
&end
#
# 3 ILE QD1 14 THR HA 5.50 (# 1549:25 Preassigned 5.31, 6.20 A)
&rst
ixpk= 1549, nxpk= 25, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 51, 52, 53,
&end
#
# 0 AMB 25-3:1550 14 THR HA 5.50 (# 1550:25 Single Ambig)
&rst
ixpk= 1550, nxpk= 25, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87,
88, 89, 247, 248, 249, 251, 252, 253, 218, 219,
220,
&end
#
# 14 THR QG2 14 THR HA 3.50 (# 1551:25 Preassigned 2.33, 3.01 A)
&rst
ixpk= 1551, nxpk= 25, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 230, 231, 232,
&end
#
# 14 THR HB 14 THR HA 4.50 (# 1552:25 Preassigned 3.02, 3.02 A)
&rst
ixpk= 1552, nxpk= 25, iat= 228, 226, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PHE HA 14 THR HA 3.50 (# 1553:25 Preassigned 2.07, 2.12 A)
&rst
ixpk= 1553, nxpk= 25, iat= 59, 226, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 LEU HN 14 THR HA 3.50 (# 1554:25 Preassigned 2.15, 2.16 A)
&rst
ixpk= 1554, nxpk= 25, iat= 238, 226, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 VAL HN 14 THR HA 4.50 (# 1555:25 Preassigned 2.82, 2.89 A)
&rst
ixpk= 1555, nxpk= 25, iat= 77, 226, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ILE QD1 14 THR HB 5.50 (# 1556:25 Unique 6.46, 6.96 A)
&rst
ixpk= 1556, nxpk= 25, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 218, 219, 220,
&end
#
# 15 LEU HG 14 THR HB 7.00 (# 1557:25 Preassigned 6.60, 6.68 A)
&rst
ixpk= 1557, nxpk= 25, iat= 245, 228, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 2 GLN HG- 14 THR HB 5.50 (# 1558:25 Preassigned 4.14, 4.55 A)
&rst
ixpk= 1558, nxpk= 25, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 28, 29,
&end
#
# 2 GLN HG+ 14 THR HB 5.50 (# 1559:25 Preassigned 4.14, 4.55 A)
&rst
ixpk= 1559, nxpk= 25, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 28, 29,
&end
#
# 13 ILE HA 14 THR HB 4.50 (# 1560:25 Preassigned 4.80, 4.80 A)
&rst
ixpk= 1560, nxpk= 25, iat= 207, 228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 THR HA 14 THR HB 4.50 (# 1562:25 Preassigned 3.02, 3.02 A)
&rst
ixpk= 1562, nxpk= 25, iat= 226, 228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PHE HA 14 THR HB 5.50 (# 1563:25 Preassigned 4.49, 4.55 A)
&rst
ixpk= 1563, nxpk= 25, iat= 59, 228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 PHE HE2 14 THR HB 5.50 (# 1564:25 Unique 4.49, 4.60 A)
&rst
ixpk= 1564, nxpk= 25, iat= 71, 228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 LEU HN 14 THR HB 4.50 (# 1565:25 Preassigned 4.02, 4.07 A)
&rst
ixpk= 1565, nxpk= 25, iat= 238, 228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1566 14 THR QG2 5.50 (# 1566:25 Single Ambig)
&rst
ixpk= 1566, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.37, r4=10.87,
igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
252, 253, 218, 219, 220,
igr2= 230, 231, 232,
&end
#
# 13 ILE HG1+ 14 THR QG2 5.50 (# 1567:25 Preassigned 6.00, 7.25 A)
&rst
ixpk= 1567, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 215, 216,
igr2= 230, 231, 232,
&end
#
# 2 GLN HB+ 14 THR QG2 3.50 (# 1568:25 Preassigned 2.30, 3.76 A)
&rst
ixpk= 1568, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 25, 26,
igr2= 230, 231, 232,
&end
#
# 2 GLN HG- 14 THR QG2 3.50 (# 1569:25 Preassigned 2.12, 2.59 A)
&rst
ixpk= 1569, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 28, 29,
igr2= 230, 231, 232,
&end
#
# 56 LEU HB+ 55 THR QG2 5.50 (# 1570:25 Preassigned 5.51, 6.98 A)
&rst
ixpk= 1570, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 890, 891,
igr2= 878, 879, 880,
&end
#
# 2 GLN HG+ 14 THR QG2 3.50 (# 1571:25 Preassigned 2.12, 2.59 A)
&rst
ixpk= 1571, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 28, 29,
igr2= 230, 231, 232,
&end
#
# 4 PHE HB- 14 THR QG2 5.50 (# 1572:25 Preassigned 4.29, 5.59 A)
&rst
ixpk= 1572, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 61, 62,
igr2= 230, 231, 232,
&end
#
# 14 THR HB 14 THR QG2 2.80 (# 1573:25 Preassigned 2.38, 2.64 A)
&rst
ixpk= 1573, nxpk= 25, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 230, 231, 232,
&end
#
# 15 LEU HA 14 THR QG2 4.50 (# 1574:25 Preassigned 3.93, 4.92 A)
&rst
ixpk= 1574, nxpk= 25, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 230, 231, 232,
&end
#
# 14 THR HA 14 THR QG2 3.50 (# 1575:25 Preassigned 2.33, 3.01 A)
&rst
ixpk= 1575, nxpk= 25, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 230, 231, 232,
&end
#
# 2 GLN HA 14 THR QG2 4.50 (# 1576:25 Preassigned 4.32, 4.99 A)
&rst
ixpk= 1576, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 230, 231, 232,
&end
#
# 4 PHE HA 14 THR QG2 4.50 (# 1577:25 Preassigned 2.96, 3.97 A)
&rst
ixpk= 1577, nxpk= 25, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 230, 231, 232,
&end
#
# 2 GLN HE2- 14 THR QG2 4.50 (# 1578:25 Preassigned 4.73, 5.47 A)
&rst
ixpk= 1578, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 33, 34,
igr2= 230, 231, 232,
&end
#
# 4 PHE HD2 14 THR QG2 3.50 (# 1579:25 Preassigned 1.98, 2.64 A)
&rst
ixpk= 1579, nxpk= 25, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 230, 231, 232,
&end
#
# 4 PHE HE2 14 THR QG2 3.50 (# 1580:25 Preassigned 2.15, 3.05 A)
&rst
ixpk= 1580, nxpk= 25, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 230, 231, 232,
&end
#
# 65 SER HN 14 THR QG2 5.50 (# 1581:25 Unique 5.51, 6.35 A)
&rst
ixpk= 1581, nxpk= 25, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 230, 231, 232,
&end
#
# 15 LEU HN 14 THR QG2 3.50 (# 1582:25 Unique 2.91, 3.48 A)
&rst
ixpk= 1582, nxpk= 25, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 230, 231, 232,
&end
#
# 14 THR HN 14 THR QG2 4.50 (# 1583:25 Preassigned 4.44, 4.57 A)
&rst
ixpk= 1583, nxpk= 25, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 230, 231, 232,
&end
#
# 64 GLU HB- 14 THR QG2 5.50 (# 1584:25 Unique 6.70, 7.71 A)
&rst
ixpk= 1584, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1025,1026,
igr2= 230, 231, 232,
&end
#
# 0 AMB 25-3:1586 55 THR QG2 5.50 (# 1586:25 Single Ambig)
&rst
ixpk= 1586, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 321, 322, 909, 910,
igr2= 878, 879, 880,
&end
#
# 16 GLU HN 14 THR QG2 5.50 (# 1587:25 Unique 4.67, 5.76 A)
&rst
ixpk= 1587, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 230, 231, 232,
&end
#
# 5 VAL HN 14 THR QG2 5.50 (# 1588:25 Preassigned 4.63, 5.59 A)
&rst
ixpk= 1588, nxpk= 25, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 230, 231, 232,
&end
#
# 15 LEU HN 15 LEU HB- 4.50 (# 1589:25 Preassigned 2.83, 3.36 A)
&rst
ixpk= 1589, nxpk= 25, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 242, 243,
&end
#
# 3 ILE HN 15 LEU HB- 5.50 (# 1590:25 Preassigned 4.88, 5.09 A)
&rst
ixpk= 1590, nxpk= 25, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 242, 243,
&end
#
# 16 GLU HN 15 LEU HB- 4.50 (# 1591:25 Preassigned 3.12, 3.73 A)
&rst
ixpk= 1591, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 242, 243,
&end
#
# 2 GLN HA 15 LEU HB- 5.50 (# 1592:25 Preassigned 5.83, 6.14 A)
&rst
ixpk= 1592, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 242, 243,
&end
#
# 14 THR HA 15 LEU HB- 5.50 (# 1593:25 Preassigned 4.24, 4.94 A)
&rst
ixpk= 1593, nxpk= 25, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 242, 243,
&end
#
# 15 LEU HA 15 LEU HB- 4.50 (# 1594:25 Preassigned 2.30, 2.44 A)
&rst
ixpk= 1594, nxpk= 25, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 242, 243,
&end
#
# 29 LYS HB+ 15 LEU HB- 7.00 (# 1595:25 Preassigned 3.35, 4.08 A)
&rst
ixpk= 1595, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 454, 455,
igr2= 242, 243,
&end
#
# 0 AMB 25-3:1596 15 LEU HB- 5.50 (# 1596:25 Single Ambig)
&rst
ixpk= 1596, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 454, 455, 81,
igr2= 242, 243,
&end
#
# 0 AMB 25-3:1597 15 LEU HB- 5.50 (# 1597:25 Single Ambig)
&rst
ixpk= 1597, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 460, 461, 457, 458, 261, 262,
igr2= 242, 243,
&end
#
# 0 AMB 25-3:1598 15 LEU HB- 5.50 (# 1598:25 Single Ambig)
&rst
ixpk= 1598, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 527, 528, 527, 528, 457, 458,
igr2= 242, 243,
&end
#
# 3 ILE HG1+ 15 LEU HB- 4.50 (# 1599:25 Preassigned 4.39, 5.35 A)
&rst
ixpk= 1599, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 48, 49,
igr2= 242, 243,
&end
#
# 0 AMB 25-3:1600 15 LEU HB- 3.50 (# 1600:25 Single Ambig)
&rst
ixpk= 1600, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
252, 253, 218, 219, 220,
igr2= 242, 243,
&end
#
# 3 ILE QD1 15 LEU HB- 4.50 (# 1601:25 Unique 4.63, 5.52 A)
&rst
ixpk= 1601, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 51, 52, 53,
igr2= 242, 243,
&end
#
# 17 VAL QG+ 15 LEU HB- 5.50 (# 1602:25 Preassigned 4.08, 5.56 A)
&rst
ixpk= 1602, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 242, 243,
&end
#
# 17 VAL HN 15 LEU HB+ 7.00 (# 1603:25 Preassigned 5.71, 6.32 A)
&rst
ixpk= 1603, nxpk= 25, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 242, 243,
&end
#
# 15 LEU HN 15 LEU HB+ 4.50 (# 1604:25 Preassigned 2.83, 3.36 A)
&rst
ixpk= 1604, nxpk= 25, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 242, 243,
&end
#
# 3 ILE HN 15 LEU HB+ 5.50 (# 1605:25 Preassigned 4.88, 5.09 A)
&rst
ixpk= 1605, nxpk= 25, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 242, 243,
&end
#
# 16 GLU HN 15 LEU HB+ 4.50 (# 1606:25 Preassigned 3.12, 3.73 A)
&rst
ixpk= 1606, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 242, 243,
&end
#
# 0 AMB 25-3:1607 0 AMB 25-1:1607 5.50 (# 1607:25 Double Ambig)
&rst
ixpk= 1607, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 226, 259,
igr2= 242, 243, 242, 243,
&end
#
# 15 LEU HA 15 LEU HB+ 3.50 (# 1608:25 Preassigned 2.30, 2.44 A)
&rst
ixpk= 1608, nxpk= 25, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 242, 243,
&end
#
# 29 LYS HB+ 15 LEU HB+ 5.50 (# 1609:25 Preassigned 3.35, 4.08 A)
&rst
ixpk= 1609, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 454, 455,
igr2= 242, 243,
&end
#
# 0 AMB 25-3:1610 0 AMB 25-1:1610 4.50 (# 1610:25 Double Ambig)
&rst
ixpk= 1610, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 454, 455, 81,
igr2= 242, 243, 242, 243,
&end
#
# 0 AMB 25-3:1611 0 AMB 25-1:1611 4.50 (# 1611:25 Double Ambig)
&rst
ixpk= 1611, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 460, 461, 457, 458, 261, 262,
igr2= 242, 243, 242, 243, 242, 243,
&end
#
# 0 AMB 25-3:1612 0 AMB 25-1:1612 5.50 (# 1612:25 Double Ambig)
&rst
ixpk= 1612, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 527, 528, 527, 528, 457, 458,
igr2= 242, 243, 242, 243, 242, 243,
&end
#
# 3 ILE HG1+ 15 LEU HB+ 4.50 (# 1613:25 Preassigned 4.39, 5.35 A)
&rst
ixpk= 1613, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 48, 49,
igr2= 242, 243,
&end
#
# 3 ILE QD1 15 LEU HB+ 4.50 (# 1614:25 Unique 4.63, 5.52 A)
&rst
ixpk= 1614, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 51, 52, 53,
igr2= 242, 243,
&end
#
# 17 VAL QG+ 15 LEU HB+ 5.50 (# 1615:25 Preassigned 4.08, 5.56 A)
&rst
ixpk= 1615, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 242, 243,
&end
#
# 0 AMB 25-3:1616 0 AMB 25-1:1616 2.80 (# 1616:25 Double Ambig)
&rst
ixpk= 1616, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
252, 253, 218, 219, 220,
igr2= 242, 243, 242, 243, 242, 243,
&end
#
# 69 LEU HA 43 LEU HG 5.50 (# 1617:25 Preassigned 4.14, 4.29 A)
&rst
ixpk= 1617, nxpk= 25, iat=1099, 688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 LYS HE- 43 LEU HG 5.50 (# 1618:25 Preassigned 3.96, 4.51 A)
&rst
ixpk= 1618, nxpk= 25, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 431, 432,
&end
#
# 0 AMB 25-3:1619 56 LEU QD- 2.80 (# 1619:25 Single Ambig)
&rst
ixpk= 1619, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 976, 977, 978, 969, 970, 971, 278, 279, 280, 282,
283, 284,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 26 VAL QG+ 56 LEU QD- 3.50 (# 1620:25 Preassigned 1.98, 4.58 A)
&rst
ixpk= 1620, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 408, 409, 410, 412, 413, 414,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 56 LEU HB- 56 LEU QD- 3.50 (# 1621:25 Preassigned 2.23, 3.32 A)
&rst
ixpk= 1621, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 890, 891,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 56 LEU HG 56 LEU QD- 3.50 (# 1622:25 Preassigned 2.21, 2.63 A)
&rst
ixpk= 1622, nxpk= 25, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 56 LEU HB+ 56 LEU QD- 3.50 (# 1623:25 Preassigned 2.23, 3.32 A)
&rst
ixpk= 1623, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 890, 891,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 25-3:1624 56 LEU QD- 3.50 (# 1624:25 Single Ambig)
&rst
ixpk= 1624, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 276, 406,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 21 ASP HB+ 56 LEU QD- 4.50 (# 1625:25 Preassigned 3.12, 5.36 A)
&rst
ixpk= 1625, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 332, 333,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 21 ASP HB- 56 LEU QD- 4.50 (# 1626:25 Preassigned 3.12, 5.36 A)
&rst
ixpk= 1626, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 332, 333,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 25-3:1627 56 LEU QD- 4.50 (# 1627:25 Single Ambig)
&rst
ixpk= 1627, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 888, 313,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 55 THR HB 56 LEU QD- 4.50 (# 1628:25 Preassigned 5.25, 6.37 A)
&rst
ixpk= 1628, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 25-3:1629 56 LEU QD- 4.50 (# 1629:25 Single Ambig)
&rst
ixpk= 1629, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 274, 330,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 55 THR HA 56 LEU QD- 4.50 (# 1630:25 Preassigned 4.03, 5.94 A)
&rst
ixpk= 1630, nxpk= 25, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 21 ASP HN 56 LEU QD- 4.50 (# 1631:25 Preassigned 3.98, 5.41 A)
&rst
ixpk= 1631, nxpk= 25, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 56 LEU HN 56 LEU QD- 3.50 (# 1632:25 Preassigned 2.83, 4.14 A)
&rst
ixpk= 1632, nxpk= 25, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 57 SER HN 56 LEU QD- 4.50 (# 1633:25 Preassigned 4.73, 5.48 A)
&rst
ixpk= 1633, nxpk= 25, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 18 GLU HN 56 LEU QD- 4.50 (# 1634:25 Preassigned 3.39, 5.63 A)
&rst
ixpk= 1634, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 17 VAL HN 56 LEU QD- 5.50 (# 1635:25 Preassigned 5.31, 7.02 A)
&rst
ixpk= 1635, nxpk= 25, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 25-3:1636 56 LEU QD- 5.50 (# 1636:25 Single Ambig)
&rst
ixpk= 1636, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 404, 965,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 25-3:1637 0 AMB 25-1:1637 2.80 (# 1637:25 Double Ambig)
&rst
ixpk= 1637, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 763, 764, 763, 764, 763, 764,
igr2= 766, 767, 766, 767, 766, 767,
&end
#
# 0 AMB 25-3:1638 0 AMB 25-1:1638 3.50 (# 1638:25 Double Ambig)
&rst
ixpk= 1638, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 769, 770, 769, 770, 769, 770,
igr2= 766, 767, 766, 767, 766, 767,
&end
#
# 48 LYS HA 0 AMB 25-1:1639 4.50 (# 1639:25 Single Ambig)
&rst
ixpk= 1639, nxpk= 25, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 766, 767, 766, 767,
&end
#
# 59 TYR HE2 0 AMB 25-1:1640 4.50 (# 1640:25 Single Ambig)
&rst
ixpk= 1640, nxpk= 25, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 766, 767, 766, 767,
&end
#
# 59 TYR HD2 0 AMB 25-1:1641 4.50 (# 1641:25 Single Ambig)
&rst
ixpk= 1641, nxpk= 25, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 766, 767, 766, 767,
&end
#
# 50 LEU QD- 0 AMB 25-1:1642 5.50 (# 1642:25 Single Ambig)
&rst
ixpk= 1642, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 766, 767, 766, 767,
&end
#
# 46 ALA QB 0 AMB 25-1:1643 5.50 (# 1643:25 Single Ambig)
&rst
ixpk= 1643, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 743, 744, 745,
igr2= 766, 767, 766, 767,
&end
#
# 48 LYS HN 0 AMB 25-1:1644 4.50 (# 1644:25 Single Ambig)
&rst
ixpk= 1644, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 766, 767, 766, 767,
&end
#
# 49 GLN HN 0 AMB 25-1:1645 5.50 (# 1645:25 Single Ambig)
&rst
ixpk= 1645, nxpk= 25, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 766, 767, 766, 767,
&end
#
# 45 PHE HD2 0 AMB 25-1:1646 7.00 (# 1646:25 Single Ambig)
&rst
ixpk= 1646, nxpk= 25, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 766, 767, 766, 767,
&end
#
# 50 LEU HA 0 AMB 25-1:1647 7.00 (# 1647:25 Single Ambig)
&rst
ixpk= 1647, nxpk= 25, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 766, 767, 766, 767,
&end
#
# 0 AMB 25-3:1648 0 AMB 25-1:1648 7.00 (# 1648:25 Double Ambig)
&rst
ixpk= 1648, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.34, r4=13.84,
igr1= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
809, 810,
igr2= 766, 767, 766, 767,
&end
#
# 17 VAL QG+ 16 GLU HG- 5.50 (# 1649:25 Preassigned 5.70, 7.27 A)
&rst
ixpk= 1649, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 264, 265,
&end
#
# 17 VAL QG- 16 GLU HG- 5.50 (# 1651:25 Preassigned 5.70, 7.27 A)
&rst
ixpk= 1651, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 264, 265,
&end
#
# 15 LEU HB+ 16 GLU HG- 5.50 (# 1652:25 Preassigned 6.36, 7.11 A)
&rst
ixpk= 1652, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 242, 243,
igr2= 264, 265,
&end
#
# 15 LEU HA 16 GLU HG- 4.50 (# 1653:25 Preassigned 4.77, 5.27 A)
&rst
ixpk= 1653, nxpk= 25, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 264, 265,
&end
#
# 2 GLN HA 16 GLU HG- 5.50 (# 1654:25 Preassigned 3.35, 3.83 A)
&rst
ixpk= 1654, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 264, 265,
&end
#
# 16 GLU HN 16 GLU HG- 4.50 (# 1655:25 Preassigned 3.29, 3.70 A)
&rst
ixpk= 1655, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 264, 265,
&end
#
# 0 AMB 25-3:1656 16 GLU HG- 4.50 (# 1656:25 Single Ambig)
&rst
ixpk= 1656, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 272, 21,
igr2= 264, 265,
&end
#
# 17 VAL QG+ 16 GLU HG+ 5.50 (# 1657:25 Preassigned 5.70, 7.27 A)
&rst
ixpk= 1657, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 264, 265,
&end
#
# 17 VAL QG- 16 GLU HG+ 5.50 (# 1658:25 Preassigned 5.70, 7.27 A)
&rst
ixpk= 1658, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 264, 265,
&end
#
# 14 THR QG2 16 GLU HG+ 5.50 (# 1659:25 Unique 4.59, 5.85 A)
&rst
ixpk= 1659, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 230, 231, 232,
igr2= 264, 265,
&end
#
# 2 GLN HB+ 16 GLU HG+ 4.50 (# 1660:25 Preassigned 2.21, 2.86 A)
&rst
ixpk= 1660, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 25, 26,
igr2= 264, 265,
&end
#
# 15 LEU HA 16 GLU HG+ 4.50 (# 1661:25 Preassigned 4.77, 5.27 A)
&rst
ixpk= 1661, nxpk= 25, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 264, 265,
&end
#
# 2 GLN HA 16 GLU HG+ 5.50 (# 1662:25 Preassigned 3.35, 3.83 A)
&rst
ixpk= 1662, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 264, 265,
&end
#
# 16 GLU HN 16 GLU HG+ 4.50 (# 1663:25 Preassigned 3.29, 3.70 A)
&rst
ixpk= 1663, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 264, 265,
&end
#
# 0 AMB 25-3:1665 0 AMB 25-1:1665 4.50 (# 1665:25 Double Ambig)
&rst
ixpk= 1665, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 272, 21,
igr2= 264, 265, 264, 265,
&end
#
# 0 AMB 25-3:1666 0 AMB 25-1:1666 4.50 (# 1666:25 Double Ambig)
&rst
ixpk= 1666, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 769, 770, 769, 770, 463, 464,
igr2= 930, 274,
&end
#
# 16 GLU HA 17 VAL HA 4.50 (# 1667:25 Preassigned 4.39, 4.39 A)
&rst
ixpk= 1667, nxpk= 25, iat= 259, 274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 VAL HN 17 VAL HA 4.50 (# 1668:25 Preassigned 2.90, 2.91 A)
&rst
ixpk= 1668, nxpk= 25, iat= 272, 274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1669 17 VAL HA 5.50 (# 1669:25 Single Ambig)
&rst
ixpk= 1669, nxpk= 25, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 460, 461, 457, 458,
&end
#
# 0 AMB 25-3:1670 17 VAL HA 5.50 (# 1670:25 Single Ambig)
&rst
ixpk= 1670, nxpk= 25, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 292, 293, 457, 458,
&end
#
# 54 ARG HG- 51 GLU HG- 3.50 (# 1671:25 Unique 1.80, 2.86 A)
&rst
ixpk= 1671, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 855, 856,
igr2= 821, 822,
&end
#
# 54 ARG HG+ 51 GLU HG- 4.50 (# 1672:25 Preassigned 1.80, 2.86 A)
&rst
ixpk= 1672, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 855, 856,
igr2= 821, 822,
&end
#
# 27 LYS HE- 30 ILE HB 7.00 (# 1673:25 Preassigned 6.06, 6.34 A)
&rst
ixpk= 1673, nxpk= 25, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 431, 432,
&end
#
# 30 ILE HA 30 ILE HB 4.50 (# 1674:25 Preassigned 3.01, 3.01 A)
&rst
ixpk= 1674, nxpk= 25, iat= 474, 476, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 GLY HA- 51 GLU HG- 4.50 (# 1675:25 Unique 2.52, 3.83 A)
&rst
ixpk= 1675, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 843, 844,
igr2= 821, 822,
&end
#
# 0 AMB 25-3:1676 0 AMB 25-1:1676 7.00 (# 1676:25 Double Ambig)
&rst
ixpk= 1676, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 938, 397, 398,
igr2= 821, 822, 276,
&end
#
# 52 ASP HN 51 GLU HG- 4.50 (# 1677:25 Preassigned 3.67, 4.08 A)
&rst
ixpk= 1677, nxpk= 25, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 821, 822,
&end
#
# 51 GLU HN 51 GLU HG- 4.50 (# 1678:25 Preassigned 2.54, 3.26 A)
&rst
ixpk= 1678, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 821, 822,
&end
#
# 17 VAL HN 17 VAL HB 5.50 (# 1679:25 Preassigned 3.62, 3.70 A)
&rst
ixpk= 1679, nxpk= 25, iat= 272, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 1 MET HG+ 17 VAL QG- 5.50 (# 1680:25 Preassigned 3.53, 6.10 A)
&rst
ixpk= 1680, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 11, 12,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 3 ILE HA 17 VAL QG- 5.50 (# 1681:25 Preassigned 5.29, 7.28 A)
&rst
ixpk= 1681, nxpk= 25, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 19 PRO HD+ 17 VAL QG- 7.00 (# 1682:25 Preassigned 5.82, 7.79 A)
&rst
ixpk= 1682, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 304, 305,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 18 GLU HA 17 VAL QG- 5.50 (# 1683:25 Preassigned 4.75, 5.96 A)
&rst
ixpk= 1683, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 2 GLN HA 17 VAL QG- 5.50 (# 1684:25 Preassigned 3.20, 4.96 A)
&rst
ixpk= 1684, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 29 LYS HN 17 VAL QG- 5.50 (# 1685:25 Unique 5.68, 7.32 A)
&rst
ixpk= 1685, nxpk= 25, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 3 ILE HN 17 VAL QG- 4.50 (# 1686:25 Preassigned 3.57, 5.31 A)
&rst
ixpk= 1686, nxpk= 25, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 16 GLU HN 17 VAL QG+ 5.50 (# 1688:25 Preassigned 4.33, 5.60 A)
&rst
ixpk= 1688, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 19 PRO HD+ 17 VAL QG+ 5.50 (# 1689:25 Unique 5.82, 7.79 A)
&rst
ixpk= 1689, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 304, 305,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 19 PRO HD- 17 VAL QG+ 5.50 (# 1690:25 Preassigned 5.82, 7.79 A)
&rst
ixpk= 1690, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 304, 305,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 26 VAL HA 17 VAL QG+ 5.50 (# 1691:25 Preassigned 3.08, 4.83 A)
&rst
ixpk= 1691, nxpk= 25, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 29 LYS HE+ 17 VAL QG+ 5.50 (# 1692:25 Preassigned 2.72, 5.08 A)
&rst
ixpk= 1692, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 463, 464,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 29 LYS HE- 17 VAL QG+ 5.50 (# 1693:25 Preassigned 2.72, 5.08 A)
&rst
ixpk= 1693, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 463, 464,
igr2= 278, 279, 280, 282, 283, 284,
&end
#
# 17 VAL QG+ 18 GLU HA 5.50 (# 1694:25 Preassigned 4.75, 5.96 A)
&rst
ixpk= 1694, nxpk= 25, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 0 AMB 25-3:1695 18 GLU HA 5.50 (# 1695:25 Single Ambig)
&rst
ixpk= 1695, nxpk= 25, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 895, 896, 897, 899, 900, 901, 278, 279, 280, 282,
283, 284,
&end
#
# 18 GLU HB- 18 GLU HA 3.50 (# 1696:25 Preassigned 2.24, 2.55 A)
&rst
ixpk= 1696, nxpk= 25, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 292, 293,
&end
#
# 56 LEU HG 18 GLU HA 7.00 (# 1697:25 Preassigned 6.17, 6.24 A)
&rst
ixpk= 1697, nxpk= 25, iat= 893, 290, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 18 GLU HG+ 18 GLU HA 3.50 (# 1698:25 Unique 2.47, 3.64 A)
&rst
ixpk= 1698, nxpk= 25, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 295, 296,
&end
#
# 18 GLU HG- 18 GLU HA 3.50 (# 1699:25 Unique 2.47, 3.64 A)
&rst
ixpk= 1699, nxpk= 25, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 295, 296,
&end
#
# 1 MET HG+ 18 GLU HA 5.50 (# 1700:25 Preassigned 2.32, 3.80 A)
&rst
ixpk= 1700, nxpk= 25, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 11, 12,
&end
#
# 21 ASP HB- 18 GLU HA 5.50 (# 1701:25 Unique 4.52, 5.57 A)
&rst
ixpk= 1701, nxpk= 25, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 332, 333,
&end
#
# 19 PRO HD- 18 GLU HA 3.50 (# 1702:25 Preassigned 2.26, 2.30 A)
&rst
ixpk= 1702, nxpk= 25, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 304, 305,
&end
#
# 19 PRO HA 18 GLU HA 5.50 (# 1703:25 Preassigned 4.39, 4.39 A)
&rst
ixpk= 1703, nxpk= 25, iat= 313, 290, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PRO HD+ 18 GLU HA 3.50 (# 1704:25 Preassigned 2.26, 2.30 A)
&rst
ixpk= 1704, nxpk= 25, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 304, 305,
&end
#
# 17 VAL HA 18 GLU HA 5.50 (# 1705:25 Preassigned 4.44, 4.45 A)
&rst
ixpk= 1705, nxpk= 25, iat= 274, 290, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 SER HN 18 GLU HA 5.50 (# 1706:25 Preassigned 3.79, 3.84 A)
&rst
ixpk= 1706, nxpk= 25, iat= 317, 290, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ASP HN 18 GLU HA 5.50 (# 1707:25 Preassigned 4.64, 4.72 A)
&rst
ixpk= 1707, nxpk= 25, iat= 328, 290, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 GLU HN 18 GLU HA 4.50 (# 1708:25 Preassigned 2.95, 2.95 A)
&rst
ixpk= 1708, nxpk= 25, iat= 288, 290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 SER HN 19 PRO HA 5.50 (# 1709:25 Preassigned 3.24, 3.32 A)
&rst
ixpk= 1709, nxpk= 25, iat= 905, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 LEU HN 19 PRO HA 5.50 (# 1710:25 Preassigned 4.32, 4.40 A)
&rst
ixpk= 1710, nxpk= 25, iat= 886, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ASP HN 19 PRO HA 5.50 (# 1711:25 Preassigned 3.74, 3.75 A)
&rst
ixpk= 1711, nxpk= 25, iat= 328, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 SER HN 19 PRO HA 4.50 (# 1712:25 Preassigned 3.36, 3.39 A)
&rst
ixpk= 1712, nxpk= 25, iat= 317, 313, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 GLU HA 19 PRO HA 5.50 (# 1713:25 Preassigned 4.39, 4.39 A)
&rst
ixpk= 1713, nxpk= 25, iat= 290, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 THR HB 19 PRO HA 5.50 (# 1714:25 Preassigned 5.15, 5.27 A)
&rst
ixpk= 1714, nxpk= 25, iat= 876, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 SER HA 19 PRO HA 5.50 (# 1715:25 Preassigned 4.57, 4.59 A)
&rst
ixpk= 1715, nxpk= 25, iat= 319, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1716 19 PRO HA 4.50 (# 1716:25 Single Ambig)
&rst
ixpk= 1716, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 304, 305, 909, 910,
&end
#
# 19 PRO HG+ 19 PRO HA 4.50 (# 1717:25 Preassigned 3.85, 3.94 A)
&rst
ixpk= 1717, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 307, 308,
&end
#
# 56 LEU HG 19 PRO HA 5.50 (# 1718:25 Preassigned 3.71, 3.80 A)
&rst
ixpk= 1718, nxpk= 25, iat= 893, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 LEU HB- 19 PRO HA 4.50 (# 1719:25 Preassigned 1.95, 2.44 A)
&rst
ixpk= 1719, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 890, 891,
&end
#
# 56 LEU QD- 19 PRO HA 4.50 (# 1720:25 Preassigned 2.49, 4.47 A)
&rst
ixpk= 1720, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 895, 896, 897, 899, 900, 901,
&end
#
# 56 LEU QD+ 19 PRO HA 5.50 (# 1721:25 Preassigned 2.49, 4.47 A)
&rst
ixpk= 1721, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 25-3:1722 19 PRO HA 5.50 (# 1722:25 Single Ambig)
&rst
ixpk= 1722, nxpk= 25, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 969, 970, 971, 278, 279, 280, 282, 283, 284,
&end
#
# 56 LEU QD- 19 PRO HB+ 5.50 (# 1723:25 Preassigned 4.20, 6.67 A)
&rst
ixpk= 1723, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 895, 896, 897, 899, 900, 901,
igr2= 310, 311,
&end
#
# 56 LEU HB- 19 PRO HB+ 5.50 (# 1724:25 Preassigned 4.02, 4.40 A)
&rst
ixpk= 1724, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 890, 891,
igr2= 310, 311,
&end
#
# 1 MET QE 19 PRO HB+ 4.50 (# 1725:25 Unique 2.21, 4.02 A)
&rst
ixpk= 1725, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 15, 16, 17,
igr2= 310, 311,
&end
#
# 19 PRO HD+ 19 PRO HB+ 4.50 (# 1726:25 Preassigned 2.98, 3.70 A)
&rst
ixpk= 1726, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 304, 305,
igr2= 310, 311,
&end
#
# 18 GLU HA 19 PRO HB+ 5.50 (# 1727:25 Unique 4.83, 5.20 A)
&rst
ixpk= 1727, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 310, 311,
&end
#
# 20 SER HN 19 PRO HB+ 4.50 (# 1728:25 Preassigned 3.72, 4.10 A)
&rst
ixpk= 1728, nxpk= 25, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 310, 311,
&end
#
# 57 SER HN 19 PRO HB+ 5.50 (# 1729:25 Preassigned 3.71, 4.18 A)
&rst
ixpk= 1729, nxpk= 25, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 310, 311,
&end
#
# 57 SER HN 19 PRO HB- 3.50 (# 1730:25 Preassigned 3.71, 4.18 A)
&rst
ixpk= 1730, nxpk= 25, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 310, 311,
&end
#
# 0 AMB 25-3:1731 19 PRO HB- 5.50 (# 1731:25 Single Ambig)
&rst
ixpk= 1731, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 886, 949,
igr2= 310, 311,
&end
#
# 20 SER HN 19 PRO HB- 4.50 (# 1732:25 Preassigned 3.72, 4.10 A)
&rst
ixpk= 1732, nxpk= 25, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 310, 311,
&end
#
# 18 GLU HA 19 PRO HB- 5.50 (# 1733:25 Preassigned 4.83, 5.20 A)
&rst
ixpk= 1733, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 310, 311,
&end
#
# 19 PRO HA 19 PRO HB- 3.50 (# 1734:25 Preassigned 2.30, 2.51 A)
&rst
ixpk= 1734, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 310, 311,
&end
#
# 19 PRO HD- 19 PRO HB- 3.50 (# 1735:25 Preassigned 2.98, 3.70 A)
&rst
ixpk= 1735, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 304, 305,
igr2= 310, 311,
&end
#
# 37 PRO HA 38 PRO HG+ 4.50 (# 1737:25 Unique 4.44, 4.48 A)
&rst
ixpk= 1737, nxpk= 25, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 601, 602,
&end
#
# 41 GLN HE2+ 38 PRO HG+ 5.50 (# 1738:25 Preassigned 5.46, 6.17 A)
&rst
ixpk= 1738, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 652, 653,
igr2= 601, 602,
&end
#
# 39 ASP HN 38 PRO HG+ 4.50 (# 1739:25 Unique 2.22, 3.02 A)
&rst
ixpk= 1739, nxpk= 25, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 601, 602,
&end
#
# 0 AMB 25-3:1740 0 AMB 25-1:1740 3.50 (# 1740:25 Double Ambig)
&rst
ixpk= 1740, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 598, 599, 598, 599, 304, 305,
igr2= 601, 602, 601, 602, 307, 308,
&end
#
# 1 MET QE 19 PRO HG- 4.50 (# 1741:25 Preassigned 4.00, 5.14 A)
&rst
ixpk= 1741, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 15, 16, 17,
igr2= 307, 308,
&end
#
# 19 PRO HD- 19 PRO HG- 3.50 (# 1742:25 Preassigned 2.30, 2.58 A)
&rst
ixpk= 1742, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 304, 305,
igr2= 307, 308,
&end
#
# 19 PRO HD+ 19 PRO HG- 3.50 (# 1743:25 Preassigned 2.30, 2.58 A)
&rst
ixpk= 1743, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 304, 305,
igr2= 307, 308,
&end
#
# 19 PRO HA 19 PRO HG- 4.50 (# 1744:25 Preassigned 3.85, 3.94 A)
&rst
ixpk= 1744, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 307, 308,
&end
#
# 18 GLU HA 19 PRO HG- 4.50 (# 1745:25 Preassigned 4.40, 4.44 A)
&rst
ixpk= 1745, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 307, 308,
&end
#
# 20 SER HN 19 PRO HG- 5.50 (# 1746:25 Preassigned 2.92, 3.71 A)
&rst
ixpk= 1746, nxpk= 25, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 307, 308,
&end
#
# 0 AMB 25-3:1747 0 AMB 25-1:1747 2.80 (# 1747:25 Double Ambig)
&rst
ixpk= 1747, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 310, 311, 590, 591,
igr2= 307, 308, 587, 588,
&end
#
# 18 GLU HN 19 PRO HD+ 5.50 (# 1748:25 Preassigned 4.82, 4.89 A)
&rst
ixpk= 1748, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 304, 305,
&end
#
# 21 ASP HN 19 PRO HD+ 7.00 (# 1749:25 Preassigned 4.63, 5.06 A)
&rst
ixpk= 1749, nxpk= 25, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 304, 305,
&end
#
# 20 SER HN 19 PRO HD+ 4.50 (# 1750:25 Preassigned 2.78, 3.39 A)
&rst
ixpk= 1750, nxpk= 25, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 304, 305,
&end
#
# 19 PRO HA 19 PRO HD+ 4.50 (# 1751:25 Unique 3.60, 3.85 A)
&rst
ixpk= 1751, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 304, 305,
&end
#
# 1 MET HG+ 19 PRO HD+ 5.50 (# 1752:25 Preassigned 2.28, 4.43 A)
&rst
ixpk= 1752, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 11, 12,
igr2= 304, 305,
&end
#
# 19 PRO HB+ 19 PRO HD+ 4.50 (# 1753:25 Preassigned 2.98, 3.70 A)
&rst
ixpk= 1753, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 310, 311,
igr2= 304, 305,
&end
#
# 18 GLU HG- 19 PRO HD+ 4.50 (# 1754:25 Unique 2.00, 4.97 A)
&rst
ixpk= 1754, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 295, 296,
igr2= 304, 305,
&end
#
# 63 LYS HB+ 19 PRO HD+ 5.50 (# 1755:25 Preassigned 4.74, 6.79 A)
&rst
ixpk= 1755, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1003,1004,
igr2= 304, 305,
&end
#
# 0 AMB 25-3:1756 0 AMB 25-1:1756 4.50 (# 1756:25 Double Ambig)
&rst
ixpk= 1756, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 292, 293, 15, 16, 17,
igr2= 304, 305, 304, 305,
&end
#
# 17 VAL QG+ 19 PRO HD+ 7.00 (# 1757:25 Preassigned 5.82, 7.79 A)
&rst
ixpk= 1757, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 304, 305,
&end
#
# 17 VAL QG+ 19 PRO HD- 5.50 (# 1758:25 Preassigned 5.82, 7.79 A)
&rst
ixpk= 1758, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 304, 305,
&end
#
# 0 AMB 25-3:1759 19 PRO HD- 7.00 (# 1759:25 Single Ambig)
&rst
ixpk= 1759, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
igr1= 895, 896, 897, 899, 900, 901, 278, 279, 280, 282,
283, 284,
igr2= 304, 305,
&end
#
# 0 AMB 25-3:1760 19 PRO HD- 4.50 (# 1760:25 Single Ambig)
&rst
ixpk= 1760, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 292, 293, 15, 16, 17,
igr2= 304, 305,
&end
#
# 18 GLU HG- 19 PRO HD- 4.50 (# 1761:25 Unique 2.00, 4.97 A)
&rst
ixpk= 1761, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 295, 296,
igr2= 304, 305,
&end
#
# 19 PRO HB+ 19 PRO HD- 4.50 (# 1762:25 Preassigned 2.98, 3.70 A)
&rst
ixpk= 1762, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 310, 311,
igr2= 304, 305,
&end
#
# 1 MET HG+ 19 PRO HD- 5.50 (# 1763:25 Preassigned 2.28, 4.43 A)
&rst
ixpk= 1763, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 11, 12,
igr2= 304, 305,
&end
#
# 19 PRO HA 19 PRO HD- 4.50 (# 1764:25 Unique 3.60, 3.85 A)
&rst
ixpk= 1764, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 304, 305,
&end
#
# 20 SER HN 19 PRO HD- 4.50 (# 1765:25 Preassigned 2.78, 3.39 A)
&rst
ixpk= 1765, nxpk= 25, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 304, 305,
&end
#
# 18 GLU HN 19 PRO HD- 5.50 (# 1766:25 Preassigned 4.82, 4.89 A)
&rst
ixpk= 1766, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 304, 305,
&end
#
# 19 PRO HD+ 20 SER HA 5.50 (# 1767:25 Preassigned 5.50, 6.00 A)
&rst
ixpk= 1767, nxpk= 25, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 304, 305,
&end
#
# 21 ASP HA 20 SER HA 4.50 (# 1768:25 Preassigned 4.68, 4.71 A)
&rst
ixpk= 1768, nxpk= 25, iat= 330, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 THR HA 20 SER HA 5.50 (# 1769:25 Preassigned 5.36, 5.39 A)
&rst
ixpk= 1769, nxpk= 25, iat= 874, 319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ASP HN 20 SER HA 4.50 (# 1770:25 Preassigned 3.20, 3.23 A)
&rst
ixpk= 1770, nxpk= 25, iat= 328, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 SER HN 20 SER HA 4.50 (# 1771:25 Preassigned 3.56, 3.64 A)
&rst
ixpk= 1771, nxpk= 25, iat= 905, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 THR QG2 20 SER HB+ 4.50 (# 1772:25 Preassigned 4.53, 5.64 A)
&rst
ixpk= 1772, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 878, 879, 880,
igr2= 321, 322,
&end
#
# 18 GLU HB- 20 SER HB+ 5.50 (# 1773:25 Preassigned 4.20, 5.34 A)
&rst
ixpk= 1773, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 292, 293,
igr2= 321, 322,
&end
#
# 19 PRO HG- 20 SER HB+ 5.50 (# 1774:25 Preassigned 4.31, 5.73 A)
&rst
ixpk= 1774, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 307, 308,
igr2= 321, 322,
&end
#
# 0 AMB 25-3:1775 0 AMB 25-1:1775 5.50 (# 1775:25 Double Ambig)
&rst
ixpk= 1775, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 295, 296, 307, 308,
igr2= 321, 322, 321, 322,
&end
#
# 19 PRO HB+ 20 SER HB+ 7.00 (# 1776:25 Preassigned 5.00, 6.30 A)
&rst
ixpk= 1776, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 310, 311,
igr2= 321, 322,
&end
#
# 55 THR HB 20 SER HB+ 4.50 (# 1777:25 Preassigned 5.06, 5.14 A)
&rst
ixpk= 1777, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 321, 322,
&end
#
# 21 ASP HA 20 SER HB+ 5.50 (# 1778:25 Preassigned 4.24, 4.97 A)
&rst
ixpk= 1778, nxpk= 25, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 321, 322,
&end
#
# 20 SER HN 20 SER HB+ 4.50 (# 1780:25 Preassigned 3.36, 3.42 A)
&rst
ixpk= 1780, nxpk= 25, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 321, 322,
&end
#
# 21 ASP HN 20 SER HB+ 5.50 (# 1781:25 Preassigned 3.87, 4.27 A)
&rst
ixpk= 1781, nxpk= 25, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 321, 322,
&end
#
# 56 LEU HN 20 SER HB+ 7.00 (# 1782:25 Preassigned 6.65, 6.72 A)
&rst
ixpk= 1782, nxpk= 25, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 321, 322,
&end
#
# 55 THR QG2 20 SER HB- 4.50 (# 1783:25 Preassigned 4.53, 5.64 A)
&rst
ixpk= 1783, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 878, 879, 880,
igr2= 321, 322,
&end
#
# 19 PRO HB- 20 SER HB- 5.50 (# 1784:25 Preassigned 5.00, 6.30 A)
&rst
ixpk= 1784, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 310, 311,
igr2= 321, 322,
&end
#
# 0 AMB 25-3:1785 20 SER HB- 5.50 (# 1785:25 Single Ambig)
&rst
ixpk= 1785, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 295, 296, 307, 308,
igr2= 321, 322,
&end
#
# 19 PRO HB+ 20 SER HB- 7.00 (# 1786:25 Preassigned 5.00, 6.30 A)
&rst
ixpk= 1786, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 310, 311,
igr2= 321, 322,
&end
#
# 19 PRO HD+ 20 SER HB- 5.50 (# 1787:25 Preassigned 5.35, 6.23 A)
&rst
ixpk= 1787, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 304, 305,
igr2= 321, 322,
&end
#
# 55 THR HB 20 SER HB- 4.50 (# 1788:25 Preassigned 5.06, 5.14 A)
&rst
ixpk= 1788, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 321, 322,
&end
#
# 21 ASP HA 20 SER HB- 5.50 (# 1789:25 Preassigned 4.24, 4.97 A)
&rst
ixpk= 1789, nxpk= 25, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 321, 322,
&end
#
# 21 ASP HN 20 SER HB- 4.50 (# 1791:25 Preassigned 3.87, 4.27 A)
&rst
ixpk= 1791, nxpk= 25, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 321, 322,
&end
#
# 20 SER HN 21 ASP HA 5.50 (# 1792:25 Preassigned 4.61, 4.64 A)
&rst
ixpk= 1792, nxpk= 25, iat= 317, 330, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ASN HD2+ 21 ASP HA 5.50 (# 1793:25 Preassigned 3.40, 4.16 A)
&rst
ixpk= 1793, nxpk= 25, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 397, 398,
&end
#
# 25 ASN HB+ 21 ASP HA 4.50 (# 1794:25 Preassigned 4.70, 5.29 A)
&rst
ixpk= 1794, nxpk= 25, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 392, 393,
&end
#
# 22 THR QG2 21 ASP HA 4.50 (# 1795:25 Preassigned 4.20, 5.22 A)
&rst
ixpk= 1795, nxpk= 25, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 346, 347, 348,
&end
#
# 26 VAL QG+ 21 ASP HA 5.50 (# 1796:25 Preassigned 5.41, 7.58 A)
&rst
ixpk= 1796, nxpk= 25, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 408, 409, 410, 412, 413, 414,
&end
#
# 0 AMB 25-3:1797 21 ASP HA 5.50 (# 1797:25 Single Ambig)
&rst
ixpk= 1797, nxpk= 25, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 408, 409, 410, 412, 413, 414, 895, 896, 897, 899,
900, 901, 278, 279, 280, 282, 283, 284,
&end
#
# 17 VAL QG+ 21 ASP HB+ 7.00 (# 1798:25 Preassigned 4.15, 5.42 A)
&rst
ixpk= 1798, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 332, 333,
&end
#
# 56 LEU QD+ 21 ASP HB+ 5.50 (# 1799:25 Preassigned 3.12, 5.36 A)
&rst
ixpk= 1799, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 895, 896, 897, 899, 900, 901,
igr2= 332, 333,
&end
#
# 56 LEU QD- 21 ASP HB+ 3.50 (# 1800:25 Preassigned 3.12, 5.36 A)
&rst
ixpk= 1800, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 895, 896, 897, 899, 900, 901,
igr2= 332, 333,
&end
#
# 26 VAL QG+ 21 ASP HB+ 4.50 (# 1801:25 Preassigned 2.89, 5.66 A)
&rst
ixpk= 1801, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 408, 409, 410, 412, 413, 414,
igr2= 332, 333,
&end
#
# 0 AMB 25-3:1802 0 AMB 25-1:1802 5.50 (# 1802:25 Double Ambig)
&rst
ixpk= 1802, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 890, 891, 346, 347, 348,
igr2= 332, 333, 332, 333,
&end
#
# 0 AMB 25-3:1803 0 AMB 25-1:1803 5.50 (# 1803:25 Double Ambig)
&rst
ixpk= 1803, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 425, 426, 428, 429, 292, 293,
igr2= 833, 834, 332, 333,
&end
#
# 56 LEU HG 21 ASP HB+ 5.50 (# 1804:25 Preassigned 2.92, 3.75 A)
&rst
ixpk= 1804, nxpk= 25, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 332, 333,
&end
#
# 18 GLU HG- 21 ASP HB+ 4.50 (# 1805:25 Unique 1.90, 3.94 A)
&rst
ixpk= 1805, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 295, 296,
igr2= 332, 333,
&end
#
# 25 ASN HB+ 21 ASP HB+ 4.50 (# 1806:25 Preassigned 3.30, 4.97 A)
&rst
ixpk= 1806, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 392, 393,
igr2= 332, 333,
&end
#
# 24 GLU HA 52 ASP HB- 7.00 (# 1807:25 Preassigned 1.87, 2.65 A)
&rst
ixpk= 1807, nxpk= 25, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 833, 834,
&end
#
# 53 GLY HA- 52 ASP HB- 5.50 (# 1808:25 Preassigned 4.13, 5.47 A)
&rst
ixpk= 1808, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 843, 844,
igr2= 833, 834,
&end
#
# 52 ASP HA 52 ASP HB- 3.50 (# 1809:25 Preassigned 2.25, 2.50 A)
&rst
ixpk= 1809, nxpk= 25, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 833, 834,
&end
#
# 0 AMB 25-3:1810 0 AMB 25-1:1810 4.50 (# 1810:25 Double Ambig)
&rst
ixpk= 1810, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 816, 876, 390,
igr2= 833, 834, 332, 333, 332, 333,
&end
#
# 21 ASP HA 21 ASP HB+ 3.50 (# 1811:25 Preassigned 2.34, 2.74 A)
&rst
ixpk= 1811, nxpk= 25, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 332, 333,
&end
#
# 22 THR HB 0 AMB 25-1:1812 7.00 (# 1812:25 Single Ambig)
&rst
ixpk= 1812, nxpk= 25, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 833, 834, 332, 333,
&end
#
# 22 THR HN 21 ASP HB+ 4.50 (# 1813:25 Preassigned 2.99, 3.80 A)
&rst
ixpk= 1813, nxpk= 25, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 332, 333,
&end
#
# 18 GLU HN 21 ASP HB+ 4.50 (# 1814:25 Preassigned 2.55, 3.37 A)
&rst
ixpk= 1814, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 332, 333,
&end
#
# 9 THR HB 9 THR QG2 2.80 (# 1815:25 Preassigned 2.30, 2.64 A)
&rst
ixpk= 1815, nxpk= 25, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 154, 155, 156,
&end
#
# 10 GLY HA- 9 THR QG2 5.50 (# 1816:25 Unique 3.76, 5.27 A)
&rst
ixpk= 1816, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 164, 165,
igr2= 154, 155, 156,
&end
#
# 12 THR HN 7 THR QG2 7.00 (# 1817:25 Preassigned 5.49, 6.62 A)
&rst
ixpk= 1817, nxpk= 25, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 121, 122, 123,
&end
#
# 26 VAL HN 23 ILE HA 3.50 (# 1818:25 Preassigned 3.27, 3.30 A)
&rst
ixpk= 1818, nxpk= 25, iat= 402, 356, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:1819 23 ILE HA 4.50 (# 1819:25 Single Ambig)
&rst
ixpk= 1819, nxpk= 25, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 388, 340,
&end
#
# 55 THR HA 23 ILE HA 7.00 (# 1820:25 Preassigned 4.34, 4.42 A)
&rst
ixpk= 1820, nxpk= 25, iat= 874, 356, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 22 THR HB 23 ILE HA 5.50 (# 1821:25 Preassigned 4.86, 4.90 A)
&rst
ixpk= 1821, nxpk= 25, iat= 344, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1822 23 ILE HA 7.00 (# 1822:25 Single Ambig)
&rst
ixpk= 1822, nxpk= 25, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 330, 850,
&end
#
# 0 AMB 25-3:1823 23 ILE HA 7.00 (# 1823:25 Single Ambig)
&rst
ixpk= 1823, nxpk= 25, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 390, 876,
&end
#
# 52 ASP HA 23 ILE HA 5.50 (# 1824:25 Preassigned 4.02, 4.05 A)
&rst
ixpk= 1824, nxpk= 25, iat= 831, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1825 23 ILE HA 7.00 (# 1825:25 Single Ambig)
&rst
ixpk= 1825, nxpk= 25, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 888, 797,
&end
#
# 24 GLU HA 23 ILE HA 7.00 (# 1826:25 Preassigned 4.86, 4.88 A)
&rst
ixpk= 1826, nxpk= 25, iat= 375, 356, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 26 VAL HA 23 ILE HA 5.50 (# 1827:25 Preassigned 5.06, 5.09 A)
&rst
ixpk= 1827, nxpk= 25, iat= 404, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ASN HB- 23 ILE HA 5.50 (# 1828:25 Preassigned 5.88, 6.55 A)
&rst
ixpk= 1828, nxpk= 25, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 392, 393,
&end
#
# 23 ILE HB 23 ILE HA 4.50 (# 1829:25 Preassigned 3.02, 3.02 A)
&rst
ixpk= 1829, nxpk= 25, iat= 358, 356, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1830 23 ILE HA 5.50 (# 1830:25 Single Ambig)
&rst
ixpk= 1830, nxpk= 25, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 377, 378, 377, 378, 852, 853,
&end
#
# 23 ILE HG1+ 23 ILE HA 4.50 (# 1831:25 Preassigned 3.44, 3.49 A)
&rst
ixpk= 1831, nxpk= 25, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 364, 365,
&end
#
# 56 LEU HG 23 ILE HA 5.50 (# 1832:25 Preassigned 4.60, 4.82 A)
&rst
ixpk= 1832, nxpk= 25, iat= 893, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1833 23 ILE HA 7.00 (# 1833:25 Single Ambig)
&rst
ixpk= 1833, nxpk= 25, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 428, 429, 428, 429,
&end
#
# 0 AMB 25-3:1834 23 ILE HA 5.50 (# 1834:25 Single Ambig)
&rst
ixpk= 1834, nxpk= 25, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 425, 426, 685, 686,
&end
#
# 0 AMB 25-3:1835 23 ILE HA 5.50 (# 1835:25 Single Ambig)
&rst
ixpk= 1835, nxpk= 25, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 799, 800, 422, 423,
&end
#
# 23 ILE HG1- 23 ILE HA 4.50 (# 1836:25 Preassigned 3.44, 3.49 A)
&rst
ixpk= 1836, nxpk= 25, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 364, 365,
&end
#
# 23 ILE QD1 23 ILE HB 4.50 (# 1837:25 Preassigned 3.63, 3.86 A)
&rst
ixpk= 1837, nxpk= 25, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 367, 368, 369,
&end
#
# 23 ILE HG1- 23 ILE HB 4.50 (# 1838:25 Preassigned 2.28, 2.48 A)
&rst
ixpk= 1838, nxpk= 25, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 364, 365,
&end
#
# 0 AMB 25-3:1839 23 ILE HB 5.50 (# 1839:25 Single Ambig)
&rst
ixpk= 1839, nxpk= 25, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 799, 800, 422, 423,
&end
#
# 23 ILE HG1+ 23 ILE HB 5.50 (# 1840:25 Preassigned 2.28, 2.48 A)
&rst
ixpk= 1840, nxpk= 25, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 364, 365,
&end
#
# 0 AMB 25-3:1841 23 ILE HB 5.50 (# 1841:25 Single Ambig)
&rst
ixpk= 1841, nxpk= 25, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 852, 853, 377, 378, 377, 378,
&end
#
# 54 ARG HD+ 23 ILE HB 7.00 (# 1842:25 Preassigned 6.55, 7.56 A)
&rst
ixpk= 1842, nxpk= 25, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 858, 859,
&end
#
# 23 ILE HA 23 ILE HB 5.50 (# 1843:25 Preassigned 3.02, 3.02 A)
&rst
ixpk= 1843, nxpk= 25, iat= 356, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ASP HA 23 ILE HB 4.50 (# 1844:25 Preassigned 1.66, 1.69 A)
&rst
ixpk= 1844, nxpk= 25, iat= 831, 358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 THR HB 23 ILE HB 5.50 (# 1845:25 Preassigned 4.32, 4.37 A)
&rst
ixpk= 1845, nxpk= 25, iat= 344, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 THR HA 23 ILE HB 5.50 (# 1846:25 Preassigned 4.82, 4.85 A)
&rst
ixpk= 1846, nxpk= 25, iat= 342, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 THR HA 23 ILE HB 7.00 (# 1847:25 Preassigned 5.13, 5.16 A)
&rst
ixpk= 1847, nxpk= 25, iat= 874, 358, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 59 TYR HE1 23 ILE HB 7.00 (# 1848:25 Preassigned 4.24, 4.30 A)
&rst
ixpk= 1848, nxpk= 25, iat= 938, 358, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 54 ARG HN 23 ILE HB 5.50 (# 1849:25 Preassigned 3.41, 3.52 A)
&rst
ixpk= 1849, nxpk= 25, iat= 848, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ASP HN 23 ILE HB 5.50 (# 1850:25 Preassigned 3.35, 3.40 A)
&rst
ixpk= 1850, nxpk= 25, iat= 829, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ILE HN 23 ILE HB 4.50 (# 1851:25 Preassigned 2.68, 2.71 A)
&rst
ixpk= 1851, nxpk= 25, iat= 354, 358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1852 69 LEU HG 5.50 (# 1852:25 Single Ambig)
&rst
ixpk= 1852, nxpk= 25, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1116, 129,
&end
#
# 51 GLU HN 23 ILE HG1- 4.50 (# 1853:25 Unique 2.44, 2.84 A)
&rst
ixpk= 1853, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 364, 365,
&end
#
# 23 ILE HN 23 ILE HG1- 4.50 (# 1854:25 Preassigned 2.13, 2.95 A)
&rst
ixpk= 1854, nxpk= 25, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 364, 365,
&end
#
# 0 AMB 25-3:1855 23 ILE HG1- 5.50 (# 1855:25 Single Ambig)
&rst
ixpk= 1855, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 829, 886, 402,
igr2= 364, 365,
&end
#
# 54 ARG HN 23 ILE HG1- 7.00 (# 1856:25 Preassigned 2.90, 3.66 A)
&rst
ixpk= 1856, nxpk= 25, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 364, 365,
&end
#
# 59 TYR HD1 23 ILE HG1- 5.50 (# 1857:25 Unique 3.81, 4.00 A)
&rst
ixpk= 1857, nxpk= 25, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 364, 365,
&end
#
# 59 TYR HE1 23 ILE HG1- 4.50 (# 1858:25 Preassigned 2.10, 2.27 A)
&rst
ixpk= 1858, nxpk= 25, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 364, 365,
&end
#
# 0 AMB 25-3:1859 0 AMB 25-1:1859 4.50 (# 1859:25 Double Ambig)
&rst
ixpk= 1859, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 874,1099,
igr2= 364, 365,1104,
&end
#
# 0 AMB 25-3:1860 0 AMB 25-1:1860 5.50 (# 1860:25 Double Ambig)
&rst
ixpk= 1860, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 119, 344,
igr2=1104, 364, 365,
&end
#
# 52 ASP HA 23 ILE HG1- 5.50 (# 1861:25 Unique 3.71, 4.06 A)
&rst
ixpk= 1861, nxpk= 25, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 364, 365,
&end
#
# 0 AMB 25-3:1862 23 ILE HG1- 5.50 (# 1862:25 Single Ambig)
&rst
ixpk= 1862, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 797, 888,
igr2= 364, 365,
&end
#
# 23 ILE HA 23 ILE HG1- 5.50 (# 1863:25 Preassigned 3.44, 3.49 A)
&rst
ixpk= 1863, nxpk= 25, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 364, 365,
&end
#
# 54 ARG HD+ 23 ILE HG1- 5.50 (# 1864:25 Preassigned 5.27, 6.14 A)
&rst
ixpk= 1864, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 858, 859,
igr2= 364, 365,
&end
#
# 23 ILE HB 23 ILE HG1- 4.50 (# 1865:25 Preassigned 2.28, 2.48 A)
&rst
ixpk= 1865, nxpk= 25, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 364, 365,
&end
#
# 30 ILE HB 69 LEU HG 5.50 (# 1866:25 Preassigned 4.94, 5.25 A)
&rst
ixpk= 1866, nxpk= 25, iat= 476,1104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ARG HB+ 23 ILE HG1- 5.50 (# 1867:25 Preassigned 2.40, 3.41 A)
&rst
ixpk= 1867, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 852, 853,
igr2= 364, 365,
&end
#
# 54 ARG HB- 23 ILE HG1- 5.50 (# 1868:25 Preassigned 2.40, 3.41 A)
&rst
ixpk= 1868, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 852, 853,
igr2= 364, 365,
&end
#
# 56 LEU HG 23 ILE HG1- 5.50 (# 1869:25 Preassigned 6.22, 6.60 A)
&rst
ixpk= 1869, nxpk= 25, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 364, 365,
&end
#
# 0 AMB 25-3:1870 23 ILE HG1- 3.50 (# 1870:25 Single Ambig)
&rst
ixpk= 1870, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 802, 685, 686,
igr2= 364, 365,
&end
#
# 0 AMB 25-3:1871 0 AMB 25-1:1871 3.50 (# 1871:25 Double Ambig)
&rst
ixpk= 1871, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 799, 800,1101,1102,
igr2= 364, 365,1104,
&end
#
# 69 LEU QD+ 69 LEU HG 3.50 (# 1872:25 Preassigned 2.22, 2.63 A)
&rst
ixpk= 1872, nxpk= 25, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 69 LEU QD- 69 LEU HG 3.50 (# 1873:25 Preassigned 2.22, 2.63 A)
&rst
ixpk= 1873, nxpk= 25, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 23 ILE QD1 23 ILE HG1- 3.50 (# 1874:25 Preassigned 2.27, 2.62 A)
&rst
ixpk= 1874, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 367, 368, 369,
igr2= 364, 365,
&end
#
# 50 LEU QD- 23 ILE HG1- 5.50 (# 1875:25 Preassigned 2.60, 5.13 A)
&rst
ixpk= 1875, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 364, 365,
&end
#
# 0 AMB 25-3:1876 0 AMB 25-1:1876 3.50 (# 1876:25 Double Ambig)
&rst
ixpk= 1876, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 354, 491,
igr2= 364, 365, 495, 496,
&end
#
# 59 TYR HE1 23 ILE HG1+ 4.50 (# 1877:25 Preassigned 2.10, 2.27 A)
&rst
ixpk= 1877, nxpk= 25, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 364, 365,
&end
#
# 22 THR HA 23 ILE HG1+ 5.50 (# 1878:25 Preassigned 4.05, 4.94 A)
&rst
ixpk= 1878, nxpk= 25, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 364, 365,
&end
#
# 22 THR HB 23 ILE HG1+ 5.50 (# 1879:25 Preassigned 4.66, 5.55 A)
&rst
ixpk= 1879, nxpk= 25, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 364, 365,
&end
#
# 0 AMB 25-3:1880 0 AMB 25-1:1880 5.50 (# 1880:25 Double Ambig)
&rst
ixpk= 1880, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 831, 566,
igr2= 364, 365, 495, 496,
&end
#
# 23 ILE HA 23 ILE HG1+ 4.50 (# 1881:25 Preassigned 3.44, 3.49 A)
&rst
ixpk= 1881, nxpk= 25, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 364, 365,
&end
#
# 54 ARG HB+ 23 ILE HG1+ 4.50 (# 1882:25 Unique 2.40, 3.41 A)
&rst
ixpk= 1882, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 852, 853,
igr2= 364, 365,
&end
#
# 50 LEU HB+ 23 ILE HG1+ 5.50 (# 1883:25 Preassigned 1.78, 3.02 A)
&rst
ixpk= 1883, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 799, 800,
igr2= 364, 365,
&end
#
# 50 LEU HB- 23 ILE HG1+ 4.50 (# 1884:25 Preassigned 1.78, 3.02 A)
&rst
ixpk= 1884, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 799, 800,
igr2= 364, 365,
&end
#
# 23 ILE QG2 23 ILE HG1+ 3.50 (# 1885:25 Preassigned 2.02, 3.34 A)
&rst
ixpk= 1885, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 360, 361, 362,
igr2= 364, 365,
&end
#
# 23 ILE QD1 23 ILE HG1+ 3.50 (# 1886:25 Preassigned 2.27, 2.62 A)
&rst
ixpk= 1886, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 367, 368, 369,
igr2= 364, 365,
&end
#
# 50 LEU QD- 23 ILE QG2 5.50 (# 1887:25 Preassigned 2.69, 5.69 A)
&rst
ixpk= 1887, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 360, 361, 362,
&end
#
# 27 LYS HA 23 ILE QG2 5.50 (# 1888:25 Unique 4.52, 5.36 A)
&rst
ixpk= 1888, nxpk= 25, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 360, 361, 362,
&end
#
# 22 THR HA 23 ILE QG2 5.50 (# 1889:25 Preassigned 6.37, 6.64 A)
&rst
ixpk= 1889, nxpk= 25, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 360, 361, 362,
&end
#
# 59 TYR HE1 23 ILE QG2 5.50 (# 1890:25 Preassigned 4.25, 5.16 A)
&rst
ixpk= 1890, nxpk= 25, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 360, 361, 362,
&end
#
# 59 TYR HD1 23 ILE QG2 7.00 (# 1891:25 Preassigned 5.32, 6.44 A)
&rst
ixpk= 1891, nxpk= 25, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 360, 361, 362,
&end
#
# 54 ARG HN 23 ILE QG2 5.50 (# 1892:25 Preassigned 5.27, 5.78 A)
&rst
ixpk= 1892, nxpk= 25, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 360, 361, 362,
&end
#
# 0 AMB 25-3:1893 23 ILE QG2 5.50 (# 1893:25 Single Ambig)
&rst
ixpk= 1893, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 388, 440,
igr2= 360, 361, 362,
&end
#
# 0 AMB 25-3:1894 23 ILE QG2 3.50 (# 1894:25 Single Ambig)
&rst
ixpk= 1894, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 418, 354,
igr2= 360, 361, 362,
&end
#
# 43 LEU HN 23 ILE QG2 5.50 (# 1895:25 Preassigned 3.82, 4.69 A)
&rst
ixpk= 1895, nxpk= 25, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 360, 361, 362,
&end
#
# 55 THR HN 23 ILE QD1 5.50 (# 1897:25 Unique 4.02, 4.85 A)
&rst
ixpk= 1897, nxpk= 25, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 367, 368, 369,
&end
#
# 0 AMB 25-3:1898 23 ILE QD1 5.50 (# 1898:25 Single Ambig)
&rst
ixpk= 1898, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 814, 905,
igr2= 367, 368, 369,
&end
#
# 0 AMB 25-3:1899 23 ILE QD1 5.50 (# 1899:25 Single Ambig)
&rst
ixpk= 1899, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 916, 340, 388,
igr2= 367, 368, 369,
&end
#
# 54 ARG HN 23 ILE QD1 5.50 (# 1900:25 Preassigned 4.87, 5.49 A)
&rst
ixpk= 1900, nxpk= 25, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 367, 368, 369,
&end
#
# 22 THR HB 23 ILE QD1 5.50 (# 1901:25 Preassigned 4.94, 5.88 A)
&rst
ixpk= 1901, nxpk= 25, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 367, 368, 369,
&end
#
# 54 ARG HA 23 ILE QD1 5.50 (# 1902:25 Preassigned 5.36, 6.14 A)
&rst
ixpk= 1902, nxpk= 25, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 367, 368, 369,
&end
#
# 55 THR HB 23 ILE QD1 5.50 (# 1903:25 Preassigned 4.55, 5.58 A)
&rst
ixpk= 1903, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 367, 368, 369,
&end
#
# 52 ASP HA 23 ILE QD1 5.50 (# 1904:25 Preassigned 5.05, 5.39 A)
&rst
ixpk= 1904, nxpk= 25, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 367, 368, 369,
&end
#
# 24 GLU HA 23 ILE QD1 7.00 (# 1905:25 Preassigned 6.59, 7.10 A)
&rst
ixpk= 1905, nxpk= 25, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 367, 368, 369,
&end
#
# 59 TYR HB- 23 ILE QD1 5.50 (# 1906:25 Preassigned 4.17, 5.77 A)
&rst
ixpk= 1906, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 932, 933,
igr2= 367, 368, 369,
&end
#
# 26 VAL HA 23 ILE QD1 7.00 (# 1907:25 Preassigned 6.26, 7.13 A)
&rst
ixpk= 1907, nxpk= 25, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 367, 368, 369,
&end
#
# 45 PHE HB+ 23 ILE QD1 5.50 (# 1908:25 Preassigned 6.07, 7.45 A)
&rst
ixpk= 1908, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 723, 724,
igr2= 367, 368, 369,
&end
#
# 58 ASP HB+ 23 ILE QD1 5.50 (# 1909:25 Preassigned 4.85, 6.00 A)
&rst
ixpk= 1909, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 920, 921,
igr2= 367, 368, 369,
&end
#
# 0 AMB 25-3:1910 25 ASN HA 5.50 (# 1910:25 Single Ambig)
&rst
ixpk= 1910, nxpk= 25, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 463, 464, 332, 333,
&end
#
# 26 VAL HA 25 ASN HA 5.50 (# 1911:25 Preassigned 4.80, 4.81 A)
&rst
ixpk= 1911, nxpk= 25, iat= 404, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 GLU HA 25 ASN HA 5.50 (# 1912:25 Preassigned 4.76, 4.77 A)
&rst
ixpk= 1912, nxpk= 25, iat= 375, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1913 25 ASN HA 5.50 (# 1913:25 Single Ambig)
&rst
ixpk= 1913, nxpk= 25, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 442, 452,
&end
#
# 25 ASN HD2+ 25 ASN HA 4.50 (# 1914:25 Preassigned 3.93, 4.51 A)
&rst
ixpk= 1914, nxpk= 25, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 397, 398,
&end
#
# 26 VAL HN 25 ASN HA 4.50 (# 1915:25 Preassigned 3.53, 3.53 A)
&rst
ixpk= 1915, nxpk= 25, iat= 402, 390, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:1916 0 AMB 25-1:1916 5.50 (# 1916:25 Double Ambig)
&rst
ixpk= 1916, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 418, 354,
igr2= 392, 393, 392, 393,
&end
#
# 26 VAL HN 25 ASN HB+ 4.50 (# 1917:25 Preassigned 3.40, 3.76 A)
&rst
ixpk= 1917, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 392, 393,
&end
#
# 25 ASN HD2+ 25 ASN HB+ 5.50 (# 1918:25 Preassigned 2.36, 3.40 A)
&rst
ixpk= 1918, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 397, 398,
igr2= 392, 393,
&end
#
# 22 THR HB 25 ASN HB+ 5.50 (# 1920:25 Preassigned 4.90, 5.95 A)
&rst
ixpk= 1920, nxpk= 25, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 392, 393,
&end
#
# 21 ASP HA 25 ASN HB+ 4.50 (# 1921:25 Preassigned 4.70, 5.29 A)
&rst
ixpk= 1921, nxpk= 25, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 392, 393,
&end
#
# 24 GLU HA 25 ASN HB+ 7.00 (# 1922:25 Preassigned 5.61, 6.14 A)
&rst
ixpk= 1922, nxpk= 25, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 392, 393,
&end
#
# 23 ILE HA 25 ASN HB+ 5.50 (# 1923:25 Preassigned 5.88, 6.55 A)
&rst
ixpk= 1923, nxpk= 25, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 392, 393,
&end
#
# 21 ASP HB+ 25 ASN HB+ 4.50 (# 1924:25 Preassigned 3.30, 4.97 A)
&rst
ixpk= 1924, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 332, 333,
igr2= 392, 393,
&end
#
# 0 AMB 25-3:1925 0 AMB 25-1:1925 4.50 (# 1925:25 Double Ambig)
&rst
ixpk= 1925, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 380, 381, 380, 381,
igr2= 392, 393, 392, 393,
&end
#
# 0 AMB 25-3:1926 0 AMB 25-1:1926 4.50 (# 1926:25 Double Ambig)
&rst
ixpk= 1926, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 377, 378, 377, 378,
igr2= 392, 393, 392, 393,
&end
#
# 0 AMB 25-3:1927 0 AMB 25-1:1927 5.50 (# 1927:25 Double Ambig)
&rst
ixpk= 1927, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 457, 458, 444, 445, 446,
igr2= 392, 393, 392, 393,
&end
#
# 22 THR QG2 25 ASN HB+ 5.50 (# 1928:25 Preassigned 5.86, 7.24 A)
&rst
ixpk= 1928, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 346, 347, 348,
igr2= 392, 393,
&end
#
# 26 VAL QG+ 25 ASN HB+ 5.50 (# 1929:25 Preassigned 4.13, 6.75 A)
&rst
ixpk= 1929, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 408, 409, 410, 412, 413, 414,
igr2= 392, 393,
&end
#
# 26 VAL QG- 25 ASN HB+ 5.50 (# 1930:25 Preassigned 4.13, 6.75 A)
&rst
ixpk= 1930, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 408, 409, 410, 412, 413, 414,
igr2= 392, 393,
&end
#
# 26 VAL QG- 25 ASN HB- 4.50 (# 1931:25 Preassigned 4.13, 6.75 A)
&rst
ixpk= 1931, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 408, 409, 410, 412, 413, 414,
igr2= 392, 393,
&end
#
# 26 VAL QG+ 25 ASN HB- 4.50 (# 1932:25 Preassigned 4.13, 6.75 A)
&rst
ixpk= 1932, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 408, 409, 410, 412, 413, 414,
igr2= 392, 393,
&end
#
# 22 THR QG2 25 ASN HB- 5.50 (# 1933:25 Preassigned 5.86, 7.24 A)
&rst
ixpk= 1933, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 346, 347, 348,
igr2= 392, 393,
&end
#
# 0 AMB 25-3:1934 25 ASN HB- 4.50 (# 1934:25 Single Ambig)
&rst
ixpk= 1934, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 457, 458, 444, 445, 446,
igr2= 392, 393,
&end
#
# 0 AMB 25-3:1935 25 ASN HB- 5.50 (# 1935:25 Single Ambig)
&rst
ixpk= 1935, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 457, 458, 460, 461,
igr2= 392, 393,
&end
#
# 0 AMB 25-3:1936 25 ASN HB- 5.50 (# 1936:25 Single Ambig)
&rst
ixpk= 1936, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 377, 378, 377, 378,
igr2= 392, 393,
&end
#
# 0 AMB 25-3:1937 25 ASN HB- 5.50 (# 1937:25 Single Ambig)
&rst
ixpk= 1937, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 380, 381, 380, 381,
igr2= 392, 393,
&end
#
# 21 ASP HB+ 25 ASN HB- 4.50 (# 1938:25 Preassigned 3.30, 4.97 A)
&rst
ixpk= 1938, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 332, 333,
igr2= 392, 393,
&end
#
# 23 ILE HA 25 ASN HB- 5.50 (# 1939:25 Preassigned 5.88, 6.55 A)
&rst
ixpk= 1939, nxpk= 25, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 392, 393,
&end
#
# 21 ASP HA 25 ASN HB- 4.50 (# 1940:25 Preassigned 4.70, 5.29 A)
&rst
ixpk= 1940, nxpk= 25, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 392, 393,
&end
#
# 22 THR HB 25 ASN HB- 5.50 (# 1941:25 Preassigned 4.90, 5.95 A)
&rst
ixpk= 1941, nxpk= 25, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 392, 393,
&end
#
# 25 ASN HD2+ 25 ASN HB- 5.50 (# 1942:25 Preassigned 2.36, 3.40 A)
&rst
ixpk= 1942, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 397, 398,
igr2= 392, 393,
&end
#
# 26 VAL HN 25 ASN HB- 4.50 (# 1943:25 Preassigned 3.40, 3.76 A)
&rst
ixpk= 1943, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 392, 393,
&end
#
# 0 AMB 25-3:1944 25 ASN HB- 5.50 (# 1944:25 Single Ambig)
&rst
ixpk= 1944, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 418, 354,
igr2= 392, 393,
&end
#
# 27 LYS HN 26 VAL HA 4.50 (# 1945:25 Preassigned 3.54, 3.55 A)
&rst
ixpk= 1945, nxpk= 25, iat= 418, 404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ILE HN 26 VAL HA 5.50 (# 1946:25 Preassigned 4.48, 4.53 A)
&rst
ixpk= 1946, nxpk= 25, iat= 472, 404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS HN 26 VAL HA 4.50 (# 1947:25 Preassigned 3.55, 3.56 A)
&rst
ixpk= 1947, nxpk= 25, iat= 450, 404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 ASN HA 26 VAL HA 5.50 (# 1948:25 Preassigned 4.80, 4.81 A)
&rst
ixpk= 1948, nxpk= 25, iat= 390, 404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS HA 26 VAL HA 5.50 (# 1949:25 Preassigned 5.53, 5.58 A)
&rst
ixpk= 1949, nxpk= 25, iat= 452, 404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ILE HA 26 VAL HA 5.50 (# 1950:25 Preassigned 5.06, 5.09 A)
&rst
ixpk= 1950, nxpk= 25, iat= 356, 404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1951 26 VAL HA 4.50 (# 1951:25 Single Ambig)
&rst
ixpk= 1951, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 463, 464, 392, 393,
&end
#
# 0 AMB 25-3:1952 26 VAL HA 4.50 (# 1952:25 Single Ambig)
&rst
ixpk= 1952, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 463, 464, 332, 333,
&end
#
# 25 ASN HB- 26 VAL HA 5.50 (# 1953:25 Preassigned 4.13, 5.13 A)
&rst
ixpk= 1953, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 392, 393,
&end
#
# 21 ASP HB+ 26 VAL HA 5.50 (# 1954:25 Preassigned 4.97, 5.69 A)
&rst
ixpk= 1954, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 332, 333,
&end
#
# 26 VAL HB 26 VAL HA 3.50 (# 1955:25 Preassigned 3.02, 3.02 A)
&rst
ixpk= 1955, nxpk= 25, iat= 406, 404, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 LYS HB+ 26 VAL HA 4.50 (# 1956:25 Preassigned 3.27, 3.99 A)
&rst
ixpk= 1956, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 454, 455,
&end
#
# 29 LYS HB- 26 VAL HA 4.50 (# 1957:25 Preassigned 3.27, 3.99 A)
&rst
ixpk= 1957, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 454, 455,
&end
#
# 29 LYS HG- 26 VAL HA 4.50 (# 1958:25 Unique 2.07, 2.86 A)
&rst
ixpk= 1958, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 457, 458,
&end
#
# 29 LYS HG+ 26 VAL HA 4.50 (# 1959:25 Preassigned 2.07, 2.86 A)
&rst
ixpk= 1959, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 457, 458,
&end
#
# 15 LEU HB+ 26 VAL HA 5.50 (# 1960:25 Preassigned 6.19, 6.44 A)
&rst
ixpk= 1960, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 242, 243,
&end
#
# 0 AMB 25-3:1961 26 VAL HA 5.50 (# 1961:25 Single Ambig)
&rst
ixpk= 1961, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 51, 52, 53, 367, 368, 369,
&end
#
# 17 VAL QG+ 26 VAL HA 7.00 (# 1962:25 Preassigned 3.08, 4.83 A)
&rst
ixpk= 1962, nxpk= 25, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 23 ILE QD1 26 VAL HB 4.50 (# 1963:25 Preassigned 3.50, 4.50 A)
&rst
ixpk= 1963, nxpk= 25, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 367, 368, 369,
&end
#
# 0 AMB 25-3:1964 26 VAL HB 4.50 (# 1964:25 Single Ambig)
&rst
ixpk= 1964, nxpk= 25, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 422, 423, 688, 799, 800,
&end
#
# 0 AMB 25-3:1965 26 VAL HB 5.50 (# 1965:25 Single Ambig)
&rst
ixpk= 1965, nxpk= 25, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 893, 428, 429,
&end
#
# 0 AMB 25-3:1966 26 VAL HB 5.50 (# 1966:25 Single Ambig)
&rst
ixpk= 1966, nxpk= 25, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 422, 423, 482, 483,
&end
#
# 26 VAL HA 26 VAL HB 4.50 (# 1967:25 Preassigned 3.02, 3.02 A)
&rst
ixpk= 1967, nxpk= 25, iat= 404, 406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 ILE HA 26 VAL HB 3.50 (# 1968:25 Preassigned 2.38, 2.41 A)
&rst
ixpk= 1968, nxpk= 25, iat= 356, 406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 ASN HA 26 VAL HB 5.50 (# 1969:25 Preassigned 5.77, 5.81 A)
&rst
ixpk= 1969, nxpk= 25, iat= 390, 406, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:1970 26 VAL HB 4.50 (# 1970:25 Single Ambig)
&rst
ixpk= 1970, nxpk= 25, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 388, 440, 450,
&end
#
# 27 LYS HN 26 VAL HB 4.50 (# 1971:25 Preassigned 2.43, 2.52 A)
&rst
ixpk= 1971, nxpk= 25, iat= 418, 406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ILE HN 26 VAL QG- 4.50 (# 1972:25 Preassigned 4.27, 6.12 A)
&rst
ixpk= 1972, nxpk= 25, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 0 AMB 25-3:1973 26 VAL QG- 4.50 (# 1973:25 Single Ambig)
&rst
ixpk= 1973, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 388, 340, 450,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 27 LYS HA 26 VAL QG- 4.50 (# 1974:25 Preassigned 3.33, 5.48 A)
&rst
ixpk= 1974, nxpk= 25, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 26 VAL HA 26 VAL QG- 3.50 (# 1975:25 Preassigned 2.32, 3.11 A)
&rst
ixpk= 1975, nxpk= 25, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 21 ASP HB+ 26 VAL QG- 5.50 (# 1976:25 Preassigned 2.89, 5.66 A)
&rst
ixpk= 1976, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 332, 333,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 29 LYS HB+ 26 VAL QG- 4.50 (# 1977:25 Preassigned 3.92, 6.07 A)
&rst
ixpk= 1977, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 454, 455,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 30 ILE HG1+ 26 VAL QG- 4.50 (# 1978:25 Preassigned 2.85, 5.48 A)
&rst
ixpk= 1978, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 482, 483,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 0 AMB 25-3:1979 26 VAL QG- 4.50 (# 1979:25 Single Ambig)
&rst
ixpk= 1979, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 893, 457, 458,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 0 AMB 25-3:1980 26 VAL QG- 4.50 (# 1980:25 Single Ambig)
&rst
ixpk= 1980, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 457, 458, 425, 426,1065,1066,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 0 AMB 25-3:1981 26 VAL QG- 4.50 (# 1981:25 Single Ambig)
&rst
ixpk= 1981, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 425, 426, 245, 422, 423, 460, 461,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 0 AMB 25-3:1982 26 VAL QG- 4.50 (# 1982:25 Single Ambig)
&rst
ixpk= 1982, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 890, 891, 242, 243,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 17 VAL QG+ 26 VAL QG- 5.50 (# 1983:25 Preassigned 2.81, 5.38 A)
&rst
ixpk= 1983, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 17 VAL QG+ 26 VAL QG+ 4.50 (# 1984:25 Preassigned 2.81, 5.38 A)
&rst
ixpk= 1984, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 29 LYS HD- 26 VAL QG+ 4.50 (# 1985:25 Preassigned 5.09, 7.04 A)
&rst
ixpk= 1985, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 460, 461,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 0 AMB 25-3:1986 0 AMB 25-1:1986 4.50 (# 1986:25 Double Ambig)
&rst
ixpk= 1986, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 457, 458, 425, 426,
igr2= 408, 409, 410, 412, 413, 414, 408, 409, 410, 412,
413, 414,
&end
#
# 0 AMB 25-3:1987 0 AMB 25-1:1987 4.50 (# 1987:25 Double Ambig)
&rst
ixpk= 1987, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 893, 457, 458,
igr2= 408, 409, 410, 412, 413, 414, 408, 409, 410, 412,
413, 414,
&end
#
# 56 LEU HB+ 26 VAL QG+ 4.50 (# 1988:25 Preassigned 5.08, 6.70 A)
&rst
ixpk= 1988, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 890, 891,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 26 VAL HB 26 VAL QG+ 3.50 (# 1989:25 Preassigned 2.23, 2.63 A)
&rst
ixpk= 1989, nxpk= 25, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 21 ASP HB+ 26 VAL QG+ 3.50 (# 1990:25 Preassigned 2.89, 5.66 A)
&rst
ixpk= 1990, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 332, 333,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 21 ASP HB- 26 VAL QG+ 4.50 (# 1991:25 Preassigned 2.89, 5.66 A)
&rst
ixpk= 1991, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 332, 333,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 25 ASN HB+ 26 VAL QG+ 4.50 (# 1992:25 Preassigned 4.13, 6.75 A)
&rst
ixpk= 1992, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 392, 393,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 26 VAL HA 26 VAL QG+ 3.50 (# 1993:25 Preassigned 2.32, 3.11 A)
&rst
ixpk= 1993, nxpk= 25, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 23 ILE HA 26 VAL QG+ 4.50 (# 1994:25 Preassigned 2.38, 4.04 A)
&rst
ixpk= 1994, nxpk= 25, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 25 ASN HA 26 VAL QG+ 5.50 (# 1995:25 Preassigned 5.53, 6.82 A)
&rst
ixpk= 1995, nxpk= 25, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 0 AMB 25-3:1996 0 AMB 25-1:1996 5.50 (# 1996:25 Double Ambig)
&rst
ixpk= 1996, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 330, 274,
igr2= 408, 409, 410, 412, 413, 414, 408, 409, 410, 412,
413, 414,
&end
#
# 0 AMB 25-3:1997 0 AMB 25-1:1997 4.50 (# 1997:25 Double Ambig)
&rst
ixpk= 1997, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1= 388, 340, 450,
igr2= 408, 409, 410, 412, 413, 414, 408, 409, 410, 412,
413, 414, 408, 409, 410, 412, 413, 414,
&end
#
# 26 VAL HN 26 VAL QG+ 3.50 (# 1998:25 Preassigned 2.18, 3.78 A)
&rst
ixpk= 1998, nxpk= 25, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 27 LYS HN 26 VAL QG+ 4.50 (# 1999:25 Preassigned 3.35, 4.44 A)
&rst
ixpk= 1999, nxpk= 25, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 408, 409, 410, 412, 413, 414,
&end
#
# 0 AMB 25-3:2000 0 AMB 25-1:2000 3.50 (# 2000:25 Double Ambig)
&rst
ixpk= 2000, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 51, 52, 53, 367, 368, 369,
igr2= 408, 409, 410, 412, 413, 414, 408, 409, 410, 412,
413, 414,
&end
#
# 27 LYS HG+ 27 LYS HA 4.50 (# 2001:25 Preassigned 2.11, 3.02 A)
&rst
ixpk= 2001, nxpk= 25, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 425, 426,
&end
#
# 38 PRO HB+ 27 LYS HA 4.50 (# 2002:25 Preassigned 4.56, 5.36 A)
&rst
ixpk= 2002, nxpk= 25, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 604, 605,
&end
#
# 0 AMB 25-3:2003 27 LYS HA 5.50 (# 2003:25 Single Ambig)
&rst
ixpk= 2003, nxpk= 25, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 607, 442,
&end
#
# 41 GLN HE2+ 27 LYS HA 4.50 (# 2004:25 Preassigned 2.79, 3.55 A)
&rst
ixpk= 2004, nxpk= 25, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 652, 653,
&end
#
# 41 GLN HE2- 27 LYS HA 4.50 (# 2005:25 Preassigned 2.79, 3.55 A)
&rst
ixpk= 2005, nxpk= 25, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 652, 653,
&end
#
# 28 ALA HN 27 LYS HA 4.50 (# 2006:25 Preassigned 3.56, 3.56 A)
&rst
ixpk= 2006, nxpk= 25, iat= 440, 420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ILE HN 27 LYS HA 4.50 (# 2007:25 Preassigned 3.39, 3.46 A)
&rst
ixpk= 2007, nxpk= 25, iat= 472, 420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 LYS HN 27 LYS HB+ 4.50 (# 2008:25 Preassigned 2.07, 3.07 A)
&rst
ixpk= 2008, nxpk= 25, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 422, 423,
&end
#
# 28 ALA HN 27 LYS HB+ 4.50 (# 2009:25 Preassigned 2.36, 2.97 A)
&rst
ixpk= 2009, nxpk= 25, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 422, 423,
&end
#
# 27 LYS HA 27 LYS HB+ 4.50 (# 2010:25 Preassigned 2.40, 2.74 A)
&rst
ixpk= 2010, nxpk= 25, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 422, 423,
&end
#
# 38 PRO HA 27 LYS HB+ 4.50 (# 2011:25 Preassigned 2.52, 3.20 A)
&rst
ixpk= 2011, nxpk= 25, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 422, 423,
&end
#
# 24 GLU HA 27 LYS HB+ 5.50 (# 2012:25 Preassigned 3.11, 3.94 A)
&rst
ixpk= 2012, nxpk= 25, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 422, 423,
&end
#
# 27 LYS HE+ 27 LYS HB+ 4.50 (# 2013:25 Preassigned 3.47, 4.28 A)
&rst
ixpk= 2013, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 431, 432,
igr2= 422, 423,
&end
#
# 38 PRO HB+ 27 LYS HB+ 4.50 (# 2014:25 Preassigned 1.92, 3.10 A)
&rst
ixpk= 2014, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 604, 605,
igr2= 422, 423,
&end
#
# 0 AMB 25-3:2015 0 AMB 25-1:2015 3.50 (# 2015:25 Double Ambig)
&rst
ixpk= 2015, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 428, 429, 425, 426,
igr2= 422, 423, 422, 423,
&end
#
# 0 AMB 25-3:2016 0 AMB 25-1:2016 4.50 (# 2016:25 Double Ambig)
&rst
ixpk= 2016, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 360, 361, 362, 690, 691, 692, 694, 695, 696,
igr2= 422, 423, 422, 423,
&end
#
# 32 ASP HB- 0 AMB 25-1:2017 5.50 (# 2017:25 Single Ambig)
&rst
ixpk= 2017, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 512, 513,
igr2= 524, 525, 498, 499,
&end
#
# 0 AMB 25-3:2018 0 AMB 25-1:2018 5.50 (# 2018:25 Double Ambig)
&rst
ixpk= 2018, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 512, 513, 512, 513,
igr2= 524, 525, 498, 499,
&end
#
# 0 AMB 25-3:2019 0 AMB 25-1:2019 4.50 (# 2019:25 Double Ambig)
&rst
ixpk= 2019, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 533, 534, 533, 534,
igr2= 524, 525, 524, 525,
&end
#
# 30 ILE HA 33 LYS HB+ 4.50 (# 2020:25 Preassigned 2.53, 3.45 A)
&rst
ixpk= 2020, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 524, 525,
&end
#
# 0 AMB 25-3:2021 0 AMB 25-1:2021 4.50 (# 2021:25 Double Ambig)
&rst
ixpk= 2021, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 607, 559, 560,
igr2= 422, 423, 498, 499,
&end
#
# 0 AMB 25-3:2022 0 AMB 25-1:2022 4.50 (# 2022:25 Double Ambig)
&rst
ixpk= 2022, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 593, 420,
igr2= 498, 499, 422, 423,
&end
#
# 28 ALA HN 27 LYS HB- 4.50 (# 2023:25 Preassigned 2.36, 2.97 A)
&rst
ixpk= 2023, nxpk= 25, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 422, 423,
&end
#
# 0 AMB 25-3:2024 0 AMB 25-1:2024 5.50 (# 2024:25 Double Ambig)
&rst
ixpk= 2024, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 508, 402,
igr2= 498, 499, 422, 423, 524, 525,
&end
#
# 27 LYS HN 27 LYS HB- 4.50 (# 2025:25 Preassigned 2.07, 3.07 A)
&rst
ixpk= 2025, nxpk= 25, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 422, 423,
&end
#
# 70 VAL HN 70 VAL HB 4.50 (# 2026:25 Preassigned 2.59, 2.95 A)
&rst
ixpk= 2026, nxpk= 25, iat=1116,1120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 LEU HB+ 15 LEU HG 3.50 (# 2027:25 Preassigned 2.80, 2.84 A)
&rst
ixpk= 2027, nxpk= 25, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 242, 243,
&end
#
# 15 LEU HA 15 LEU HG 4.50 (# 2028:25 Preassigned 3.60, 3.60 A)
&rst
ixpk= 2028, nxpk= 25, iat= 240, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 LYS HA 27 LYS HG- 4.50 (# 2029:25 Preassigned 2.11, 3.02 A)
&rst
ixpk= 2029, nxpk= 25, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 425, 426,
&end
#
# 0 AMB 25-3:2030 0 AMB 25-1:2030 4.50 (# 2030:25 Double Ambig)
&rst
ixpk= 2030, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 257, 402, 657,
igr2= 245, 425, 426,
&end
#
# 30 ILE HN 27 LYS HG- 7.00 (# 2031:25 Preassigned 5.43, 6.23 A)
&rst
ixpk= 2031, nxpk= 25, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 425, 426,
&end
#
# 15 LEU HN 15 LEU HG 4.50 (# 2032:25 Unique 2.61, 2.75 A)
&rst
ixpk= 2032, nxpk= 25, iat= 238, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 LYS HB- 27 LYS HG- 4.50 (# 2033:25 Preassigned 2.22, 2.70 A)
&rst
ixpk= 2033, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 422, 423,
igr2= 425, 426,
&end
#
# 29 LYS HN 29 LYS HG+ 4.50 (# 2034:25 Preassigned 1.92, 2.35 A)
&rst
ixpk= 2034, nxpk= 25, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 457, 458,
&end
#
# 29 LYS HA 29 LYS HG+ 3.50 (# 2035:25 Preassigned 2.70, 3.28 A)
&rst
ixpk= 2035, nxpk= 25, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 457, 458,
&end
#
# 26 VAL HA 29 LYS HG+ 5.50 (# 2036:25 Preassigned 2.07, 2.86 A)
&rst
ixpk= 2036, nxpk= 25, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 457, 458,
&end
#
# 29 LYS HE- 29 LYS HG+ 4.50 (# 2037:25 Preassigned 2.22, 2.93 A)
&rst
ixpk= 2037, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 463, 464,
igr2= 457, 458,
&end
#
# 29 LYS HB+ 29 LYS HG+ 4.50 (# 2038:25 Preassigned 2.21, 2.67 A)
&rst
ixpk= 2038, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 454, 455,
igr2= 457, 458,
&end
#
# 29 LYS HB- 29 LYS HG+ 3.50 (# 2039:25 Preassigned 2.21, 2.67 A)
&rst
ixpk= 2039, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 454, 455,
igr2= 457, 458,
&end
#
# 0 AMB 25-3:2040 0 AMB 25-1:2040 4.50 (# 2040:25 Double Ambig)
&rst
ixpk= 2040, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
252, 253, 278, 279, 280, 282, 283, 284,
igr2= 457, 458, 457, 458, 457, 458,
&end
#
# 27 LYS HA 27 LYS HD+ 5.50 (# 2041:25 Preassigned 3.65, 4.22 A)
&rst
ixpk= 2041, nxpk= 25, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 428, 429,
&end
#
# 38 PRO HA 27 LYS HD+ 5.50 (# 2042:25 Preassigned 2.74, 3.53 A)
&rst
ixpk= 2042, nxpk= 25, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 428, 429,
&end
#
# 24 GLU HA 27 LYS HD+ 5.50 (# 2043:25 Preassigned 3.35, 4.29 A)
&rst
ixpk= 2043, nxpk= 25, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 428, 429,
&end
#
# 0 AMB 25-3:2044 0 AMB 25-1:2044 5.50 (# 2044:25 Double Ambig)
&rst
ixpk= 2044, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1161,1162,1161,1162,
igr2= 428, 429, 428, 429,
&end
#
# 27 LYS HE+ 27 LYS HD+ 4.50 (# 2045:25 Preassigned 2.22, 2.69 A)
&rst
ixpk= 2045, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 431, 432,
igr2= 428, 429,
&end
#
# 38 PRO HB+ 27 LYS HD+ 5.50 (# 2046:25 Preassigned 3.61, 4.04 A)
&rst
ixpk= 2046, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 604, 605,
igr2= 428, 429,
&end
#
# 27 LYS HB- 27 LYS HD+ 4.50 (# 2047:25 Unique 1.95, 2.90 A)
&rst
ixpk= 2047, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 422, 423,
igr2= 428, 429,
&end
#
# 0 AMB 25-3:2048 0 AMB 25-1:2048 3.50 (# 2048:25 Double Ambig)
&rst
ixpk= 2048, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 664, 665, 664, 665, 799, 800, 688,
igr2= 428, 429, 428, 429, 428, 429, 428, 429,
&end
#
# 0 AMB 25-3:2049 0 AMB 25-1:2049 4.50 (# 2049:25 Double Ambig)
&rst
ixpk= 2049, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 360, 361, 362, 690, 691, 692, 694, 695, 696,
igr2= 428, 429, 428, 429,
&end
#
# 0 AMB 25-3:2050 27 LYS HE- 3.50 (# 2050:25 Single Ambig)
&rst
ixpk= 2050, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
695, 696, 360, 361, 362,
igr2= 431, 432,
&end
#
# 27 LYS HG- 27 LYS HE- 4.50 (# 2051:25 Preassigned 1.95, 3.04 A)
&rst
ixpk= 2051, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 425, 426,
igr2= 431, 432,
&end
#
# 0 AMB 25-3:2052 27 LYS HE- 3.50 (# 2052:25 Single Ambig)
&rst
ixpk= 2052, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 425, 426, 428, 429,
igr2= 431, 432,
&end
#
# 0 AMB 25-3:2053 27 LYS HE- 5.50 (# 2053:25 Single Ambig)
&rst
ixpk= 2053, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 422, 423, 482, 483,
igr2= 431, 432,
&end
#
# 0 AMB 25-3:2054 27 LYS HE- 4.50 (# 2054:25 Single Ambig)
&rst
ixpk= 2054, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 644, 645, 644, 645,1155,1156, 364, 365,
igr2= 431, 432,
&end
#
# 0 AMB 25-3:2055 27 LYS HE- 5.50 (# 2055:25 Single Ambig)
&rst
ixpk= 2055, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 607, 642,
igr2= 431, 432,
&end
#
# 0 AMB 25-3:2056 27 LYS HE- 5.50 (# 2056:25 Single Ambig)
&rst
ixpk= 2056, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 418,1151,
igr2= 431, 432,
&end
#
# 0 AMB 25-3:2057 0 AMB 25-1:2057 5.50 (# 2057:25 Double Ambig)
&rst
ixpk= 2057, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 418,1151,
igr2= 431, 432, 431, 432,
&end
#
# 43 LEU HN 27 LYS HE- 7.00 (# 2058:25 Preassigned 2.11, 2.81 A)
&rst
ixpk= 2058, nxpk= 25, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 431, 432,
&end
#
# 43 LEU HN 27 LYS HE+ 5.50 (# 2059:25 Preassigned 2.11, 2.81 A)
&rst
ixpk= 2059, nxpk= 25, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 431, 432,
&end
#
# 27 LYS HA 27 LYS HE+ 7.00 (# 2060:25 Preassigned 3.65, 4.17 A)
&rst
ixpk= 2060, nxpk= 25, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 431, 432,
&end
#
# 0 AMB 25-3:2061 0 AMB 25-1:2061 5.50 (# 2061:25 Double Ambig)
&rst
ixpk= 2061, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 607, 642,
igr2= 431, 432, 431, 432,
&end
#
# 24 GLU HA 27 LYS HE+ 7.00 (# 2062:25 Preassigned 5.22, 5.80 A)
&rst
ixpk= 2062, nxpk= 25, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 431, 432,
&end
#
# 0 AMB 25-3:2063 27 LYS HE- 5.50 (# 2063:25 Single Ambig)
&rst
ixpk= 2063, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 604, 605, 785, 786, 785, 786, 818, 819,
igr2= 431, 432,
&end
#
# 0 AMB 25-3:2064 0 AMB 25-1:2064 4.50 (# 2064:25 Double Ambig)
&rst
ixpk= 2064, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 422, 423, 482, 483,
igr2= 431, 432, 431, 432,
&end
#
# 0 AMB 25-3:2065 0 AMB 25-1:2065 4.50 (# 2065:25 Double Ambig)
&rst
ixpk= 2065, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1= 644, 645, 644, 645,1155,1156,1120,
igr2= 431, 432, 431, 432, 431, 432, 431, 432,
&end
#
# 0 AMB 25-3:2066 0 AMB 25-1:2066 3.50 (# 2066:25 Double Ambig)
&rst
ixpk= 2066, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 425, 426, 428, 429,
igr2= 431, 432, 431, 432,
&end
#
# 27 LYS HG- 27 LYS HE+ 4.50 (# 2067:25 Preassigned 1.95, 3.04 A)
&rst
ixpk= 2067, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 425, 426,
igr2= 431, 432,
&end
#
# 0 AMB 25-3:2068 0 AMB 25-1:2068 3.50 (# 2068:25 Double Ambig)
&rst
ixpk= 2068, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
695, 696, 360, 361, 362,
igr2= 431, 432, 431, 432, 431, 432,
&end
#
# 0 AMB 25-3:2069 28 ALA HA 5.50 (# 2069:25 Single Ambig)
&rst
ixpk= 2069, nxpk= 25, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 482, 483, 478, 479, 480,
&end
#
# 28 ALA QB 28 ALA HA 2.80 (# 2070:25 Unique 2.24, 2.63 A)
&rst
ixpk= 2070, nxpk= 25, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 444, 445, 446,
&end
#
# 38 PRO HB+ 28 ALA HA 4.50 (# 2071:25 Preassigned 3.60, 4.47 A)
&rst
ixpk= 2071, nxpk= 25, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 604, 605,
&end
#
# 32 ASP HB+ 28 ALA HA 5.50 (# 2072:25 Preassigned 5.53, 6.44 A)
&rst
ixpk= 2072, nxpk= 25, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 512, 513,
&end
#
# 0 AMB 25-3:2073 28 ALA HA 4.50 (# 2073:25 Single Ambig)
&rst
ixpk= 2073, nxpk= 25, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 598, 599, 598, 599,
&end
#
# 0 AMB 25-3:2074 28 ALA HA 4.50 (# 2074:25 Single Ambig)
&rst
ixpk= 2074, nxpk= 25, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 593, 420, 390,
&end
#
# 41 GLN HE2+ 28 ALA HA 5.50 (# 2075:25 Preassigned 3.96, 4.41 A)
&rst
ixpk= 2075, nxpk= 25, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 652, 653,
&end
#
# 41 GLN HE2- 28 ALA HA 5.50 (# 2076:25 Preassigned 3.96, 4.41 A)
&rst
ixpk= 2076, nxpk= 25, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 652, 653,
&end
#
# 31 GLN HE2+ 28 ALA HA 5.50 (# 2077:25 Preassigned 5.06, 5.29 A)
&rst
ixpk= 2077, nxpk= 25, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 503, 504,
&end
#
# 32 ASP HN 28 ALA HA 4.50 (# 2078:25 Preassigned 4.72, 4.77 A)
&rst
ixpk= 2078, nxpk= 25, iat= 508, 442, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ILE HN 28 ALA HA 5.50 (# 2079:25 Preassigned 4.39, 4.44 A)
&rst
ixpk= 2079, nxpk= 25, iat= 472, 442, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 ASP HN 29 LYS HA 4.50 (# 2080:25 Preassigned 3.40, 3.42 A)
&rst
ixpk= 2080, nxpk= 25, iat= 508, 452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 LEU HA 0 AMB 25-1:2081 7.00 (# 2081:25 Single Ambig)
&rst
ixpk= 2081, nxpk= 25, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 40, 452,
&end
#
# 29 LYS HE- 29 LYS HA 4.50 (# 2082:25 Preassigned 4.29, 5.04 A)
&rst
ixpk= 2082, nxpk= 25, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 463, 464,
&end
#
# 32 ASP HB- 29 LYS HA 4.50 (# 2083:25 Preassigned 2.98, 3.54 A)
&rst
ixpk= 2083, nxpk= 25, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 512, 513,
&end
#
# 0 AMB 25-3:2084 0 AMB 25-1:2084 5.50 (# 2084:25 Double Ambig)
&rst
ixpk= 2084, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 495, 496,1025,1026,
igr2= 452, 40,
&end
#
# 29 LYS HD- 29 LYS HA 4.50 (# 2085:25 Preassigned 2.96, 3.67 A)
&rst
ixpk= 2085, nxpk= 25, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 460, 461,
&end
#
# 0 AMB 25-3:2086 0 AMB 25-1:2086 4.50 (# 2086:25 Double Ambig)
&rst
ixpk= 2086, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.60, r4=10.10,
igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
252, 253, 83, 84, 85, 87, 88, 89, 83, 84,
85, 87, 88, 89, 278, 279, 280, 282, 283, 284,
482, 483, 247, 248, 249, 251, 252, 253, 895, 896,
897, 899, 900, 901, 218, 219, 220,
igr2= 452, 40,
&end
#
# 63 LYS HA 1 MET HB+ 4.50 (# 2087:25 Unique 2.63, 3.39 A)
&rst
ixpk= 2087, nxpk= 25, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 8, 9,
&end
#
# 0 AMB 25-3:2088 29 LYS HB- 3.50 (# 2088:25 Single Ambig)
&rst
ixpk= 2088, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
252, 253,
igr2= 454, 455,
&end
#
# 30 ILE QD1 29 LYS HB- 5.50 (# 2089:25 Preassigned 2.04, 3.75 A)
&rst
ixpk= 2089, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 485, 486, 487,
igr2= 454, 455,
&end
#
# 26 VAL QG+ 29 LYS HB- 4.50 (# 2090:25 Preassigned 3.92, 6.07 A)
&rst
ixpk= 2090, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 408, 409, 410, 412, 413, 414,
igr2= 454, 455,
&end
#
# 29 LYS HG+ 29 LYS HB- 3.50 (# 2091:25 Preassigned 2.21, 2.67 A)
&rst
ixpk= 2091, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 457, 458,
igr2= 454, 455,
&end
#
# 0 AMB 25-3:2092 29 LYS HB- 4.50 (# 2092:25 Single Ambig)
&rst
ixpk= 2092, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 460, 461, 457, 458,
igr2= 454, 455,
&end
#
# 32 ASP HB+ 29 LYS HB- 5.50 (# 2093:25 Preassigned 4.92, 5.66 A)
&rst
ixpk= 2093, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 512, 513,
igr2= 454, 455,
&end
#
# 0 AMB 25-3:2094 29 LYS HB- 5.50 (# 2094:25 Single Ambig)
&rst
ixpk= 2094, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 533, 534, 533, 534, 463, 464,
igr2= 454, 455,
&end
#
# 26 VAL HA 29 LYS HB- 4.50 (# 2095:25 Preassigned 3.27, 3.99 A)
&rst
ixpk= 2095, nxpk= 25, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 454, 455,
&end
#
# 30 ILE HA 29 LYS HB- 7.00 (# 2096:25 Preassigned 4.02, 4.35 A)
&rst
ixpk= 2096, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 454, 455,
&end
#
# 29 LYS HA 29 LYS HB- 4.50 (# 2097:25 Preassigned 2.36, 2.69 A)
&rst
ixpk= 2097, nxpk= 25, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 454, 455,
&end
#
# 0 AMB 25-3:2098 29 LYS HB- 5.50 (# 2098:25 Single Ambig)
&rst
ixpk= 2098, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 508, 402, 257,
igr2= 454, 455,
&end
#
# 30 ILE HN 29 LYS HB- 4.50 (# 2099:25 Preassigned 2.49, 3.17 A)
&rst
ixpk= 2099, nxpk= 25, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 454, 455,
&end
#
# 30 ILE HN 29 LYS HG- 5.50 (# 2100:25 Preassigned 4.09, 4.20 A)
&rst
ixpk= 2100, nxpk= 25, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 457, 458,
&end
#
# 0 AMB 25-3:2101 29 LYS HG- 5.50 (# 2101:25 Single Ambig)
&rst
ixpk= 2101, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 402, 508,
igr2= 457, 458,
&end
#
# 29 LYS HN 29 LYS HG- 4.50 (# 2102:25 Preassigned 1.92, 2.35 A)
&rst
ixpk= 2102, nxpk= 25, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 457, 458,
&end
#
# 29 LYS HA 29 LYS HG- 4.50 (# 2103:25 Preassigned 2.70, 3.28 A)
&rst
ixpk= 2103, nxpk= 25, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 457, 458,
&end
#
# 26 VAL HA 29 LYS HG- 5.50 (# 2104:25 Preassigned 2.07, 2.86 A)
&rst
ixpk= 2104, nxpk= 25, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 457, 458,
&end
#
# 29 LYS HE+ 29 LYS HG- 4.50 (# 2105:25 Preassigned 2.22, 2.93 A)
&rst
ixpk= 2105, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 463, 464,
igr2= 457, 458,
&end
#
# 29 LYS HE- 29 LYS HG- 4.50 (# 2106:25 Preassigned 2.22, 2.93 A)
&rst
ixpk= 2106, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 463, 464,
igr2= 457, 458,
&end
#
# 0 AMB 25-3:2107 29 LYS HG- 5.50 (# 2107:25 Single Ambig)
&rst
ixpk= 2107, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 392, 393, 512, 513,
igr2= 457, 458,
&end
#
# 29 LYS HB+ 29 LYS HG- 4.50 (# 2108:25 Preassigned 2.21, 2.67 A)
&rst
ixpk= 2108, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 454, 455,
igr2= 457, 458,
&end
#
# 29 LYS HB- 29 LYS HG- 3.50 (# 2109:25 Preassigned 2.21, 2.67 A)
&rst
ixpk= 2109, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 454, 455,
igr2= 457, 458,
&end
#
# 29 LYS HD- 29 LYS HG- 3.50 (# 2110:25 Preassigned 2.34, 2.73 A)
&rst
ixpk= 2110, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 460, 461,
igr2= 457, 458,
&end
#
# 15 LEU HB+ 29 LYS HG- 5.50 (# 2111:25 Preassigned 4.84, 5.88 A)
&rst
ixpk= 2111, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 242, 243,
igr2= 457, 458,
&end
#
# 26 VAL QG+ 29 LYS HG- 7.00 (# 2112:25 Preassigned 3.92, 5.58 A)
&rst
ixpk= 2112, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 408, 409, 410, 412, 413, 414,
igr2= 457, 458,
&end
#
# 0 AMB 25-3:2113 29 LYS HG- 4.50 (# 2113:25 Single Ambig)
&rst
ixpk= 2113, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
252, 253, 278, 279, 280, 282, 283, 284,
igr2= 457, 458,
&end
#
# 0 AMB 25-3:2114 67 LEU HG 4.50 (# 2114:25 Single Ambig)
&rst
ixpk= 2114, nxpk= 25, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 976, 977, 978, 969, 970, 971,
&end
#
# 0 AMB 25-3:2115 0 AMB 25-1:2115 2.80 (# 2115:25 Double Ambig)
&rst
ixpk= 2115, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
1075,1076, 247, 248, 249, 251, 252, 253, 278, 279,
280, 282, 283, 284,
igr2=1068, 460, 461, 460, 461,
&end
#
# 0 AMB 25-3:2116 0 AMB 25-1:2116 5.50 (# 2116:25 Double Ambig)
&rst
ixpk= 2116, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 685, 686, 242, 243,
igr2=1068, 460, 461,
&end
#
# 29 LYS HG+ 29 LYS HD+ 3.50 (# 2117:25 Preassigned 2.34, 2.73 A)
&rst
ixpk= 2117, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 457, 458,
igr2= 460, 461,
&end
#
# 29 LYS HB+ 29 LYS HD+ 4.50 (# 2118:25 Preassigned 2.19, 2.94 A)
&rst
ixpk= 2118, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 454, 455,
igr2= 460, 461,
&end
#
# 29 LYS HE- 29 LYS HD+ 4.50 (# 2119:25 Preassigned 2.22, 2.68 A)
&rst
ixpk= 2119, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 463, 464,
igr2= 460, 461,
&end
#
# 29 LYS HE+ 29 LYS HD+ 4.50 (# 2120:25 Preassigned 2.22, 2.68 A)
&rst
ixpk= 2120, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 463, 464,
igr2= 460, 461,
&end
#
# 26 VAL HA 29 LYS HD+ 5.50 (# 2121:25 Preassigned 3.98, 4.74 A)
&rst
ixpk= 2121, nxpk= 25, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 460, 461,
&end
#
# 29 LYS HA 29 LYS HD+ 4.50 (# 2122:25 Preassigned 2.96, 3.67 A)
&rst
ixpk= 2122, nxpk= 25, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 460, 461,
&end
#
# 67 LEU HA 67 LEU HG 4.50 (# 2123:25 Preassigned 2.64, 2.69 A)
&rst
ixpk= 2123, nxpk= 25, iat=1063,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 LYS HN 29 LYS HD+ 4.50 (# 2124:25 Preassigned 4.13, 4.41 A)
&rst
ixpk= 2124, nxpk= 25, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 460, 461,
&end
#
# 68 HIS HN 67 LEU HG 4.50 (# 2125:25 Preassigned 2.10, 2.25 A)
&rst
ixpk= 2125, nxpk= 25, iat=1080,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 LEU HN 67 LEU HG 4.50 (# 2126:25 Preassigned 4.60, 4.63 A)
&rst
ixpk= 2126, nxpk= 25, iat=1061,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ILE HN 29 LYS HD- 5.50 (# 2127:25 Preassigned 5.55, 5.69 A)
&rst
ixpk= 2127, nxpk= 25, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 460, 461,
&end
#
# 0 AMB 25-3:2128 29 LYS HD- 5.50 (# 2128:25 Single Ambig)
&rst
ixpk= 2128, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 257, 508, 402,
igr2= 460, 461,
&end
#
# 29 LYS HN 29 LYS HD- 4.50 (# 2129:25 Preassigned 4.13, 4.41 A)
&rst
ixpk= 2129, nxpk= 25, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 460, 461,
&end
#
# 15 LEU HA 29 LYS HD- 5.50 (# 2130:25 Preassigned 5.67, 6.14 A)
&rst
ixpk= 2130, nxpk= 25, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 460, 461,
&end
#
# 17 VAL HA 29 LYS HD- 5.50 (# 2131:25 Preassigned 4.81, 5.65 A)
&rst
ixpk= 2131, nxpk= 25, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 460, 461,
&end
#
# 29 LYS HA 29 LYS HD- 4.50 (# 2132:25 Preassigned 2.96, 3.67 A)
&rst
ixpk= 2132, nxpk= 25, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 460, 461,
&end
#
# 26 VAL HA 29 LYS HD- 4.50 (# 2133:25 Preassigned 3.98, 4.74 A)
&rst
ixpk= 2133, nxpk= 25, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 460, 461,
&end
#
# 29 LYS HE+ 29 LYS HD- 3.50 (# 2134:25 Preassigned 2.22, 2.68 A)
&rst
ixpk= 2134, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 463, 464,
igr2= 460, 461,
&end
#
# 29 LYS HE- 29 LYS HD- 4.50 (# 2135:25 Preassigned 2.22, 2.68 A)
&rst
ixpk= 2135, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 463, 464,
igr2= 460, 461,
&end
#
# 0 AMB 25-3:2136 29 LYS HD- 5.50 (# 2136:25 Single Ambig)
&rst
ixpk= 2136, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 276, 406,
igr2= 460, 461,
&end
#
# 29 LYS HB+ 29 LYS HD- 4.50 (# 2137:25 Preassigned 2.19, 2.94 A)
&rst
ixpk= 2137, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 454, 455,
igr2= 460, 461,
&end
#
# 29 LYS HB- 29 LYS HD- 4.50 (# 2138:25 Preassigned 2.19, 2.94 A)
&rst
ixpk= 2138, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 454, 455,
igr2= 460, 461,
&end
#
# 29 LYS HG+ 29 LYS HD- 3.50 (# 2139:25 Preassigned 2.34, 2.73 A)
&rst
ixpk= 2139, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 457, 458,
igr2= 460, 461,
&end
#
# 26 VAL QG+ 29 LYS HD- 4.50 (# 2140:25 Preassigned 5.09, 7.04 A)
&rst
ixpk= 2140, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 408, 409, 410, 412, 413, 414,
igr2= 460, 461,
&end
#
# 0 AMB 25-3:2141 29 LYS HD- 3.50 (# 2141:25 Single Ambig)
&rst
ixpk= 2141, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 247, 248, 249, 251, 252, 253, 278, 279, 280, 282,
283, 284,
igr2= 460, 461,
&end
#
# 17 VAL QG+ 29 LYS HD- 7.00 (# 2142:25 Preassigned 2.53, 5.00 A)
&rst
ixpk= 2142, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 460, 461,
&end
#
# 13 ILE QG2 0 AMB 25-1:2143 4.50 (# 2143:25 Single Ambig)
&rst
ixpk= 2143, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 211, 212, 213,
igr2= 533, 534, 533, 534,
&end
#
# 0 AMB 25-3:2144 0 AMB 25-1:2144 5.50 (# 2144:25 Double Ambig)
&rst
ixpk= 2144, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 524, 525, 524, 525,
igr2= 533, 534, 533, 534,
&end
#
# 30 ILE HA 0 AMB 25-1:2145 5.50 (# 2145:25 Single Ambig)
&rst
ixpk= 2145, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 533, 534, 533, 534,
&end
#
# 14 THR HB 0 AMB 25-1:2146 5.50 (# 2146:25 Single Ambig)
&rst
ixpk= 2146, nxpk= 25, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 533, 534, 533, 534,
&end
#
# 33 LYS HA 0 AMB 25-1:2147 5.50 (# 2147:25 Single Ambig)
&rst
ixpk= 2147, nxpk= 25, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 533, 534, 533, 534,
&end
#
# 15 LEU HA 0 AMB 25-1:2148 5.50 (# 2148:25 Single Ambig)
&rst
ixpk= 2148, nxpk= 25, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 533, 534, 533, 534,
&end
#
# 18 GLU HN 29 LYS HE- 5.50 (# 2149:25 Preassigned 5.51, 6.31 A)
&rst
ixpk= 2149, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 463, 464,
&end
#
# 0 AMB 25-3:2150 29 LYS HE- 5.50 (# 2150:25 Single Ambig)
&rst
ixpk= 2150, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 402, 257,
igr2= 463, 464,
&end
#
# 29 LYS HN 29 LYS HE- 4.50 (# 2151:25 Unique 4.04, 4.70 A)
&rst
ixpk= 2151, nxpk= 25, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 463, 464,
&end
#
# 17 VAL HA 29 LYS HE- 5.50 (# 2153:25 Preassigned 4.10, 5.27 A)
&rst
ixpk= 2153, nxpk= 25, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 463, 464,
&end
#
# 29 LYS HA 29 LYS HE- 5.50 (# 2154:25 Preassigned 4.29, 5.04 A)
&rst
ixpk= 2154, nxpk= 25, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 463, 464,
&end
#
# 26 VAL HA 29 LYS HE- 4.50 (# 2155:25 Preassigned 3.93, 4.54 A)
&rst
ixpk= 2155, nxpk= 25, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 463, 464,
&end
#
# 25 ASN HB- 29 LYS HE- 7.00 (# 2156:25 Preassigned 3.29, 4.96 A)
&rst
ixpk= 2156, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 392, 393,
igr2= 463, 464,
&end
#
# 0 AMB 25-3:2157 29 LYS HE- 5.50 (# 2157:25 Single Ambig)
&rst
ixpk= 2157, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 276, 295, 296, 406,
igr2= 463, 464,
&end
#
# 29 LYS HB+ 29 LYS HE- 4.50 (# 2158:25 Unique 4.27, 4.62 A)
&rst
ixpk= 2158, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 454, 455,
igr2= 463, 464,
&end
#
# 29 LYS HB- 29 LYS HE- 4.50 (# 2159:25 Unique 4.27, 4.62 A)
&rst
ixpk= 2159, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 454, 455,
igr2= 463, 464,
&end
#
# 26 VAL QG+ 29 LYS HE- 5.50 (# 2160:25 Preassigned 5.00, 6.94 A)
&rst
ixpk= 2160, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 408, 409, 410, 412, 413, 414,
igr2= 463, 464,
&end
#
# 0 AMB 25-3:2161 30 ILE HA 5.50 (# 2161:25 Single Ambig)
&rst
ixpk= 2161, nxpk= 25, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 568, 460, 461, 245, 422, 423,
&end
#
# 0 AMB 25-3:2162 30 ILE HA 4.50 (# 2162:25 Single Ambig)
&rst
ixpk= 2162, nxpk= 25, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 527, 528, 527, 528,
&end
#
# 33 LYS HB- 30 ILE HA 3.50 (# 2163:25 Unique 2.53, 3.45 A)
&rst
ixpk= 2163, nxpk= 25, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 524, 525,
&end
#
# 30 ILE HB 30 ILE HA 4.50 (# 2164:25 Preassigned 3.01, 3.01 A)
&rst
ixpk= 2164, nxpk= 25, iat= 476, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2165 30 ILE HA 5.50 (# 2165:25 Single Ambig)
&rst
ixpk= 2165, nxpk= 25, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 452, 442,
&end
#
# 0 AMB 25-3:2166 30 ILE HA 5.50 (# 2166:25 Single Ambig)
&rst
ixpk= 2166, nxpk= 25, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 522, 510,
&end
#
# 27 LYS HA 30 ILE HA 5.50 (# 2167:25 Preassigned 5.37, 5.46 A)
&rst
ixpk= 2167, nxpk= 25, iat= 420, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 GLN HE2- 30 ILE HA 5.50 (# 2168:25 Preassigned 4.39, 5.23 A)
&rst
ixpk= 2168, nxpk= 25, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 652, 653,
&end
#
# 33 LYS HN 30 ILE HA 4.50 (# 2169:25 Preassigned 3.21, 3.24 A)
&rst
ixpk= 2169, nxpk= 25, iat= 520, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 LYS HN 30 ILE HA 5.50 (# 2170:25 Preassigned 5.33, 5.35 A)
&rst
ixpk= 2170, nxpk= 25, iat= 450, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 ASP HN 30 ILE HA 5.50 (# 2171:25 Preassigned 4.12, 4.15 A)
&rst
ixpk= 2171, nxpk= 25, iat= 508, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 GLN HN 30 ILE HA 4.50 (# 2172:25 Preassigned 3.50, 3.51 A)
&rst
ixpk= 2172, nxpk= 25, iat= 491, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 GLU HN 30 ILE HA 4.50 (# 2173:25 Preassigned 3.75, 3.77 A)
&rst
ixpk= 2173, nxpk= 25, iat= 542, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 GLN HN 30 ILE HB 4.50 (# 2174:25 Preassigned 2.76, 2.78 A)
&rst
ixpk= 2174, nxpk= 25, iat= 491, 476, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ILE HN 30 ILE HB 3.50 (# 2175:25 Preassigned 2.72, 2.75 A)
&rst
ixpk= 2175, nxpk= 25, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 ASN HN 0 AMB 25-1:2176 4.50 (# 2176:25 Single Ambig)
&rst
ixpk= 2176, nxpk= 25, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 380, 381, 380, 381,
&end
#
# 41 GLN HE2- 30 ILE HB 4.50 (# 2177:25 Preassigned 1.93, 2.53 A)
&rst
ixpk= 2177, nxpk= 25, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 652, 653,
&end
#
# 41 GLN HE2+ 30 ILE HB 4.50 (# 2178:25 Preassigned 1.93, 2.53 A)
&rst
ixpk= 2178, nxpk= 25, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 652, 653,
&end
#
# 24 GLU HA 0 AMB 25-1:2179 4.50 (# 2179:25 Single Ambig)
&rst
ixpk= 2179, nxpk= 25, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 380, 381, 380, 381,
&end
#
# 30 ILE QD1 30 ILE HB 3.50 (# 2180:25 Preassigned 3.60, 3.86 A)
&rst
ixpk= 2180, nxpk= 25, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 485, 486, 487,
&end
#
# 30 ILE QD1 30 ILE HG1- 3.50 (# 2181:25 Preassigned 2.25, 2.62 A)
&rst
ixpk= 2181, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 485, 486, 487,
igr2= 482, 483,
&end
#
# 0 AMB 25-3:2182 30 ILE HG1- 5.50 (# 2182:25 Single Ambig)
&rst
ixpk= 2182, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 425, 426, 457, 458, 428, 429, 527, 528,
igr2= 482, 483,
&end
#
# 30 ILE HB 30 ILE HG1- 4.50 (# 2183:25 Preassigned 2.29, 2.48 A)
&rst
ixpk= 2183, nxpk= 25, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 482, 483,
&end
#
# 30 ILE HA 30 ILE HG1- 4.50 (# 2184:25 Preassigned 3.53, 3.58 A)
&rst
ixpk= 2184, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 482, 483,
&end
#
# 41 GLN HE2- 30 ILE HG1- 7.00 (# 2185:25 Preassigned 3.32, 4.45 A)
&rst
ixpk= 2185, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 652, 653,
igr2= 482, 483,
&end
#
# 0 AMB 25-3:2186 30 ILE HG1- 5.50 (# 2186:25 Single Ambig)
&rst
ixpk= 2186, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 450, 440,
igr2= 482, 483,
&end
#
# 30 ILE HN 30 ILE HG1- 4.50 (# 2187:25 Preassigned 2.13, 2.86 A)
&rst
ixpk= 2187, nxpk= 25, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 482, 483,
&end
#
# 0 AMB 25-3:2188 30 ILE HG1- 5.50 (# 2188:25 Single Ambig)
&rst
ixpk= 2188, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 491, 418,
igr2= 482, 483,
&end
#
# 0 AMB 25-3:2189 0 AMB 25-1:2189 5.50 (# 2189:25 Double Ambig)
&rst
ixpk= 2189, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 491, 418,
igr2= 482, 483, 482, 483,
&end
#
# 30 ILE HN 30 ILE HG1+ 4.50 (# 2190:25 Preassigned 2.13, 2.86 A)
&rst
ixpk= 2190, nxpk= 25, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 482, 483,
&end
#
# 29 LYS HN 30 ILE HG1+ 4.50 (# 2191:25 Preassigned 4.19, 5.10 A)
&rst
ixpk= 2191, nxpk= 25, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 482, 483,
&end
#
# 41 GLN HE2- 30 ILE HG1+ 5.50 (# 2192:25 Preassigned 3.32, 4.45 A)
&rst
ixpk= 2192, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 652, 653,
igr2= 482, 483,
&end
#
# 27 LYS HA 30 ILE HG1+ 5.50 (# 2193:25 Preassigned 2.10, 2.81 A)
&rst
ixpk= 2193, nxpk= 25, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 482, 483,
&end
#
# 30 ILE HA 30 ILE HG1+ 4.50 (# 2194:25 Preassigned 3.53, 3.58 A)
&rst
ixpk= 2194, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 482, 483,
&end
#
# 30 ILE HB 30 ILE HG1+ 4.50 (# 2195:25 Preassigned 2.29, 2.48 A)
&rst
ixpk= 2195, nxpk= 25, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 482, 483,
&end
#
# 34 GLU HG- 30 ILE HG1+ 4.50 (# 2196:25 Preassigned 4.92, 5.71 A)
&rst
ixpk= 2196, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 549, 550,
igr2= 482, 483,
&end
#
# 30 ILE QD1 30 ILE HG1+ 3.50 (# 2197:25 Preassigned 2.25, 2.62 A)
&rst
ixpk= 2197, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 485, 486, 487,
igr2= 482, 483,
&end
#
# 27 LYS HE+ 30 ILE QD1 7.00 (# 2198:25 Preassigned 6.86, 7.92 A)
&rst
ixpk= 2198, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 431, 432,
igr2= 485, 486, 487,
&end
#
# 30 ILE HA 30 ILE QD1 4.50 (# 2199:25 Preassigned 1.93, 2.81 A)
&rst
ixpk= 2199, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 485, 486, 487,
&end
#
# 31 GLN HA 30 ILE QD1 7.00 (# 2200:25 Preassigned 6.53, 7.07 A)
&rst
ixpk= 2200, nxpk= 25, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 485, 486, 487,
&end
#
# 28 ALA HA 30 ILE QD1 7.00 (# 2201:25 Unique 6.39, 7.24 A)
&rst
ixpk= 2201, nxpk= 25, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 485, 486, 487,
&end
#
# 5 VAL HA 30 ILE QD1 5.50 (# 2202:25 Preassigned 5.49, 6.38 A)
&rst
ixpk= 2202, nxpk= 25, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 485, 486, 487,
&end
#
# 69 LEU HA 30 ILE QD1 5.50 (# 2203:25 Preassigned 6.32, 6.86 A)
&rst
ixpk= 2203, nxpk= 25, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 485, 486, 487,
&end
#
# 41 GLN HE2+ 30 ILE QD1 5.50 (# 2204:25 Preassigned 5.08, 6.14 A)
&rst
ixpk= 2204, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 652, 653,
igr2= 485, 486, 487,
&end
#
# 41 GLN HE2- 30 ILE QD1 5.50 (# 2205:25 Preassigned 5.08, 6.14 A)
&rst
ixpk= 2205, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 652, 653,
igr2= 485, 486, 487,
&end
#
# 29 LYS HN 30 ILE QD1 4.50 (# 2206:25 Unique 3.91, 5.00 A)
&rst
ixpk= 2206, nxpk= 25, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 485, 486, 487,
&end
#
# 0 AMB 25-3:2207 30 ILE QD1 5.50 (# 2207:25 Single Ambig)
&rst
ixpk= 2207, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 508, 402,
igr2= 485, 486, 487,
&end
#
# 34 GLU HN 31 GLN HA 4.50 (# 2209:25 Preassigned 3.37, 3.38 A)
&rst
ixpk= 2209, nxpk= 25, iat= 542, 493, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ILE HN 31 GLN HA 5.50 (# 2210:25 Preassigned 5.24, 5.27 A)
&rst
ixpk= 2210, nxpk= 25, iat= 472, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 ASP HN 31 GLN HA 4.50 (# 2211:25 Preassigned 3.50, 3.50 A)
&rst
ixpk= 2211, nxpk= 25, iat= 508, 493, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 LYS HN 31 GLN HA 5.50 (# 2212:25 Preassigned 3.95, 3.97 A)
&rst
ixpk= 2212, nxpk= 25, iat= 520, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 GLN HE2+ 31 GLN HA 5.50 (# 2213:25 Preassigned 5.18, 5.64 A)
&rst
ixpk= 2213, nxpk= 25, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 503, 504,
&end
#
# 31 GLN HE2- 31 GLN HA 5.50 (# 2214:25 Preassigned 5.18, 5.64 A)
&rst
ixpk= 2214, nxpk= 25, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 503, 504,
&end
#
# 41 GLN HE2- 31 GLN HA 5.50 (# 2215:25 Preassigned 3.00, 3.81 A)
&rst
ixpk= 2215, nxpk= 25, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 652, 653,
&end
#
# 0 AMB 25-3:2216 31 GLN HA 5.50 (# 2216:25 Single Ambig)
&rst
ixpk= 2216, nxpk= 25, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 593, 544,
&end
#
# 36 ILE HA 31 GLN HA 5.50 (# 2217:25 Preassigned 4.19, 4.21 A)
&rst
ixpk= 2217, nxpk= 25, iat= 566, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2218 31 GLN HA 4.50 (# 2218:25 Single Ambig)
&rst
ixpk= 2218, nxpk= 25, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 559, 560, 442,
&end
#
# 30 ILE HA 31 GLN HA 5.50 (# 2219:25 Preassigned 4.78, 4.78 A)
&rst
ixpk= 2219, nxpk= 25, iat= 474, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 GLN HB+ 31 GLN HA 3.50 (# 2220:25 Preassigned 2.44, 2.74 A)
&rst
ixpk= 2220, nxpk= 25, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 495, 496,
&end
#
# 0 AMB 25-3:2221 31 GLN HA 5.50 (# 2221:25 Single Ambig)
&rst
ixpk= 2221, nxpk= 25, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 527, 528, 527, 528, 444, 445, 446, 601, 602,
&end
#
# 0 AMB 25-3:2222 31 GLN HA 4.50 (# 2222:25 Single Ambig)
&rst
ixpk= 2222, nxpk= 25, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 568, 574, 575,
&end
#
# 36 ILE HG1+ 31 GLN HA 5.50 (# 2223:25 Preassigned 4.42, 5.05 A)
&rst
ixpk= 2223, nxpk= 25, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 574, 575,
&end
#
# 0 AMB 25-3:2224 31 GLN HA 5.50 (# 2224:25 Single Ambig)
&rst
ixpk= 2224, nxpk= 25, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 570, 571, 572, 485, 486, 487,
&end
#
# 30 ILE QG2 31 GLN HA 4.50 (# 2225:25 Preassigned 4.04, 5.02 A)
&rst
ixpk= 2225, nxpk= 25, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 478, 479, 480,
&end
#
# 30 ILE QG2 31 GLN HB+ 7.00 (# 2226:25 Preassigned 5.34, 6.56 A)
&rst
ixpk= 2226, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 478, 479, 480,
igr2= 495, 496,
&end
#
# 38 PRO HG- 31 GLN HB+ 5.50 (# 2227:25 Preassigned 5.08, 5.86 A)
&rst
ixpk= 2227, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 601, 602,
igr2= 495, 496,
&end
#
# 31 GLN HG- 31 GLN HB+ 3.50 (# 2228:25 Preassigned 2.21, 2.68 A)
&rst
ixpk= 2228, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 498, 499,
igr2= 495, 496,
&end
#
# 31 GLN HA 31 GLN HB+ 4.50 (# 2229:25 Preassigned 2.44, 2.74 A)
&rst
ixpk= 2229, nxpk= 25, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 495, 496,
&end
#
# 28 ALA HA 31 GLN HB+ 4.50 (# 2230:25 Preassigned 2.96, 3.20 A)
&rst
ixpk= 2230, nxpk= 25, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 495, 496,
&end
#
# 32 ASP HA 31 GLN HB+ 7.00 (# 2231:25 Preassigned 4.36, 5.03 A)
&rst
ixpk= 2231, nxpk= 25, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 495, 496,
&end
#
# 37 PRO HA 31 GLN HB+ 5.50 (# 2232:25 Preassigned 2.71, 3.35 A)
&rst
ixpk= 2232, nxpk= 25, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 495, 496,
&end
#
# 41 GLN HE2- 31 GLN HB+ 7.00 (# 2233:25 Preassigned 2.56, 3.70 A)
&rst
ixpk= 2233, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 652, 653,
igr2= 495, 496,
&end
#
# 31 GLN HE2- 31 GLN HB+ 7.00 (# 2234:25 Preassigned 3.60, 4.03 A)
&rst
ixpk= 2234, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 503, 504,
igr2= 495, 496,
&end
#
# 31 GLN HE2+ 31 GLN HB+ 5.50 (# 2235:25 Preassigned 3.60, 4.03 A)
&rst
ixpk= 2235, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 503, 504,
igr2= 495, 496,
&end
#
# 32 ASP HN 31 GLN HB+ 4.50 (# 2236:25 Preassigned 2.78, 3.39 A)
&rst
ixpk= 2236, nxpk= 25, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 495, 496,
&end
#
# 31 GLN HN 31 GLN HB+ 4.50 (# 2237:25 Preassigned 2.48, 2.53 A)
&rst
ixpk= 2237, nxpk= 25, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 495, 496,
&end
#
# 50 LEU QD- 23 ILE HG1+ 7.00 (# 2238:25 Preassigned 2.60, 5.13 A)
&rst
ixpk= 2238, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 364, 365,
&end
#
# 35 GLY HN 0 AMB 25-1:2239 4.50 (# 2239:25 Single Ambig)
&rst
ixpk= 2239, nxpk= 25, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 546, 547, 498, 499,
&end
#
# 32 ASP HN 31 GLN HG- 4.50 (# 2240:25 Preassigned 4.16, 4.67 A)
&rst
ixpk= 2240, nxpk= 25, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 498, 499,
&end
#
# 62 GLN HN 62 GLN HG- 3.50 (# 2241:25 Unique 2.36, 3.24 A)
&rst
ixpk= 2241, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 989, 990,
&end
#
# 0 AMB 25-3:2242 0 AMB 25-1:2242 5.50 (# 2242:25 Double Ambig)
&rst
ixpk= 2242, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 520, 731,
igr2= 546, 547, 989, 990,
&end
#
# 31 GLN HE2- 31 GLN HG- 4.50 (# 2243:25 Preassigned 2.12, 3.21 A)
&rst
ixpk= 2243, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 503, 504,
igr2= 498, 499,
&end
#
# 36 ILE HN 31 GLN HG- 5.50 (# 2244:25 Preassigned 3.34, 3.74 A)
&rst
ixpk= 2244, nxpk= 25, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 498, 499,
&end
#
# 62 GLN HA 62 GLN HG+ 4.50 (# 2245:25 Preassigned 2.62, 3.21 A)
&rst
ixpk= 2245, nxpk= 25, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 989, 990,
&end
#
# 32 ASP HA 31 GLN HG- 4.50 (# 2246:25 Preassigned 4.12, 4.94 A)
&rst
ixpk= 2246, nxpk= 25, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 498, 499,
&end
#
# 35 GLY HA- 31 GLN HG- 4.50 (# 2247:25 Preassigned 2.90, 4.49 A)
&rst
ixpk= 2247, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 559, 560,
igr2= 498, 499,
&end
#
# 31 GLN HA 31 GLN HG- 3.50 (# 2248:25 Preassigned 2.50, 2.87 A)
&rst
ixpk= 2248, nxpk= 25, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 498, 499,
&end
#
# 37 PRO HD- 31 GLN HG- 7.00 (# 2249:25 Preassigned 3.51, 4.49 A)
&rst
ixpk= 2249, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 584, 585,
igr2= 498, 499,
&end
#
# 0 AMB 25-3:2250 0 AMB 25-1:2250 5.50 (# 2250:25 Double Ambig)
&rst
ixpk= 2250, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 292, 293, 527, 528, 527, 528,
igr2= 319, 510,
&end
#
# 0 AMB 25-3:2251 0 AMB 25-1:2251 5.50 (# 2251:25 Double Ambig)
&rst
ixpk= 2251, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 498, 499, 310, 311, 495, 496,
igr2= 510, 319,
&end
#
# 0 AMB 25-3:2252 0 AMB 25-1:2252 5.50 (# 2252:25 Double Ambig)
&rst
ixpk= 2252, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 495, 496, 332, 333,
igr2= 510, 319,
&end
#
# 33 LYS HN 32 ASP HA 4.50 (# 2253:25 Preassigned 3.38, 3.39 A)
&rst
ixpk= 2253, nxpk= 25, iat= 520, 510, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 GLU HN 33 LYS HA 4.50 (# 2254:25 Preassigned 3.41, 3.42 A)
&rst
ixpk= 2254, nxpk= 25, iat= 542, 522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 GLY HN 33 LYS HA 5.50 (# 2255:25 Preassigned 4.81, 4.86 A)
&rst
ixpk= 2255, nxpk= 25, iat= 557, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 ASP HN 33 LYS HA 5.50 (# 2256:25 Preassigned 5.01, 5.02 A)
&rst
ixpk= 2256, nxpk= 25, iat= 508, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 GLU HA 33 LYS HA 5.50 (# 2257:25 Preassigned 4.52, 4.52 A)
&rst
ixpk= 2257, nxpk= 25, iat= 544, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ILE HA 33 LYS HA 5.50 (# 2258:25 Preassigned 5.22, 5.26 A)
&rst
ixpk= 2258, nxpk= 25, iat= 474, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2259 33 LYS HA 4.50 (# 2259:25 Single Ambig)
&rst
ixpk= 2259, nxpk= 25, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 533, 534, 533, 534,
&end
#
# 32 ASP HB+ 33 LYS HA 5.50 (# 2260:25 Preassigned 4.19, 4.79 A)
&rst
ixpk= 2260, nxpk= 25, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 512, 513,
&end
#
# 32 ASP HB- 33 LYS HA 5.50 (# 2261:25 Preassigned 4.19, 4.79 A)
&rst
ixpk= 2261, nxpk= 25, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 512, 513,
&end
#
# 31 GLN HB+ 33 LYS HA 7.00 (# 2262:25 Preassigned 7.56, 7.95 A)
&rst
ixpk= 2262, nxpk= 25, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 495, 496,
&end
#
# 13 ILE QG2 33 LYS HA 5.50 (# 2263:25 Unique 6.06, 7.02 A)
&rst
ixpk= 2263, nxpk= 25, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 211, 212, 213,
&end
#
# 0 AMB 25-3:2264 33 LYS HA 5.50 (# 2264:25 Single Ambig)
&rst
ixpk= 2264, nxpk= 25, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 218, 219, 220, 478, 479, 480,
&end
#
# 30 ILE HA 33 LYS HB- 4.50 (# 2265:25 Preassigned 2.53, 3.45 A)
&rst
ixpk= 2265, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 524, 525,
&end
#
# 34 GLU HN 0 AMB 25-1:2266 5.50 (# 2266:25 Single Ambig)
&rst
ixpk= 2266, nxpk= 25, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 527, 528, 527, 528,
&end
#
# 33 LYS HN 0 AMB 25-1:2267 3.50 (# 2267:25 Single Ambig)
&rst
ixpk= 2267, nxpk= 25, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 527, 528, 527, 528,
&end
#
# 33 LYS HA 0 AMB 25-1:2268 3.50 (# 2268:25 Single Ambig)
&rst
ixpk= 2268, nxpk= 25, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 527, 528, 527, 528,
&end
#
# 30 ILE HA 0 AMB 25-1:2269 4.50 (# 2269:25 Single Ambig)
&rst
ixpk= 2269, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 527, 528, 527, 528,
&end
#
# 0 AMB 25-3:2271 0 AMB 25-1:2271 3.50 (# 2271:25 Double Ambig)
&rst
ixpk= 2271, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 533, 534, 533, 534, 533, 534,
igr2= 527, 528, 527, 528, 527, 528,
&end
#
# 0 AMB 25-3:2272 0 AMB 25-1:2272 5.50 (# 2272:25 Double Ambig)
&rst
ixpk= 2272, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 512, 513, 512, 513,
igr2= 527, 528, 527, 528,
&end
#
# 32 ASP HB- 0 AMB 25-1:2273 4.50 (# 2273:25 Single Ambig)
&rst
ixpk= 2273, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 512, 513,
igr2= 527, 528, 527, 528,
&end
#
# 0 AMB 25-3:2274 0 AMB 25-1:2274 5.50 (# 2274:25 Double Ambig)
&rst
ixpk= 2274, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 495, 496, 495, 496,
igr2= 527, 528, 527, 528,
&end
#
# 34 GLU HG- 0 AMB 25-1:2275 4.50 (# 2275:25 Single Ambig)
&rst
ixpk= 2275, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 549, 550,
igr2= 527, 528, 527, 528,
&end
#
# 0 AMB 25-3:2276 0 AMB 25-1:2276 3.50 (# 2276:25 Double Ambig)
&rst
ixpk= 2276, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 524, 525, 524, 525,
igr2= 527, 528, 527, 528,
&end
#
# 33 LYS HB- 0 AMB 25-1:2277 3.50 (# 2277:25 Single Ambig)
&rst
ixpk= 2277, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 524, 525,
igr2= 527, 528, 527, 528,
&end
#
# 0 AMB 25-3:2278 0 AMB 25-1:2278 2.80 (# 2278:25 Double Ambig)
&rst
ixpk= 2278, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 530, 531, 530, 531, 530, 531,
igr2= 527, 528, 527, 528, 527, 528,
&end
#
# 0 AMB 25-3:2279 0 AMB 25-1:2279 3.50 (# 2279:25 Double Ambig)
&rst
ixpk= 2279, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 218, 219, 220, 247, 248, 249, 251, 252, 253,
igr2= 527, 528, 527, 528,
&end
#
# 13 ILE QD1 0 AMB 25-1:2280 3.50 (# 2280:25 Single Ambig)
&rst
ixpk= 2280, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 218, 219, 220,
igr2= 530, 531, 530, 531,
&end
#
# 13 ILE QG2 0 AMB 25-1:2281 4.50 (# 2281:25 Single Ambig)
&rst
ixpk= 2281, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 211, 212, 213,
igr2= 530, 531, 530, 531,
&end
#
# 0 AMB 25-3:2282 0 AMB 25-1:2282 2.80 (# 2282:25 Double Ambig)
&rst
ixpk= 2282, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 527, 528, 527, 528, 527, 528,
igr2= 530, 531, 530, 531, 530, 531,
&end
#
# 33 LYS HB- 0 AMB 25-1:2283 3.50 (# 2283:25 Single Ambig)
&rst
ixpk= 2283, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 524, 525,
igr2= 530, 531, 530, 531,
&end
#
# 0 AMB 25-3:2284 0 AMB 25-1:2284 3.50 (# 2284:25 Double Ambig)
&rst
ixpk= 2284, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 524, 525, 524, 525,
igr2= 530, 531, 530, 531,
&end
#
# 0 AMB 25-3:2285 0 AMB 25-1:2285 3.50 (# 2285:25 Double Ambig)
&rst
ixpk= 2285, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 533, 534, 533, 534, 533, 534,
igr2= 530, 531, 530, 531, 530, 531,
&end
#
# 33 LYS HA 0 AMB 25-1:2286 3.50 (# 2286:25 Single Ambig)
&rst
ixpk= 2286, nxpk= 25, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 530, 531, 530, 531,
&end
#
# 15 LEU HA 0 AMB 25-1:2287 5.50 (# 2287:25 Single Ambig)
&rst
ixpk= 2287, nxpk= 25, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 530, 531, 530, 531,
&end
#
# 33 LYS HN 0 AMB 25-1:2288 4.50 (# 2288:25 Single Ambig)
&rst
ixpk= 2288, nxpk= 25, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 530, 531, 530, 531,
&end
#
# 0 AMB 25-3:2289 0 AMB 25-1:2289 5.50 (# 2289:25 Double Ambig)
&rst
ixpk= 2289, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 450, 440,
igr2= 463, 464, 463, 464,
&end
#
# 33 LYS HA 0 AMB 25-1:2290 5.50 (# 2290:25 Single Ambig)
&rst
ixpk= 2290, nxpk= 25, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 533, 534, 533, 534,
&end
#
# 14 THR HB 0 AMB 25-1:2291 5.50 (# 2291:25 Single Ambig)
&rst
ixpk= 2291, nxpk= 25, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 533, 534, 533, 534,
&end
#
# 30 ILE HA 0 AMB 25-1:2292 5.50 (# 2292:25 Single Ambig)
&rst
ixpk= 2292, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 533, 534, 533, 534,
&end
#
# 26 VAL HA 29 LYS HE+ 4.50 (# 2293:25 Preassigned 3.93, 4.54 A)
&rst
ixpk= 2293, nxpk= 25, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 463, 464,
&end
#
# 0 AMB 25-3:2294 0 AMB 25-1:2294 5.50 (# 2294:25 Double Ambig)
&rst
ixpk= 2294, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 524, 525, 524, 525,
igr2= 533, 534, 533, 534,
&end
#
# 7 THR HN 11 LYS HB+ 5.50 (# 2295:25 Preassigned 3.45, 4.40 A)
&rst
ixpk= 2295, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 173, 174,
&end
#
# 0 AMB 25-3:2296 0 AMB 25-1:2296 5.50 (# 2296:25 Double Ambig)
&rst
ixpk= 2296, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 657, 162,
igr2= 647, 648, 173, 174,
&end
#
# 11 LYS HN 11 LYS HB+ 3.50 (# 2297:25 Preassigned 2.22, 2.92 A)
&rst
ixpk= 2297, nxpk= 25, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 173, 174,
&end
#
# 7 THR HA 11 LYS HB+ 5.50 (# 2298:25 Preassigned 5.42, 6.46 A)
&rst
ixpk= 2298, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 173, 174,
&end
#
# 7 THR HB 11 LYS HB+ 4.50 (# 2299:25 Preassigned 4.33, 5.25 A)
&rst
ixpk= 2299, nxpk= 25, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 173, 174,
&end
#
# 11 LYS HA 11 LYS HB+ 3.50 (# 2300:25 Unique 2.23, 2.54 A)
&rst
ixpk= 2300, nxpk= 25, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 173, 174,
&end
#
# 0 AMB 25-3:2301 0 AMB 25-1:2301 5.50 (# 2301:25 Double Ambig)
&rst
ixpk= 2301, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 182, 183, 182, 183, 182, 183,
igr2= 173, 174, 173, 174, 546, 547,
&end
#
# 0 AMB 25-3:2302 0 AMB 25-1:2302 3.50 (# 2302:25 Double Ambig)
&rst
ixpk= 2302, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 176, 177, 568, 425, 426,
igr2= 173, 174, 647, 648,
&end
#
# 0 AMB 25-3:2303 0 AMB 25-1:2303 3.50 (# 2303:25 Double Ambig)
&rst
ixpk= 2303, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 176, 177, 154, 155, 156,
igr2= 173, 174, 173, 174,
&end
#
# 61 ILE QG2 62 GLN HG- 5.50 (# 2304:25 Preassigned 5.14, 6.70 A)
&rst
ixpk= 2304, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 969, 970, 971,
igr2= 989, 990,
&end
#
# 0 AMB 25-3:2305 0 AMB 25-1:2305 5.50 (# 2305:25 Double Ambig)
&rst
ixpk= 2305, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 570, 571, 572, 485, 486, 487,
igr2= 546, 547, 546, 547,
&end
#
# 36 ILE HG1+ 34 GLU HB+ 4.50 (# 2306:25 Preassigned 2.93, 4.07 A)
&rst
ixpk= 2306, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 574, 575,
igr2= 546, 547,
&end
#
# 34 GLU HG+ 34 GLU HB+ 3.50 (# 2307:25 Preassigned 2.21, 2.54 A)
&rst
ixpk= 2307, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 549, 550,
igr2= 546, 547,
&end
#
# 36 ILE HN 34 GLU HB+ 4.50 (# 2308:25 Preassigned 2.67, 3.14 A)
&rst
ixpk= 2308, nxpk= 25, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 546, 547,
&end
#
# 34 GLU HN 34 GLU HG- 4.50 (# 2309:25 Preassigned 3.06, 3.75 A)
&rst
ixpk= 2309, nxpk= 25, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 549, 550,
&end
#
# 35 GLY HN 34 GLU HG- 5.50 (# 2310:25 Preassigned 4.37, 4.81 A)
&rst
ixpk= 2310, nxpk= 25, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 549, 550,
&end
#
# 33 LYS HN 34 GLU HG- 5.50 (# 2311:25 Preassigned 4.11, 5.02 A)
&rst
ixpk= 2311, nxpk= 25, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 549, 550,
&end
#
# 36 ILE HN 34 GLU HG- 5.50 (# 2312:25 Preassigned 4.89, 5.05 A)
&rst
ixpk= 2312, nxpk= 25, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 549, 550,
&end
#
# 34 GLU HA 34 GLU HG- 4.50 (# 2313:25 Preassigned 3.24, 3.46 A)
&rst
ixpk= 2313, nxpk= 25, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 549, 550,
&end
#
# 30 ILE HA 34 GLU HG- 5.50 (# 2314:25 Preassigned 3.01, 3.87 A)
&rst
ixpk= 2314, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 549, 550,
&end
#
# 33 LYS HB- 34 GLU HG- 4.50 (# 2315:25 Unique 3.03, 4.48 A)
&rst
ixpk= 2315, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 524, 525,
igr2= 549, 550,
&end
#
# 0 AMB 25-3:2316 34 GLU HG- 4.50 (# 2316:25 Single Ambig)
&rst
ixpk= 2316, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 574, 575, 176, 177, 568,
igr2= 549, 550,
&end
#
# 7 THR QG2 34 GLU HG- 5.50 (# 2317:25 Unique 2.55, 3.76 A)
&rst
ixpk= 2317, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 121, 122, 123,
igr2= 549, 550,
&end
#
# 0 AMB 25-3:2318 34 GLU HG- 4.50 (# 2318:25 Single Ambig)
&rst
ixpk= 2318, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1101,1102, 215, 216, 574, 575,
igr2= 549, 550,
&end
#
# 13 ILE QG2 34 GLU HG- 4.50 (# 2319:25 Preassigned 2.80, 4.04 A)
&rst
ixpk= 2319, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 211, 212, 213,
igr2= 549, 550,
&end
#
# 0 AMB 25-3:2320 35 GLY HA- 5.50 (# 2320:25 Single Ambig)
&rst
ixpk= 2320, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 574, 575, 568,
igr2= 559, 560,
&end
#
# 0 AMB 25-3:2321 0 AMB 25-1:2321 4.50 (# 2321:25 Double Ambig)
&rst
ixpk= 2321, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 760, 761, 760, 761, 495, 496,
igr2= 751, 752, 559, 560,
&end
#
# 34 GLU HG+ 35 GLY HA- 5.50 (# 2322:25 Unique 6.69, 6.95 A)
&rst
ixpk= 2322, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 549, 550,
igr2= 559, 560,
&end
#
# 31 GLN HG- 35 GLY HA- 5.50 (# 2323:25 Preassigned 2.90, 4.49 A)
&rst
ixpk= 2323, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 498, 499,
igr2= 559, 560,
&end
#
# 0 AMB 25-3:2325 47 GLY HA- 5.50 (# 2325:25 Single Ambig)
&rst
ixpk= 2325, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 758, 780,
igr2= 751, 752,
&end
#
# 36 ILE HN 35 GLY HA- 4.50 (# 2326:25 Preassigned 3.15, 3.27 A)
&rst
ixpk= 2326, nxpk= 25, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 559, 560,
&end
#
# 34 GLU HN 35 GLY HA- 4.50 (# 2327:25 Preassigned 4.13, 4.36 A)
&rst
ixpk= 2327, nxpk= 25, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 559, 560,
&end
#
# 34 GLU HN 35 GLY HA+ 4.50 (# 2328:25 Preassigned 4.13, 4.36 A)
&rst
ixpk= 2328, nxpk= 25, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 559, 560,
&end
#
# 36 ILE HN 35 GLY HA+ 4.50 (# 2329:25 Preassigned 3.15, 3.27 A)
&rst
ixpk= 2329, nxpk= 25, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 559, 560,
&end
#
# 0 AMB 25-3:2330 0 AMB 25-1:2330 5.50 (# 2330:25 Double Ambig)
&rst
ixpk= 2330, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 544, 593,
igr2= 559, 560, 559, 560,
&end
#
# 36 ILE HA 35 GLY HA+ 5.50 (# 2331:25 Preassigned 4.48, 4.51 A)
&rst
ixpk= 2331, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 559, 560,
&end
#
# 31 GLN HG- 35 GLY HA+ 5.50 (# 2332:25 Preassigned 2.90, 4.49 A)
&rst
ixpk= 2332, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 498, 499,
igr2= 559, 560,
&end
#
# 31 GLN HB- 35 GLY HA+ 4.50 (# 2333:25 Preassigned 5.25, 6.10 A)
&rst
ixpk= 2333, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 495, 496,
igr2= 559, 560,
&end
#
# 34 GLU HB- 35 GLY HA+ 5.50 (# 2334:25 Preassigned 4.73, 5.03 A)
&rst
ixpk= 2334, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 546, 547,
igr2= 559, 560,
&end
#
# 0 AMB 25-3:2335 0 AMB 25-1:2335 5.50 (# 2335:25 Double Ambig)
&rst
ixpk= 2335, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 574, 575, 568,
igr2= 559, 560, 559, 560,
&end
#
# 30 ILE QG2 35 GLY HA+ 5.50 (# 2336:25 Preassigned 6.89, 7.97 A)
&rst
ixpk= 2336, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 478, 479, 480,
igr2= 559, 560,
&end
#
# 36 ILE QD1 35 GLY HA+ 5.50 (# 2337:25 Preassigned 6.01, 6.86 A)
&rst
ixpk= 2337, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 577, 578, 579,
igr2= 559, 560,
&end
#
# 30 ILE QG2 36 ILE HB 3.50 (# 2338:25 Preassigned 3.77, 4.85 A)
&rst
ixpk= 2338, nxpk= 25, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 478, 479, 480,
&end
#
# 36 ILE QD1 36 ILE HB 3.50 (# 2339:25 Preassigned 2.61, 3.08 A)
&rst
ixpk= 2339, nxpk= 25, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 577, 578, 579,
&end
#
# 36 ILE QG2 36 ILE HB 3.50 (# 2340:25 Preassigned 2.29, 2.63 A)
&rst
ixpk= 2340, nxpk= 25, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 570, 571, 572,
&end
#
# 36 ILE HG1+ 36 ILE HB 4.50 (# 2341:25 Preassigned 2.49, 2.77 A)
&rst
ixpk= 2341, nxpk= 25, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 574, 575,
&end
#
# 34 GLU HB- 36 ILE HB 4.50 (# 2342:25 Unique 3.47, 3.80 A)
&rst
ixpk= 2342, nxpk= 25, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 546, 547,
&end
#
# 31 GLN HB- 36 ILE HB 4.50 (# 2343:25 Unique 4.58, 5.37 A)
&rst
ixpk= 2343, nxpk= 25, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 495, 496,
&end
#
# 34 GLU HB+ 36 ILE HB 5.50 (# 2344:25 Unique 3.47, 3.80 A)
&rst
ixpk= 2344, nxpk= 25, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 546, 547,
&end
#
# 0 AMB 25-3:2345 36 ILE HB 5.50 (# 2345:25 Single Ambig)
&rst
ixpk= 2345, nxpk= 25, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 476, 630, 631, 630, 631,
&end
#
# 37 PRO HD- 36 ILE HB 5.50 (# 2346:25 Preassigned 4.03, 4.50 A)
&rst
ixpk= 2346, nxpk= 25, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 584, 585,
&end
#
# 31 GLN HA 36 ILE HB 4.50 (# 2347:25 Preassigned 3.54, 3.58 A)
&rst
ixpk= 2347, nxpk= 25, iat= 493, 568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 PRO HD+ 36 ILE HB 5.50 (# 2348:25 Preassigned 4.03, 4.50 A)
&rst
ixpk= 2348, nxpk= 25, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 584, 585,
&end
#
# 36 ILE HA 36 ILE HB 4.50 (# 2349:25 Preassigned 3.02, 3.02 A)
&rst
ixpk= 2349, nxpk= 25, iat= 566, 568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 GLN HE2+ 36 ILE HB 4.50 (# 2350:25 Preassigned 3.23, 3.98 A)
&rst
ixpk= 2350, nxpk= 25, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 652, 653,
&end
#
# 36 ILE HN 36 ILE HB 3.50 (# 2351:25 Preassigned 2.59, 2.61 A)
&rst
ixpk= 2351, nxpk= 25, iat= 564, 568, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 GLN HE2- 36 ILE HB 5.50 (# 2352:25 Preassigned 3.23, 3.98 A)
&rst
ixpk= 2352, nxpk= 25, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 652, 653,
&end
#
# 0 AMB 25-3:2353 36 ILE HB 5.50 (# 2353:25 Single Ambig)
&rst
ixpk= 2353, nxpk= 25, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 557, 491,1151,
&end
#
# 34 GLU HN 36 ILE HB 7.00 (# 2354:25 Preassigned 5.53, 5.55 A)
&rst
ixpk= 2354, nxpk= 25, iat= 542, 568, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 34 GLU HN 32 ASP HA 5.50 (# 2355:25 Unique 4.21, 4.24 A)
&rst
ixpk= 2355, nxpk= 25, iat= 542, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2356 36 ILE QG2 5.50 (# 2356:25 Single Ambig)
&rst
ixpk= 2356, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 598, 599, 598, 599,
igr2= 570, 571, 572,
&end
#
# 31 GLN HA 36 ILE QG2 5.50 (# 2357:25 Preassigned 5.04, 5.58 A)
&rst
ixpk= 2357, nxpk= 25, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 570, 571, 572,
&end
#
# 37 PRO HA 36 ILE QG2 5.50 (# 2358:25 Preassigned 4.26, 5.30 A)
&rst
ixpk= 2358, nxpk= 25, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 570, 571, 572,
&end
#
# 40 GLN HE2- 36 ILE QG2 7.00 (# 2360:25 Preassigned 5.53, 6.98 A)
&rst
ixpk= 2360, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 635, 636,
igr2= 570, 571, 572,
&end
#
# 42 ARG HN 36 ILE QG2 5.50 (# 2362:25 Preassigned 4.75, 5.66 A)
&rst
ixpk= 2362, nxpk= 25, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 570, 571, 572,
&end
#
# 0 AMB 25-3:2363 36 ILE QG2 5.50 (# 2363:25 Single Ambig)
&rst
ixpk= 2363, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1151, 611,1175, 557,
igr2= 570, 571, 572,
&end
#
# 42 ARG HN 36 ILE QD1 5.50 (# 2364:25 Preassigned 5.91, 6.92 A)
&rst
ixpk= 2364, nxpk= 25, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 577, 578, 579,
&end
#
# 41 GLN HN 36 ILE QD1 7.00 (# 2366:25 Preassigned 6.77, 7.72 A)
&rst
ixpk= 2366, nxpk= 25, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 577, 578, 579,
&end
#
# 41 GLN HE2- 36 ILE QD1 5.50 (# 2368:25 Preassigned 5.48, 6.67 A)
&rst
ixpk= 2368, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 652, 653,
igr2= 577, 578, 579,
&end
#
# 0 AMB 25-3:2369 36 ILE QD1 7.00 (# 2369:25 Single Ambig)
&rst
ixpk= 2369, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1099, 117,
igr2= 577, 578, 579,
&end
#
# 71 LEU HA 36 ILE QD1 5.50 (# 2370:25 Unique 4.20, 5.31 A)
&rst
ixpk= 2370, nxpk= 25, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 577, 578, 579,
&end
#
# 37 PRO HD+ 36 ILE QD1 5.50 (# 2371:25 Preassigned 5.00, 6.18 A)
&rst
ixpk= 2371, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 584, 585,
igr2= 577, 578, 579,
&end
#
# 0 AMB 25-3:2372 36 ILE QD1 5.50 (# 2372:25 Single Ambig)
&rst
ixpk= 2372, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 642, 559, 560,
igr2= 577, 578, 579,
&end
#
# 31 GLN HA 36 ILE QD1 5.50 (# 2373:25 Preassigned 5.48, 6.17 A)
&rst
ixpk= 2373, nxpk= 25, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 577, 578, 579,
&end
#
# 36 ILE QD1 37 PRO HD+ 5.50 (# 2375:25 Preassigned 5.00, 6.18 A)
&rst
ixpk= 2375, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 577, 578, 579,
igr2= 584, 585,
&end
#
# 36 ILE HG1+ 37 PRO HD+ 5.50 (# 2376:25 Preassigned 3.71, 4.58 A)
&rst
ixpk= 2376, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 574, 575,
igr2= 584, 585,
&end
#
# 0 AMB 25-3:2377 0 AMB 25-1:2377 4.50 (# 2377:25 Double Ambig)
&rst
ixpk= 2377, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 574, 575, 568,
igr2= 584, 585, 584, 585,
&end
#
# 31 GLN HG- 37 PRO HD+ 5.50 (# 2378:25 Preassigned 3.51, 4.49 A)
&rst
ixpk= 2378, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 498, 499,
igr2= 584, 585,
&end
#
# 0 AMB 25-3:2379 0 AMB 25-1:2379 4.50 (# 2379:25 Double Ambig)
&rst
ixpk= 2379, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 590, 591, 630, 631, 630, 631,
igr2= 584, 585, 584, 585, 584, 585,
&end
#
# 35 GLY HA+ 37 PRO HD+ 5.50 (# 2380:25 Preassigned 5.42, 6.04 A)
&rst
ixpk= 2380, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 559, 560,
igr2= 584, 585,
&end
#
# 37 PRO HA 37 PRO HD+ 5.50 (# 2381:25 Preassigned 3.60, 3.85 A)
&rst
ixpk= 2381, nxpk= 25, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 584, 585,
&end
#
# 36 ILE HN 37 PRO HD+ 5.50 (# 2382:25 Preassigned 4.74, 4.80 A)
&rst
ixpk= 2382, nxpk= 25, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 584, 585,
&end
#
# 40 GLN HE2- 37 PRO HD+ 5.50 (# 2383:25 Preassigned 4.82, 7.10 A)
&rst
ixpk= 2383, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 635, 636,
igr2= 584, 585,
&end
#
# 40 GLN HE2+ 37 PRO HD+ 5.50 (# 2384:25 Preassigned 4.82, 7.10 A)
&rst
ixpk= 2384, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 635, 636,
igr2= 584, 585,
&end
#
# 31 GLN HE2+ 37 PRO HD+ 5.50 (# 2385:25 Preassigned 4.49, 5.91 A)
&rst
ixpk= 2385, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 503, 504,
igr2= 584, 585,
&end
#
# 0 AMB 25-3:2386 37 PRO HD- 5.50 (# 2386:25 Single Ambig)
&rst
ixpk= 2386, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 611, 557,1151, 491,
igr2= 584, 585,
&end
#
# 40 GLN HN 37 PRO HD- 5.50 (# 2387:25 Preassigned 4.65, 5.19 A)
&rst
ixpk= 2387, nxpk= 25, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 584, 585,
&end
#
# 31 GLN HE2+ 37 PRO HD- 5.50 (# 2388:25 Preassigned 4.49, 5.91 A)
&rst
ixpk= 2388, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 503, 504,
igr2= 584, 585,
&end
#
# 40 GLN HE2- 37 PRO HD- 5.50 (# 2389:25 Preassigned 4.82, 7.10 A)
&rst
ixpk= 2389, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 635, 636,
igr2= 584, 585,
&end
#
# 36 ILE HN 37 PRO HD- 5.50 (# 2390:25 Preassigned 4.74, 4.80 A)
&rst
ixpk= 2390, nxpk= 25, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 584, 585,
&end
#
# 37 PRO HA 37 PRO HD- 4.50 (# 2391:25 Preassigned 3.60, 3.85 A)
&rst
ixpk= 2391, nxpk= 25, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 584, 585,
&end
#
# 0 AMB 25-3:2392 37 PRO HD- 4.50 (# 2392:25 Single Ambig)
&rst
ixpk= 2392, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 598, 599, 598, 599,
igr2= 584, 585,
&end
#
# 0 AMB 25-3:2394 37 PRO HD- 4.50 (# 2394:25 Single Ambig)
&rst
ixpk= 2394, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 574, 575, 568,
igr2= 584, 585,
&end
#
# 36 ILE HG1+ 37 PRO HD- 5.50 (# 2395:25 Preassigned 3.71, 4.58 A)
&rst
ixpk= 2395, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 574, 575,
igr2= 584, 585,
&end
#
# 36 ILE QD1 37 PRO HD- 5.50 (# 2396:25 Preassigned 5.00, 6.18 A)
&rst
ixpk= 2396, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 577, 578, 579,
igr2= 584, 585,
&end
#
# 0 AMB 25-3:2397 38 PRO HA 5.50 (# 2397:25 Single Ambig)
&rst
ixpk= 2397, nxpk= 25, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
695, 696, 360, 361, 362,
&end
#
# 36 ILE QG2 38 PRO HA 4.50 (# 2398:25 Preassigned 4.94, 5.88 A)
&rst
ixpk= 2398, nxpk= 25, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 570, 571, 572,
&end
#
# 27 LYS HB+ 38 PRO HA 3.50 (# 2399:25 Preassigned 2.52, 3.20 A)
&rst
ixpk= 2399, nxpk= 25, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 422, 423,
&end
#
# 0 AMB 25-3:2400 38 PRO HA 4.50 (# 2400:25 Single Ambig)
&rst
ixpk= 2400, nxpk= 25, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 590, 591, 476, 630, 631,
&end
#
# 41 GLN HG+ 38 PRO HA 4.50 (# 2401:25 Preassigned 3.98, 4.66 A)
&rst
ixpk= 2401, nxpk= 25, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 647, 648,
&end
#
# 0 AMB 25-3:2402 38 PRO HA 5.50 (# 2402:25 Single Ambig)
&rst
ixpk= 2402, nxpk= 25, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 431, 432, 615, 616,
&end
#
# 0 AMB 25-3:2403 38 PRO HA 4.50 (# 2403:25 Single Ambig)
&rst
ixpk= 2403, nxpk= 25, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 598, 599, 598, 599,
&end
#
# 39 ASP HA 38 PRO HA 4.50 (# 2404:25 Unique 4.80, 4.81 A)
&rst
ixpk= 2404, nxpk= 25, iat= 613, 607, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2405 38 PRO HA 4.50 (# 2405:25 Single Ambig)
&rst
ixpk= 2405, nxpk= 25, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 593, 420,
&end
#
# 41 GLN HE2+ 38 PRO HA 4.50 (# 2406:25 Preassigned 2.67, 3.51 A)
&rst
ixpk= 2406, nxpk= 25, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 652, 653,
&end
#
# 41 GLN HE2- 38 PRO HA 4.50 (# 2407:25 Preassigned 2.67, 3.51 A)
&rst
ixpk= 2407, nxpk= 25, iat= -1, 607, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 652, 653,
&end
#
# 41 GLN HN 38 PRO HA 4.50 (# 2408:25 Preassigned 3.02, 3.06 A)
&rst
ixpk= 2408, nxpk= 25, iat= 640, 607, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 GLN HN 38 PRO HA 5.50 (# 2409:25 Preassigned 3.73, 3.76 A)
&rst
ixpk= 2409, nxpk= 25, iat= 623, 607, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ASP HN 38 PRO HA 4.50 (# 2410:25 Preassigned 3.53, 3.54 A)
&rst
ixpk= 2410, nxpk= 25, iat= 611, 607, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2411 0 AMB 25-1:2411 5.50 (# 2411:25 Double Ambig)
&rst
ixpk= 2411, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 440, 916,
igr2= 604, 605, 852, 853,
&end
#
# 59 TYR HD1 54 ARG HB- 5.50 (# 2412:25 Preassigned 3.67, 3.98 A)
&rst
ixpk= 2412, nxpk= 25, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 852, 853,
&end
#
# 22 THR HB 54 ARG HB- 5.50 (# 2413:25 Preassigned 6.05, 6.34 A)
&rst
ixpk= 2413, nxpk= 25, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 852, 853,
&end
#
# 54 ARG HA 54 ARG HB- 3.50 (# 2414:25 Preassigned 2.53, 2.78 A)
&rst
ixpk= 2414, nxpk= 25, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 852, 853,
&end
#
# 51 GLU HA 54 ARG HB- 5.50 (# 2415:25 Preassigned 4.84, 5.77 A)
&rst
ixpk= 2415, nxpk= 25, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 852, 853,
&end
#
# 64 GLU HA 63 LYS HB- 5.50 (# 2416:25 Unique 4.85, 5.05 A)
&rst
ixpk= 2416, nxpk= 25, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1003,1004,
&end
#
# 23 ILE QD1 54 ARG HB- 5.50 (# 2417:25 Preassigned 3.99, 4.67 A)
&rst
ixpk= 2417, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 367, 368, 369,
igr2= 852, 853,
&end
#
# 54 ARG HG+ 54 ARG HB+ 4.50 (# 2418:25 Preassigned 2.21, 2.65 A)
&rst
ixpk= 2418, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 855, 856,
igr2= 852, 853,
&end
#
# 54 ARG HD- 54 ARG HB+ 4.50 (# 2419:25 Preassigned 2.00, 3.07 A)
&rst
ixpk= 2419, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 858, 859,
igr2= 852, 853,
&end
#
# 54 ARG HA 54 ARG HB+ 4.50 (# 2420:25 Preassigned 2.53, 2.78 A)
&rst
ixpk= 2420, nxpk= 25, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 852, 853,
&end
#
# 59 TYR HE1 54 ARG HB+ 4.50 (# 2421:25 Preassigned 1.90, 2.12 A)
&rst
ixpk= 2421, nxpk= 25, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 852, 853,
&end
#
# 59 TYR HD1 54 ARG HB+ 5.50 (# 2422:25 Preassigned 3.67, 3.98 A)
&rst
ixpk= 2422, nxpk= 25, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 852, 853,
&end
#
# 54 ARG HN 54 ARG HB+ 4.50 (# 2423:25 Preassigned 2.34, 2.99 A)
&rst
ixpk= 2423, nxpk= 25, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 852, 853,
&end
#
# 55 THR HN 54 ARG HB+ 4.50 (# 2424:25 Preassigned 2.05, 2.76 A)
&rst
ixpk= 2424, nxpk= 25, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 852, 853,
&end
#
# 28 ALA HN 38 PRO HG+ 5.50 (# 2425:25 Preassigned 4.66, 5.48 A)
&rst
ixpk= 2425, nxpk= 25, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 601, 602,
&end
#
# 31 GLN HE2- 38 PRO HG+ 5.50 (# 2426:25 Preassigned 4.93, 5.60 A)
&rst
ixpk= 2426, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 503, 504,
igr2= 601, 602,
&end
#
# 41 GLN HE2- 38 PRO HG+ 7.00 (# 2427:25 Preassigned 5.46, 6.17 A)
&rst
ixpk= 2427, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 652, 653,
igr2= 601, 602,
&end
#
# 0 AMB 25-3:2428 0 AMB 25-1:2428 3.50 (# 2428:25 Double Ambig)
&rst
ixpk= 2428, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 442, 313, 607, 321, 322,
igr2= 601, 602, 307, 308, 601, 602, 307, 308,
&end
#
# 55 THR HN 54 ARG HG- 5.50 (# 2429:25 Preassigned 4.13, 4.48 A)
&rst
ixpk= 2429, nxpk= 25, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 855, 856,
&end
#
# 52 ASP HN 54 ARG HG- 7.00 (# 2431:25 Unique 5.96, 6.53 A)
&rst
ixpk= 2431, nxpk= 25, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 855, 856,
&end
#
# 0 AMB 25-3:2432 54 ARG HG- 5.50 (# 2432:25 Single Ambig)
&rst
ixpk= 2432, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 938, 943,
igr2= 855, 856,
&end
#
# 41 GLN HE2- 38 PRO HG- 5.50 (# 2433:25 Preassigned 5.46, 6.17 A)
&rst
ixpk= 2433, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 652, 653,
igr2= 601, 602,
&end
#
# 37 PRO HA 38 PRO HG- 4.50 (# 2434:25 Unique 4.44, 4.48 A)
&rst
ixpk= 2434, nxpk= 25, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 601, 602,
&end
#
# 0 AMB 25-3:2436 38 PRO HG- 3.50 (# 2436:25 Single Ambig)
&rst
ixpk= 2436, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 442, 607,
igr2= 601, 602,
&end
#
# 0 AMB 25-3:2437 38 PRO HG- 3.50 (# 2437:25 Single Ambig)
&rst
ixpk= 2437, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 598, 599, 598, 599,
igr2= 601, 602,
&end
#
# 0 AMB 25-3:2438 0 AMB 25-1:2438 3.50 (# 2438:25 Double Ambig)
&rst
ixpk= 2438, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 852, 853, 604, 605,
igr2= 855, 856, 601, 602,
&end
#
# 39 ASP HN 0 AMB 25-1:2439 4.50 (# 2439:25 Single Ambig)
&rst
ixpk= 2439, nxpk= 25, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 598, 599, 598, 599,
&end
#
# 32 ASP HN 0 AMB 25-1:2440 7.00 (# 2440:25 Single Ambig)
&rst
ixpk= 2440, nxpk= 25, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 598, 599, 598, 599,
&end
#
# 40 GLN HN 0 AMB 25-1:2441 5.50 (# 2441:25 Single Ambig)
&rst
ixpk= 2441, nxpk= 25, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 598, 599, 598, 599,
&end
#
# 0 AMB 25-3:2442 0 AMB 25-1:2442 4.50 (# 2442:25 Double Ambig)
&rst
ixpk= 2442, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 503, 504, 503, 504,
igr2= 598, 599, 598, 599,
&end
#
# 31 GLN HE2- 0 AMB 25-1:2443 4.50 (# 2443:25 Single Ambig)
&rst
ixpk= 2443, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 503, 504,
igr2= 598, 599, 598, 599,
&end
#
# 41 GLN HE2- 0 AMB 25-1:2444 5.50 (# 2444:25 Single Ambig)
&rst
ixpk= 2444, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 652, 653,
igr2= 598, 599, 598, 599,
&end
#
# 0 AMB 25-3:2445 0 AMB 25-1:2445 5.50 (# 2445:25 Double Ambig)
&rst
ixpk= 2445, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 652, 653, 652, 653,
igr2= 598, 599, 598, 599,
&end
#
# 0 AMB 25-3:2446 0 AMB 25-1:2446 5.50 (# 2446:25 Double Ambig)
&rst
ixpk= 2446, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 613, 566, 625,
igr2= 598, 599, 598, 599, 598, 599,
&end
#
# 0 AMB 25-3:2447 0 AMB 25-1:2447 4.50 (# 2447:25 Double Ambig)
&rst
ixpk= 2447, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 442, 607,
igr2= 598, 599, 598, 599, 598, 599,
&end
#
# 36 ILE QG2 0 AMB 25-1:2448 5.50 (# 2448:25 Single Ambig)
&rst
ixpk= 2448, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 570, 571, 572,
igr2= 598, 599, 598, 599,
&end
#
# 73 LEU QD+ 40 GLN HA 7.00 (# 2449:25 Preassigned 5.61, 7.24 A)
&rst
ixpk= 2449, nxpk= 25, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 25-3:2450 40 GLN HA 5.50 (# 2450:25 Single Ambig)
&rst
ixpk= 2450, nxpk= 25, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1141,1142,1143,1145,1146,1147, 570, 571, 572,
&end
#
# 0 AMB 25-3:2451 0 AMB 25-1:2451 4.50 (# 2451:25 Double Ambig)
&rst
ixpk= 2451, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1161,1162,1161,1162,1161,1162,1204,1205,
igr2= 613, 625,
&end
#
# 41 GLN HN 0 AMB 25-1:2452 4.50 (# 2452:25 Single Ambig)
&rst
ixpk= 2452, nxpk= 25, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 625, 613,
&end
#
# 40 GLN HN 39 ASP HB+ 4.50 (# 2454:25 Preassigned 3.09, 3.68 A)
&rst
ixpk= 2454, nxpk= 25, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 615, 616,
&end
#
# 38 PRO HA 39 ASP HB+ 7.00 (# 2455:25 Preassigned 5.59, 6.18 A)
&rst
ixpk= 2455, nxpk= 25, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 615, 616,
&end
#
# 0 AMB 25-3:2456 0 AMB 25-1:2456 7.00 (# 2456:25 Double Ambig)
&rst
ixpk= 2456, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=14.00, r4=14.50,
igr1=1227,1228, 598, 599, 598, 599,1220,1221,
igr2= 615, 616, 615, 616, 615, 616, 615, 616,
&end
#
# 0 AMB 25-3:2457 0 AMB 25-1:2457 4.50 (# 2457:25 Double Ambig)
&rst
ixpk= 2457, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 590, 591, 627, 628,
igr2= 615, 616, 615, 616,
&end
#
# 0 AMB 25-3:2458 0 AMB 25-1:2458 5.50 (# 2458:25 Double Ambig)
&rst
ixpk= 2458, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 587, 588, 604, 605,
igr2= 615, 616, 615, 616,
&end
#
# 38 PRO HG- 39 ASP HB- 7.00 (# 2459:25 Preassigned 3.41, 5.49 A)
&rst
ixpk= 2459, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 601, 602,
igr2= 615, 616,
&end
#
# 0 AMB 25-3:2460 39 ASP HB- 4.50 (# 2460:25 Single Ambig)
&rst
ixpk= 2460, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 587, 588, 604, 605,
igr2= 615, 616,
&end
#
# 38 PRO HG+ 39 ASP HB- 5.50 (# 2461:25 Preassigned 3.41, 5.49 A)
&rst
ixpk= 2461, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 601, 602,
igr2= 615, 616,
&end
#
# 38 PRO HG+ 39 ASP HB+ 5.50 (# 2462:25 Preassigned 3.41, 5.49 A)
&rst
ixpk= 2462, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 601, 602,
igr2= 615, 616,
&end
#
# 0 AMB 25-3:2463 39 ASP HB- 4.50 (# 2463:25 Single Ambig)
&rst
ixpk= 2463, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 590, 591, 627, 628,
igr2= 615, 616,
&end
#
# 40 GLN HN 39 ASP HB- 4.50 (# 2464:25 Preassigned 3.09, 3.68 A)
&rst
ixpk= 2464, nxpk= 25, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 615, 616,
&end
#
# 0 AMB 25-3:2465 39 ASP HA 5.50 (# 2465:25 Single Ambig)
&rst
ixpk= 2465, nxpk= 25, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1227,1228,1220,1221,
&end
#
# 0 AMB 25-3:2466 39 ASP HA 4.50 (# 2466:25 Single Ambig)
&rst
ixpk= 2466, nxpk= 25, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 604, 605, 587, 588,
&end
#
# 0 AMB 25-3:2467 0 AMB 25-1:2467 4.50 (# 2467:25 Double Ambig)
&rst
ixpk= 2467, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 570, 571, 572,1141,1142,1143,1145,1146,1147,
igr2= 627, 628, 627, 628,
&end
#
# 0 AMB 25-3:2468 0 AMB 25-1:2468 4.50 (# 2468:25 Double Ambig)
&rst
ixpk= 2468, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1198,1199,1201,1202,1201,1202,
igr2= 627, 628, 627, 628, 627, 628,
&end
#
# 37 PRO HD- 40 GLN HB+ 5.50 (# 2469:25 Preassigned 3.25, 4.88 A)
&rst
ixpk= 2469, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 584, 585,
igr2= 627, 628,
&end
#
# 40 GLN HA 40 GLN HB+ 3.50 (# 2470:25 Preassigned 2.35, 2.70 A)
&rst
ixpk= 2470, nxpk= 25, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 627, 628,
&end
#
# 41 GLN HN 40 GLN HB+ 5.50 (# 2471:25 Preassigned 3.90, 4.24 A)
&rst
ixpk= 2471, nxpk= 25, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 627, 628,
&end
#
# 0 AMB 25-3:2472 0 AMB 25-1:2472 4.50 (# 2472:25 Double Ambig)
&rst
ixpk= 2472, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 635, 636, 623,
igr2= 627, 628, 627, 628,
&end
#
# 74 ARG HN 40 GLN HB+ 5.50 (# 2473:25 Preassigned 2.56, 3.54 A)
&rst
ixpk= 2473, nxpk= 25, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 627, 628,
&end
#
# 0 AMB 25-3:2474 40 GLN HB- 4.50 (# 2474:25 Single Ambig)
&rst
ixpk= 2474, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 570, 571, 572,1141,1142,1143,1145,1146,1147,
igr2= 627, 628,
&end
#
# 37 PRO HD- 40 GLN HB- 5.50 (# 2475:25 Preassigned 3.25, 4.88 A)
&rst
ixpk= 2475, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 584, 585,
igr2= 627, 628,
&end
#
# 37 PRO HD+ 40 GLN HB- 5.50 (# 2476:25 Preassigned 3.25, 4.88 A)
&rst
ixpk= 2476, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 584, 585,
igr2= 627, 628,
&end
#
# 41 GLN HN 40 GLN HB- 5.50 (# 2477:25 Preassigned 3.90, 4.24 A)
&rst
ixpk= 2477, nxpk= 25, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 627, 628,
&end
#
# 0 AMB 25-3:2478 40 GLN HB- 3.50 (# 2478:25 Single Ambig)
&rst
ixpk= 2478, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 635, 636, 623,
igr2= 627, 628,
&end
#
# 74 ARG HN 40 GLN HB- 5.50 (# 2479:25 Unique 2.56, 3.54 A)
&rst
ixpk= 2479, nxpk= 25, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 627, 628,
&end
#
# 73 LEU HN 0 AMB 25-1:2480 4.50 (# 2480:25 Single Ambig)
&rst
ixpk= 2480, nxpk= 25, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 630, 631, 630, 631,
&end
#
# 41 GLN HN 0 AMB 25-1:2481 4.50 (# 2481:25 Single Ambig)
&rst
ixpk= 2481, nxpk= 25, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 630, 631, 630, 631,
&end
#
# 40 GLN HE2- 0 AMB 25-1:2482 4.50 (# 2482:25 Single Ambig)
&rst
ixpk= 2482, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 635, 636,
igr2= 630, 631, 630, 631,
&end
#
# 0 AMB 25-3:2484 0 AMB 25-1:2484 4.50 (# 2484:25 Double Ambig)
&rst
ixpk= 2484, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 584, 585, 584, 585,
igr2= 630, 631, 630, 631,
&end
#
# 37 PRO HD- 0 AMB 25-1:2486 4.50 (# 2486:25 Single Ambig)
&rst
ixpk= 2486, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 584, 585,
igr2= 630, 631, 630, 631,
&end
#
# 0 AMB 25-3:2488 0 AMB 25-1:2488 5.50 (# 2488:25 Double Ambig)
&rst
ixpk= 2488, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 615, 616, 615, 616,
igr2= 630, 631, 630, 631,
&end
#
# 0 AMB 25-3:2489 0 AMB 25-1:2489 3.50 (# 2489:25 Double Ambig)
&rst
ixpk= 2489, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 587, 588, 587, 588,
igr2= 630, 631, 630, 631,
&end
#
# 0 AMB 25-3:2490 0 AMB 25-1:2490 4.50 (# 2490:25 Double Ambig)
&rst
ixpk= 2490, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1198,1199,1201,1202,1201,1202,
igr2= 630, 631, 630, 631, 630, 631, 630, 631,
&end
#
# 36 ILE QG2 0 AMB 25-1:2491 3.50 (# 2491:25 Single Ambig)
&rst
ixpk= 2491, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 570, 571, 572,
igr2= 630, 631, 630, 631,
&end
#
# 0 AMB 25-3:2492 0 AMB 25-1:2492 7.00 (# 2492:25 Double Ambig)
&rst
ixpk= 2492, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.61, r4=14.11,
igr1=1141,1142,1143,1145,1146,1147, 570, 571, 572,
igr2= 630, 631, 630, 631, 630, 631,
&end
#
# 69 LEU QD- 41 GLN HA 4.50 (# 2493:25 Preassigned 3.89, 5.41 A)
&rst
ixpk= 2493, nxpk= 25, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 0 AMB 25-3:2494 41 GLN HA 3.50 (# 2494:25 Single Ambig)
&rst
ixpk= 2494, nxpk= 25, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 661, 662, 425, 426, 428, 429,1158,1159,1158,1159,
&end
#
# 41 GLN HG+ 41 GLN HA 4.50 (# 2495:25 Preassigned 2.53, 2.87 A)
&rst
ixpk= 2495, nxpk= 25, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 647, 648,
&end
#
# 0 AMB 25-3:2496 41 GLN HA 5.50 (# 2496:25 Single Ambig)
&rst
ixpk= 2496, nxpk= 25, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1153,1118,
&end
#
# 41 GLN HE2+ 41 GLN HA 5.50 (# 2498:25 Preassigned 4.49, 5.25 A)
&rst
ixpk= 2498, nxpk= 25, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 652, 653,
&end
#
# 41 GLN HN 41 GLN HA 4.50 (# 2499:25 Preassigned 2.94, 2.94 A)
&rst
ixpk= 2499, nxpk= 25, iat= 640, 642, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 ARG HN 41 GLN HA 7.00 (# 2500:25 Unique 5.58, 5.62 A)
&rst
ixpk= 2500, nxpk= 25, iat=1194, 642, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 70 VAL HN 41 GLN HA 5.50 (# 2501:25 Preassigned 4.50, 4.66 A)
&rst
ixpk= 2501, nxpk= 25, iat=1116, 642, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ARG HN 0 AMB 25-1:2503 5.50 (# 2503:25 Single Ambig)
&rst
ixpk= 2503, nxpk= 25, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 644, 645, 644, 645,
&end
#
# 62 GLN HN 0 AMB 25-1:2504 3.50 (# 2504:25 Single Ambig)
&rst
ixpk= 2504, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 986, 987, 986, 987,
&end
#
# 41 GLN HN 0 AMB 25-1:2505 4.50 (# 2505:25 Single Ambig)
&rst
ixpk= 2505, nxpk= 25, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 644, 645, 644, 645,
&end
#
# 27 LYS HA 0 AMB 25-1:2506 5.50 (# 2506:25 Single Ambig)
&rst
ixpk= 2506, nxpk= 25, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 644, 645, 644, 645,
&end
#
# 0 AMB 25-3:2508 0 AMB 25-1:2508 4.50 (# 2508:25 Double Ambig)
&rst
ixpk= 2508, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 607, 642,
igr2= 644, 645, 644, 645, 644, 645,
&end
#
# 0 AMB 25-3:2509 0 AMB 25-1:2509 5.50 (# 2509:25 Double Ambig)
&rst
ixpk= 2509, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1001,1040,1041,1040,1041,
igr2= 986, 987, 986, 987, 986, 987,
&end
#
# 0 AMB 25-3:2512 0 AMB 25-1:2512 4.50 (# 2512:25 Double Ambig)
&rst
ixpk= 2512, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 647, 648, 647, 648,
igr2= 644, 645, 644, 645,
&end
#
# 0 AMB 25-3:2513 0 AMB 25-1:2513 3.50 (# 2513:25 Double Ambig)
&rst
ixpk= 2513, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 604, 605, 604, 605,
igr2= 644, 645, 644, 645,
&end
#
# 0 AMB 25-3:2514 0 AMB 25-1:2514 4.50 (# 2514:25 Double Ambig)
&rst
ixpk= 2514, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1106,1107,1108,1110,1111,1112,1106,1107,1108,1110,
1111,1112,
igr2= 644, 645, 644, 645,
&end
#
# 41 GLN HN 42 ARG HB+ 5.50 (# 2515:25 Preassigned 5.14, 5.68 A)
&rst
ixpk= 2515, nxpk= 25, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 661, 662,
&end
#
# 0 AMB 25-3:2516 0 AMB 25-1:2516 5.50 (# 2516:25 Double Ambig)
&rst
ixpk= 2516, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 607, 642,
igr2= 482, 483, 482, 483,
&end
#
# 0 AMB 25-3:2517 0 AMB 25-1:2517 4.50 (# 2517:25 Double Ambig)
&rst
ixpk= 2517, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 422, 423, 422, 423,
igr2= 644, 645, 644, 645,
&end
#
# 69 LEU QD- 41 GLN HG+ 4.50 (# 2518:25 Preassigned 1.95, 4.20 A)
&rst
ixpk= 2518, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1106,1107,1108,1110,1111,1112,
igr2= 647, 648,
&end
#
# 36 ILE QG2 41 GLN HG+ 4.50 (# 2519:25 Preassigned 2.51, 4.28 A)
&rst
ixpk= 2519, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 570, 571, 572,
igr2= 647, 648,
&end
#
# 69 LEU QD+ 41 GLN HG+ 4.50 (# 2520:25 Preassigned 1.95, 4.20 A)
&rst
ixpk= 2520, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1106,1107,1108,1110,1111,1112,
igr2= 647, 648,
&end
#
# 0 AMB 25-3:2521 0 AMB 25-1:2521 4.50 (# 2521:25 Double Ambig)
&rst
ixpk= 2521, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 568, 425, 426,
igr2= 647, 648, 647, 648,
&end
#
# 0 AMB 25-3:2522 0 AMB 25-1:2522 4.50 (# 2522:25 Double Ambig)
&rst
ixpk= 2522, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 644, 645, 644, 645,
igr2= 647, 648, 647, 648,
&end
#
# 0 AMB 25-3:2523 0 AMB 25-1:2523 4.50 (# 2523:25 Double Ambig)
&rst
ixpk= 2523, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 422, 423, 482, 483, 495, 496,
igr2= 647, 648, 647, 648, 647, 648,
&end
#
# 41 GLN HA 41 GLN HG+ 4.50 (# 2524:25 Unique 2.53, 2.87 A)
&rst
ixpk= 2524, nxpk= 25, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 647, 648,
&end
#
# 41 GLN HE2+ 41 GLN HG+ 4.50 (# 2525:25 Preassigned 2.61, 3.51 A)
&rst
ixpk= 2525, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 652, 653,
igr2= 647, 648,
&end
#
# 41 GLN HE2- 41 GLN HG+ 4.50 (# 2526:25 Preassigned 2.61, 3.51 A)
&rst
ixpk= 2526, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 652, 653,
igr2= 647, 648,
&end
#
# 41 GLN HN 41 GLN HG+ 4.50 (# 2527:25 Preassigned 4.35, 4.60 A)
&rst
ixpk= 2527, nxpk= 25, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 647, 648,
&end
#
# 40 GLN HN 41 GLN HG+ 7.00 (# 2528:25 Preassigned 6.12, 6.18 A)
&rst
ixpk= 2528, nxpk= 25, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 647, 648,
&end
#
# 42 ARG HN 41 GLN HG+ 5.50 (# 2529:25 Preassigned 3.25, 3.86 A)
&rst
ixpk= 2529, nxpk= 25, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 647, 648,
&end
#
# 0 AMB 25-3:2530 42 ARG HA 4.50 (# 2530:25 Single Ambig)
&rst
ixpk= 2530, nxpk= 25, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
695, 696,
&end
#
# 0 AMB 25-3:2531 42 ARG HA 5.50 (# 2531:25 Single Ambig)
&rst
ixpk= 2531, nxpk= 25, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1122,1123,1124,1126,1127,1128, 710, 711,
&end
#
# 43 LEU HB+ 42 ARG HA 5.50 (# 2532:25 Preassigned 4.04, 4.76 A)
&rst
ixpk= 2532, nxpk= 25, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 685, 686,
&end
#
# 0 AMB 25-3:2533 42 ARG HA 4.50 (# 2533:25 Single Ambig)
&rst
ixpk= 2533, nxpk= 25, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 785, 786, 785, 786,
&end
#
# 27 LYS HE- 42 ARG HA 5.50 (# 2534:25 Preassigned 1.97, 3.04 A)
&rst
ixpk= 2534, nxpk= 25, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 431, 432,
&end
#
# 42 ARG HD+ 42 ARG HA 4.50 (# 2535:25 Preassigned 3.26, 4.16 A)
&rst
ixpk= 2535, nxpk= 25, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 667, 668,
&end
#
# 41 GLN HA 42 ARG HA 5.50 (# 2536:25 Preassigned 4.42, 4.43 A)
&rst
ixpk= 2536, nxpk= 25, iat= 642, 659, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 LEU HA 42 ARG HA 5.50 (# 2538:25 Preassigned 4.36, 4.38 A)
&rst
ixpk= 2538, nxpk= 25, iat= 683, 659, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ARG HN 42 ARG HA 3.50 (# 2539:25 Preassigned 2.90, 2.91 A)
&rst
ixpk= 2539, nxpk= 25, iat= 657, 659, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:2540 0 AMB 25-1:2540 3.50 (# 2540:25 Double Ambig)
&rst
ixpk= 2540, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 664, 665, 664, 665,
igr2= 661, 662, 661, 662,
&end
#
# 42 ARG HN 42 ARG HB+ 4.50 (# 2542:25 Preassigned 2.22, 2.64 A)
&rst
ixpk= 2542, nxpk= 25, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 661, 662,
&end
#
# 42 ARG HD- 42 ARG HB+ 4.50 (# 2543:25 Preassigned 1.94, 2.94 A)
&rst
ixpk= 2543, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 667, 668,
igr2= 661, 662,
&end
#
# 70 VAL HN 42 ARG HB+ 5.50 (# 2544:25 Preassigned 4.29, 5.05 A)
&rst
ixpk= 2544, nxpk= 25, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 661, 662,
&end
#
# 43 LEU HN 42 ARG HB+ 5.50 (# 2545:25 Unique 3.52, 3.89 A)
&rst
ixpk= 2545, nxpk= 25, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 661, 662,
&end
#
# 70 VAL HN 0 AMB 25-1:2547 5.50 (# 2547:25 Single Ambig)
&rst
ixpk= 2547, nxpk= 25, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 664, 665, 664, 665,
&end
#
# 43 LEU HN 0 AMB 25-1:2548 4.50 (# 2548:25 Single Ambig)
&rst
ixpk= 2548, nxpk= 25, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 664, 665, 664, 665,
&end
#
# 50 LEU HN 50 LEU HG 4.50 (# 2549:25 Preassigned 1.93, 2.39 A)
&rst
ixpk= 2549, nxpk= 25, iat= 795, 802, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 ARG HN 0 AMB 25-1:2550 4.50 (# 2550:25 Single Ambig)
&rst
ixpk= 2550, nxpk= 25, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 664, 665, 664, 665,
&end
#
# 0 AMB 25-3:2551 0 AMB 25-1:2551 5.50 (# 2551:25 Double Ambig)
&rst
ixpk= 2551, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 790, 791, 790, 791,
igr2= 664, 665, 664, 665,
&end
#
# 42 ARG HE 0 AMB 25-1:2552 5.50 (# 2552:25 Single Ambig)
&rst
ixpk= 2552, nxpk= 25, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 664, 665, 664, 665,
&end
#
# 42 ARG HA 0 AMB 25-1:2553 3.50 (# 2553:25 Single Ambig)
&rst
ixpk= 2553, nxpk= 25, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 664, 665, 664, 665,
&end
#
# 0 AMB 25-3:2554 0 AMB 25-1:2554 5.50 (# 2554:25 Double Ambig)
&rst
ixpk= 2554, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1153,1118,
igr2= 664, 665, 664, 665, 664, 665,
&end
#
# 42 ARG HD- 0 AMB 25-1:2555 2.80 (# 2555:25 Single Ambig)
&rst
ixpk= 2555, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 667, 668,
igr2= 664, 665, 664, 665,
&end
#
# 0 AMB 25-3:2556 0 AMB 25-1:2556 5.50 (# 2556:25 Double Ambig)
&rst
ixpk= 2556, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 785, 786, 785, 786, 785, 786,
igr2= 664, 665, 664, 665, 664, 665,
&end
#
# 0 AMB 25-3:2557 0 AMB 25-1:2557 3.50 (# 2557:25 Double Ambig)
&rst
ixpk= 2557, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 661, 662, 661, 662,1120,
igr2= 664, 665, 664, 665, 664, 665,
&end
#
# 42 ARG HB- 0 AMB 25-1:2558 3.50 (# 2558:25 Single Ambig)
&rst
ixpk= 2558, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 661, 662,
igr2= 664, 665, 664, 665,
&end
#
# 0 AMB 25-3:2559 0 AMB 25-1:2559 4.50 (# 2559:25 Double Ambig)
&rst
ixpk= 2559, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1122,1123,1124,1126,1127,1128, 710, 711,
igr2= 664, 665, 664, 665, 664, 665,
&end
#
# 0 AMB 25-3:2560 0 AMB 25-1:2560 4.50 (# 2560:25 Double Ambig)
&rst
ixpk= 2560, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1122,1123,1124,1126,1127,1128,1122,1123,1124,1126,
1127,1128,
igr2= 664, 665, 664, 665,
&end
#
# 50 LEU QD+ 50 LEU HG 3.50 (# 2561:25 Preassigned 2.22, 2.63 A)
&rst
ixpk= 2561, nxpk= 25, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 804, 805, 806, 808, 809, 810,
&end
#
# 50 LEU QD- 50 LEU HG 4.50 (# 2562:25 Preassigned 2.22, 2.63 A)
&rst
ixpk= 2562, nxpk= 25, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 804, 805, 806, 808, 809, 810,
&end
#
# 44 ILE QD1 42 ARG HD- 5.50 (# 2563:25 Preassigned 3.86, 6.89 A)
&rst
ixpk= 2563, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 713, 714, 715,
igr2= 667, 668,
&end
#
# 44 ILE QD1 42 ARG HD+ 5.50 (# 2564:25 Preassigned 3.86, 6.89 A)
&rst
ixpk= 2564, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 713, 714, 715,
igr2= 667, 668,
&end
#
# 70 VAL QG+ 42 ARG HD+ 4.50 (# 2565:25 Preassigned 2.16, 6.17 A)
&rst
ixpk= 2565, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1122,1123,1124,1126,1127,1128,
igr2= 667, 668,
&end
#
# 70 VAL QG+ 42 ARG HD- 5.50 (# 2566:25 Preassigned 2.16, 6.17 A)
&rst
ixpk= 2566, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1122,1123,1124,1126,1127,1128,
igr2= 667, 668,
&end
#
# 70 VAL QG- 42 ARG HD- 4.50 (# 2567:25 Preassigned 2.16, 6.17 A)
&rst
ixpk= 2567, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1122,1123,1124,1126,1127,1128,
igr2= 667, 668,
&end
#
# 70 VAL QG- 42 ARG HD+ 4.50 (# 2568:25 Preassigned 2.16, 6.17 A)
&rst
ixpk= 2568, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1122,1123,1124,1126,1127,1128,
igr2= 667, 668,
&end
#
# 42 ARG HB+ 42 ARG HD+ 3.50 (# 2571:25 Unique 1.94, 2.94 A)
&rst
ixpk= 2571, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 661, 662,
igr2= 667, 668,
&end
#
# 42 ARG HB+ 42 ARG HD- 4.50 (# 2572:25 Unique 1.94, 2.94 A)
&rst
ixpk= 2572, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 661, 662,
igr2= 667, 668,
&end
#
# 0 AMB 25-3:2573 42 ARG HD- 5.50 (# 2573:25 Single Ambig)
&rst
ixpk= 2573, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 785, 786, 785, 786,
igr2= 667, 668,
&end
#
# 0 AMB 25-3:2574 0 AMB 25-1:2574 5.50 (# 2574:25 Double Ambig)
&rst
ixpk= 2574, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 785, 786, 785, 786,
igr2= 667, 668, 667, 668,
&end
#
# 72 ARG HA 42 ARG HD- 5.50 (# 2575:25 Unique 1.99, 3.18 A)
&rst
ixpk= 2575, nxpk= 25, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 667, 668,
&end
#
# 72 ARG HA 42 ARG HD+ 5.50 (# 2576:25 Unique 1.99, 3.18 A)
&rst
ixpk= 2576, nxpk= 25, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 667, 668,
&end
#
# 42 ARG HA 42 ARG HD+ 4.50 (# 2577:25 Preassigned 3.26, 4.16 A)
&rst
ixpk= 2577, nxpk= 25, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 667, 668,
&end
#
# 42 ARG HA 42 ARG HD- 5.50 (# 2578:25 Preassigned 3.26, 4.16 A)
&rst
ixpk= 2578, nxpk= 25, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 667, 668,
&end
#
# 42 ARG HE 42 ARG HD- 5.50 (# 2579:25 Unique 2.27, 2.73 A)
&rst
ixpk= 2579, nxpk= 25, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 667, 668,
&end
#
# 42 ARG HE 42 ARG HD+ 5.50 (# 2580:25 Unique 2.27, 2.73 A)
&rst
ixpk= 2580, nxpk= 25, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 667, 668,
&end
#
# 49 GLN HE2+ 42 ARG HD+ 5.50 (# 2581:25 Preassigned 1.92, 4.02 A)
&rst
ixpk= 2581, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 790, 791,
igr2= 667, 668,
&end
#
# 49 GLN HE2+ 42 ARG HD- 5.50 (# 2582:25 Preassigned 1.92, 4.02 A)
&rst
ixpk= 2582, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 790, 791,
igr2= 667, 668,
&end
#
# 42 ARG HN 42 ARG HD- 5.50 (# 2583:25 Preassigned 4.30, 5.05 A)
&rst
ixpk= 2583, nxpk= 25, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 667, 668,
&end
#
# 42 ARG HN 42 ARG HD+ 5.50 (# 2584:25 Preassigned 4.30, 5.05 A)
&rst
ixpk= 2584, nxpk= 25, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 667, 668,
&end
#
# 43 LEU HN 42 ARG HD+ 5.50 (# 2585:25 Preassigned 4.40, 4.81 A)
&rst
ixpk= 2585, nxpk= 25, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 667, 668,
&end
#
# 43 LEU HN 42 ARG HD- 7.00 (# 2586:25 Preassigned 4.40, 4.81 A)
&rst
ixpk= 2586, nxpk= 25, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 667, 668,
&end
#
# 45 PHE HN 45 PHE HB+ 4.50 (# 2587:25 Unique 2.75, 2.99 A)
&rst
ixpk= 2587, nxpk= 25, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 723, 724,
&end
#
# 0 AMB 25-3:2588 0 AMB 25-1:2588 3.50 (# 2588:25 Double Ambig)
&rst
ixpk= 2588, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 735, 727,
igr2= 723, 724, 723, 724,
&end
#
# 45 PHE HA 45 PHE HB+ 3.50 (# 2589:25 Preassigned 2.48, 2.76 A)
&rst
ixpk= 2589, nxpk= 25, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 723, 724,
&end
#
# 67 LEU HA 45 PHE HB+ 4.50 (# 2590:25 Preassigned 3.60, 4.55 A)
&rst
ixpk= 2590, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 723, 724,
&end
#
# 67 LEU HG 45 PHE HB+ 4.50 (# 2591:25 Unique 3.27, 4.27 A)
&rst
ixpk= 2591, nxpk= 25, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 723, 724,
&end
#
# 46 ALA QB 45 PHE HB+ 5.50 (# 2592:25 Preassigned 4.07, 5.65 A)
&rst
ixpk= 2592, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 743, 744, 745,
igr2= 723, 724,
&end
#
# 0 AMB 25-3:2593 0 AMB 25-1:2593 4.50 (# 2593:25 Double Ambig)
&rst
ixpk= 2593, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
1075,1076,
igr2= 723, 724, 723, 724,
&end
#
# 50 LEU QD+ 45 PHE HB+ 3.50 (# 2594:25 Preassigned 1.91, 3.48 A)
&rst
ixpk= 2594, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 723, 724,
&end
#
# 50 LEU QD- 45 PHE HB+ 4.50 (# 2595:25 Preassigned 1.91, 3.48 A)
&rst
ixpk= 2595, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 723, 724,
&end
#
# 50 LEU QD+ 43 LEU HA 5.50 (# 2596:25 Preassigned 3.86, 5.96 A)
&rst
ixpk= 2596, nxpk= 25, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 804, 805, 806, 808, 809, 810,
&end
#
# 0 AMB 25-3:2597 43 LEU HA 4.50 (# 2597:25 Single Ambig)
&rst
ixpk= 2597, nxpk= 25, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=1106,1107,1108,1110,1111,1112,1070,1071,1072,1074,
1075,1076, 83, 84, 85, 87, 88, 89, 83, 84,
85, 87, 88, 89, 482, 483, 478, 479, 480,
&end
#
# 0 AMB 25-3:2598 43 LEU HA 3.50 (# 2598:25 Single Ambig)
&rst
ixpk= 2598, nxpk= 25, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
695, 696,
&end
#
# 44 ILE HG1- 43 LEU HA 4.50 (# 2599:25 Preassigned 3.73, 4.65 A)
&rst
ixpk= 2599, nxpk= 25, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 710, 711,
&end
#
# 43 LEU HB+ 43 LEU HA 3.50 (# 2600:25 Preassigned 2.80, 2.84 A)
&rst
ixpk= 2600, nxpk= 25, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 685, 686,
&end
#
# 0 AMB 25-3:2601 43 LEU HA 3.50 (# 2601:25 Single Ambig)
&rst
ixpk= 2601, nxpk= 25, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 688, 685, 686, 664, 665,
&end
#
# 44 ILE HB 43 LEU HA 4.50 (# 2602:25 Preassigned 4.32, 4.39 A)
&rst
ixpk= 2602, nxpk= 25, iat= 704, 683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2603 43 LEU HA 5.50 (# 2603:25 Single Ambig)
&rst
ixpk= 2603, nxpk= 25, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1120, 661, 662,
&end
#
# 0 AMB 25-3:2604 43 LEU HA 5.50 (# 2604:25 Single Ambig)
&rst
ixpk= 2604, nxpk= 25, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 431, 432,1084,1085,
&end
#
# 68 HIS HB+ 43 LEU HA 5.50 (# 2605:25 Preassigned 4.84, 5.26 A)
&rst
ixpk= 2605, nxpk= 25, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1084,1085,
&end
#
# 42 ARG HA 43 LEU HA 4.50 (# 2606:25 Preassigned 4.36, 4.38 A)
&rst
ixpk= 2606, nxpk= 25, iat= 659, 683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ILE HA 43 LEU HA 5.50 (# 2607:25 Preassigned 4.39, 4.41 A)
&rst
ixpk= 2607, nxpk= 25, iat= 702, 683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 LEU HA 43 LEU HA 4.50 (# 2608:25 Preassigned 3.17, 3.37 A)
&rst
ixpk= 2608, nxpk= 25, iat=1099, 683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 LEU HN 43 LEU HA 7.00 (# 2609:25 Preassigned 4.67, 4.76 A)
&rst
ixpk= 2609, nxpk= 25, iat= 795, 683, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 43 LEU HN 43 LEU HA 4.50 (# 2610:25 Preassigned 2.91, 2.94 A)
&rst
ixpk= 2610, nxpk= 25, iat= 681, 683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 HIS HN 43 LEU HA 4.50 (# 2611:25 Preassigned 4.49, 4.56 A)
&rst
ixpk= 2611, nxpk= 25, iat=1080, 683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ILE HN 43 LEU HA 3.50 (# 2612:25 Preassigned 2.14, 2.20 A)
&rst
ixpk= 2612, nxpk= 25, iat= 700, 683, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 ILE HN 43 LEU HB- 4.50 (# 2613:25 Preassigned 3.16, 3.85 A)
&rst
ixpk= 2613, nxpk= 25, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 685, 686,
&end
#
# 43 LEU HN 43 LEU HB- 4.50 (# 2614:25 Preassigned 2.15, 2.80 A)
&rst
ixpk= 2614, nxpk= 25, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 685, 686,
&end
#
# 50 LEU HN 43 LEU HB- 5.50 (# 2615:25 Preassigned 3.26, 3.75 A)
&rst
ixpk= 2615, nxpk= 25, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 685, 686,
&end
#
# 0 AMB 25-3:2616 43 LEU HB- 5.50 (# 2616:25 Single Ambig)
&rst
ixpk= 2616, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1099, 721,1082,
igr2= 685, 686,
&end
#
# 43 LEU HA 43 LEU HB- 4.50 (# 2617:25 Preassigned 2.80, 2.84 A)
&rst
ixpk= 2617, nxpk= 25, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 685, 686,
&end
#
# 0 AMB 25-3:2618 43 LEU HB- 5.50 (# 2618:25 Single Ambig)
&rst
ixpk= 2618, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 659, 816,
igr2= 685, 686,
&end
#
# 0 AMB 25-3:2619 43 LEU HB- 5.50 (# 2619:25 Single Ambig)
&rst
ixpk= 2619, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 364, 365,1120, 661, 662,
igr2= 685, 686,
&end
#
# 23 ILE HG1- 43 LEU HB- 5.50 (# 2620:25 Unique 4.31, 5.24 A)
&rst
ixpk= 2620, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 364, 365,
igr2= 685, 686,
&end
#
# 0 AMB 25-3:2621 43 LEU HB- 3.50 (# 2621:25 Single Ambig)
&rst
ixpk= 2621, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
695, 696, 360, 361, 362,
igr2= 685, 686,
&end
#
# 50 LEU QD+ 43 LEU HB- 3.50 (# 2622:25 Preassigned 1.87, 4.34 A)
&rst
ixpk= 2622, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 685, 686,
&end
#
# 50 LEU QD- 43 LEU HB- 7.00 (# 2623:25 Preassigned 1.87, 4.34 A)
&rst
ixpk= 2623, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 685, 686,
&end
#
# 50 LEU QD- 43 LEU HB+ 7.00 (# 2624:25 Preassigned 1.87, 4.34 A)
&rst
ixpk= 2624, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 685, 686,
&end
#
# 23 ILE HG1- 43 LEU HB+ 5.50 (# 2625:25 Unique 4.31, 5.24 A)
&rst
ixpk= 2625, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 364, 365,
igr2= 685, 686,
&end
#
# 0 AMB 25-3:2626 0 AMB 25-1:2626 5.50 (# 2626:25 Double Ambig)
&rst
ixpk= 2626, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 364, 365, 422, 423, 661, 662,
igr2= 685, 686, 685, 686, 685, 686,
&end
#
# 0 AMB 25-3:2627 0 AMB 25-1:2627 5.50 (# 2627:25 Double Ambig)
&rst
ixpk= 2627, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1099, 721,1082,
igr2= 685, 686, 685, 686, 685, 686,
&end
#
# 50 LEU HN 43 LEU HB+ 5.50 (# 2628:25 Preassigned 3.26, 3.75 A)
&rst
ixpk= 2628, nxpk= 25, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 685, 686,
&end
#
# 44 ILE HN 43 LEU HB+ 4.50 (# 2629:25 Preassigned 3.16, 3.85 A)
&rst
ixpk= 2629, nxpk= 25, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 685, 686,
&end
#
# 7 THR HN 69 LEU QD- 5.50 (# 2630:25 Unique 4.55, 6.81 A)
&rst
ixpk= 2630, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 43 LEU HA 69 LEU QD- 4.50 (# 2631:25 Preassigned 4.26, 6.24 A)
&rst
ixpk= 2631, nxpk= 25, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1106,1107,1108,1110,1111,1112,
&end
#
# 23 ILE HA 56 LEU QD- 5.50 (# 2632:25 Preassigned 3.25, 5.45 A)
&rst
ixpk= 2632, nxpk= 25, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 43 LEU HB+ 43 LEU QD+ 3.50 (# 2634:25 Preassigned 2.37, 3.31 A)
&rst
ixpk= 2634, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 685, 686,
igr2= 690, 691, 692, 694, 695, 696,
&end
#
# 43 LEU HG 43 LEU QD+ 2.80 (# 2635:25 Preassigned 2.22, 2.63 A)
&rst
ixpk= 2635, nxpk= 25, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 690, 691, 692, 694, 695, 696,
&end
#
# 69 LEU HA 43 LEU QD+ 3.50 (# 2636:25 Preassigned 2.53, 4.98 A)
&rst
ixpk= 2636, nxpk= 25, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 690, 691, 692, 694, 695, 696,
&end
#
# 43 LEU HN 43 LEU QD+ 4.50 (# 2637:25 Preassigned 3.01, 4.67 A)
&rst
ixpk= 2637, nxpk= 25, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 690, 691, 692, 694, 695, 696,
&end
#
# 44 ILE HN 43 LEU QD+ 3.50 (# 2638:25 Preassigned 3.96, 5.12 A)
&rst
ixpk= 2638, nxpk= 25, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 690, 691, 692, 694, 695, 696,
&end
#
# 69 LEU HN 43 LEU QD+ 5.50 (# 2639:25 Preassigned 4.94, 7.22 A)
&rst
ixpk= 2639, nxpk= 25, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 690, 691, 692, 694, 695, 696,
&end
#
# 27 LYS HE- 43 LEU QD+ 5.50 (# 2640:25 Preassigned 2.23, 3.60 A)
&rst
ixpk= 2640, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 431, 432,
igr2= 690, 691, 692, 694, 695, 696,
&end
#
# 0 AMB 25-3:2641 0 AMB 25-1:2641 5.50 (# 2641:25 Double Ambig)
&rst
ixpk= 2641, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 406, 476,
igr2= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
695, 696,
&end
#
# 44 ILE HN 44 ILE HA 4.50 (# 2642:25 Preassigned 2.94, 2.94 A)
&rst
ixpk= 2642, nxpk= 25, iat= 700, 702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 PHE HN 44 ILE HA 3.50 (# 2643:25 Preassigned 2.18, 2.20 A)
&rst
ixpk= 2643, nxpk= 25, iat= 719, 702, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 LEU HN 44 ILE HA 4.50 (# 2644:25 Preassigned 2.80, 2.91 A)
&rst
ixpk= 2644, nxpk= 25, iat= 795, 702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 LYS HN 44 ILE HA 5.50 (# 2645:25 Preassigned 4.55, 4.63 A)
&rst
ixpk= 2645, nxpk= 25, iat= 756, 702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2646 44 ILE HA 5.50 (# 2646:25 Single Ambig)
&rst
ixpk= 2646, nxpk= 25, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 721,1099,
&end
#
# 49 GLN HA 44 ILE HA 3.50 (# 2647:25 Preassigned 1.93, 2.06 A)
&rst
ixpk= 2647, nxpk= 25, iat= 780, 702, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:2648 44 ILE HA 4.50 (# 2648:25 Single Ambig)
&rst
ixpk= 2648, nxpk= 25, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 782, 783, 760, 761, 760, 761,1120,
&end
#
# 44 ILE HB 44 ILE HA 4.50 (# 2649:25 Preassigned 2.98, 3.00 A)
&rst
ixpk= 2649, nxpk= 25, iat= 704, 702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2650 44 ILE HA 4.50 (# 2650:25 Single Ambig)
&rst
ixpk= 2650, nxpk= 25, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 802, 664, 665, 664, 665, 763, 764, 763, 764,
&end
#
# 44 ILE HG1+ 44 ILE HA 4.50 (# 2651:25 Preassigned 2.23, 2.65 A)
&rst
ixpk= 2651, nxpk= 25, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 710, 711,
&end
#
# 44 ILE HG1- 44 ILE HA 4.50 (# 2652:25 Preassigned 2.23, 2.65 A)
&rst
ixpk= 2652, nxpk= 25, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 710, 711,
&end
#
# 44 ILE QG2 44 ILE HA 3.50 (# 2653:25 Unique 2.57, 3.26 A)
&rst
ixpk= 2653, nxpk= 25, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 706, 707, 708,
&end
#
# 50 LEU QD+ 44 ILE HA 5.50 (# 2654:25 Preassigned 2.25, 4.67 A)
&rst
ixpk= 2654, nxpk= 25, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 804, 805, 806, 808, 809, 810,
&end
#
# 50 LEU QD- 44 ILE HA 4.50 (# 2655:25 Preassigned 2.25, 4.67 A)
&rst
ixpk= 2655, nxpk= 25, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 804, 805, 806, 808, 809, 810,
&end
#
# 68 HIS HB- 44 ILE HA 5.50 (# 2656:25 Preassigned 4.26, 4.54 A)
&rst
ixpk= 2656, nxpk= 25, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1084,1085,
&end
#
# 0 AMB 25-3:2657 44 ILE HA 5.50 (# 2657:25 Single Ambig)
&rst
ixpk= 2657, nxpk= 25, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 785, 786, 785, 786,
&end
#
# 68 HIS HN 44 ILE HB 4.50 (# 2658:25 Preassigned 3.83, 4.00 A)
&rst
ixpk= 2658, nxpk= 25, iat=1080, 704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2659 44 ILE HB 5.50 (# 2659:25 Single Ambig)
&rst
ixpk= 2659, nxpk= 25, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 719, 739,
&end
#
# 43 LEU HA 44 ILE HB 4.50 (# 2660:25 Preassigned 4.32, 4.39 A)
&rst
ixpk= 2660, nxpk= 25, iat= 683, 704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:2661 44 ILE HB 5.50 (# 2661:25 Single Ambig)
&rst
ixpk= 2661, nxpk= 25, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1082, 721,1099,
&end
#
# 44 ILE HA 44 ILE HB 4.50 (# 2662:25 Preassigned 2.98, 3.00 A)
&rst
ixpk= 2662, nxpk= 25, iat= 702, 704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 GLN HA 44 ILE HB 7.00 (# 2663:25 Preassigned 4.47, 4.68 A)
&rst
ixpk= 2663, nxpk= 25, iat= 780, 704, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:2664 44 ILE HB 5.50 (# 2664:25 Single Ambig)
&rst
ixpk= 2664, nxpk= 25, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 664, 665, 664, 665, 802, 685, 686, 688,
&end
#
# 70 VAL QG+ 44 ILE HB 4.50 (# 2665:25 Unique 2.05, 4.38 A)
&rst
ixpk= 2665, nxpk= 25, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1122,1123,1124,1126,1127,1128,
&end
#
# 0 AMB 25-3:2666 0 AMB 25-1:2666 3.50 (# 2666:25 Double Ambig)
&rst
ixpk= 2666, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 713, 714, 715, 706, 707, 708,
igr2= 710, 711, 710, 711,
&end
#
# 70 VAL QG+ 44 ILE HG1+ 4.50 (# 2667:25 Preassigned 1.94, 4.12 A)
&rst
ixpk= 2667, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1122,1123,1124,1126,1127,1128,
igr2= 710, 711,
&end
#
# 0 AMB 25-3:2668 0 AMB 25-1:2668 4.50 (# 2668:25 Double Ambig)
&rst
ixpk= 2668, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 664, 665, 664, 665,
igr2= 710, 711, 710, 711,
&end
#
# 44 ILE HB 44 ILE HG1+ 4.50 (# 2669:25 Preassigned 2.35, 2.71 A)
&rst
ixpk= 2669, nxpk= 25, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 710, 711,
&end
#
# 0 AMB 25-3:2670 0 AMB 25-1:2670 4.50 (# 2670:25 Double Ambig)
&rst
ixpk= 2670, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1120, 782, 783,
igr2= 710, 711, 710, 711,
&end
#
# 0 AMB 25-3:2671 0 AMB 25-1:2671 4.50 (# 2671:25 Double Ambig)
&rst
ixpk= 2671, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 785, 786, 785, 786,
igr2= 710, 711, 710, 711,
&end
#
# 68 HIS HB- 44 ILE HG1+ 5.50 (# 2672:25 Preassigned 3.66, 4.82 A)
&rst
ixpk= 2672, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1084,1085,
igr2= 710, 711,
&end
#
# 68 HIS HB+ 44 ILE HG1+ 5.50 (# 2673:25 Preassigned 3.66, 4.82 A)
&rst
ixpk= 2673, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1084,1085,
igr2= 710, 711,
&end
#
# 49 GLN HA 44 ILE HG1+ 4.50 (# 2674:25 Preassigned 2.23, 3.06 A)
&rst
ixpk= 2674, nxpk= 25, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 710, 711,
&end
#
# 44 ILE HA 44 ILE HG1+ 4.50 (# 2675:25 Preassigned 2.23, 2.65 A)
&rst
ixpk= 2675, nxpk= 25, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 710, 711,
&end
#
# 0 AMB 25-3:2676 0 AMB 25-1:2676 5.50 (# 2676:25 Double Ambig)
&rst
ixpk= 2676, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1099, 721,1082,
igr2= 710, 711, 710, 711, 710, 711,
&end
#
# 43 LEU HA 44 ILE HG1+ 5.50 (# 2677:25 Preassigned 3.73, 4.65 A)
&rst
ixpk= 2677, nxpk= 25, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 710, 711,
&end
#
# 0 AMB 25-3:2678 0 AMB 25-1:2678 5.50 (# 2678:25 Double Ambig)
&rst
ixpk= 2678, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 795, 749,
igr2= 710, 711, 710, 711,
&end
#
# 0 AMB 25-3:2679 0 AMB 25-1:2679 5.50 (# 2679:25 Double Ambig)
&rst
ixpk= 2679, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 719, 681,
igr2= 710, 711, 710, 711,
&end
#
# 68 HIS HN 44 ILE HG1+ 5.50 (# 2680:25 Preassigned 5.53, 6.08 A)
&rst
ixpk= 2680, nxpk= 25, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 710, 711,
&end
#
# 44 ILE HN 44 ILE HG1+ 4.50 (# 2681:25 Preassigned 3.12, 3.70 A)
&rst
ixpk= 2681, nxpk= 25, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 710, 711,
&end
#
# 44 ILE HN 44 ILE HG1- 4.50 (# 2682:25 Preassigned 3.12, 3.70 A)
&rst
ixpk= 2682, nxpk= 25, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 710, 711,
&end
#
# 68 HIS HN 44 ILE HG1- 5.50 (# 2683:25 Preassigned 5.53, 6.08 A)
&rst
ixpk= 2683, nxpk= 25, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 710, 711,
&end
#
# 0 AMB 25-3:2684 44 ILE HG1- 5.50 (# 2684:25 Single Ambig)
&rst
ixpk= 2684, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 719, 681,
igr2= 710, 711,
&end
#
# 49 GLN HN 44 ILE HG1- 7.00 (# 2685:25 Preassigned 3.87, 5.15 A)
&rst
ixpk= 2685, nxpk= 25, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 710, 711,
&end
#
# 0 AMB 25-3:2686 44 ILE HG1- 5.50 (# 2686:25 Single Ambig)
&rst
ixpk= 2686, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 795, 749,
igr2= 710, 711,
&end
#
# 43 LEU HA 44 ILE HG1- 5.50 (# 2687:25 Preassigned 3.73, 4.65 A)
&rst
ixpk= 2687, nxpk= 25, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 710, 711,
&end
#
# 0 AMB 25-3:2688 44 ILE HG1- 7.00 (# 2688:25 Single Ambig)
&rst
ixpk= 2688, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1099, 721,1082,
igr2= 710, 711,
&end
#
# 44 ILE HA 44 ILE HG1- 4.50 (# 2689:25 Preassigned 2.23, 2.65 A)
&rst
ixpk= 2689, nxpk= 25, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 710, 711,
&end
#
# 49 GLN HA 44 ILE HG1- 4.50 (# 2690:25 Preassigned 2.23, 3.06 A)
&rst
ixpk= 2690, nxpk= 25, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 710, 711,
&end
#
# 68 HIS HB- 44 ILE HG1- 5.50 (# 2691:25 Preassigned 3.66, 4.82 A)
&rst
ixpk= 2691, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1084,1085,
igr2= 710, 711,
&end
#
# 0 AMB 25-3:2692 44 ILE HG1- 4.50 (# 2692:25 Single Ambig)
&rst
ixpk= 2692, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 785, 786, 785, 786,
igr2= 710, 711,
&end
#
# 49 GLN HB+ 44 ILE HG1- 5.50 (# 2693:25 Preassigned 2.73, 4.60 A)
&rst
ixpk= 2693, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 782, 783,
igr2= 710, 711,
&end
#
# 0 AMB 25-3:2694 44 ILE HG1- 4.50 (# 2694:25 Single Ambig)
&rst
ixpk= 2694, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1120, 782, 783,
igr2= 710, 711,
&end
#
# 44 ILE HB 44 ILE HG1- 4.50 (# 2695:25 Preassigned 2.35, 2.71 A)
&rst
ixpk= 2695, nxpk= 25, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 710, 711,
&end
#
# 42 ARG HB- 44 ILE HG1- 5.50 (# 2696:25 Preassigned 3.79, 5.41 A)
&rst
ixpk= 2696, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 661, 662,
igr2= 710, 711,
&end
#
# 0 AMB 25-3:2697 44 ILE HG1- 4.50 (# 2697:25 Single Ambig)
&rst
ixpk= 2697, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 664, 665, 664, 665,
igr2= 710, 711,
&end
#
# 43 LEU HB+ 44 ILE HG1- 5.50 (# 2698:25 Preassigned 5.24, 6.02 A)
&rst
ixpk= 2698, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 685, 686,
igr2= 710, 711,
&end
#
# 70 VAL QG+ 44 ILE HG1- 4.50 (# 2699:25 Preassigned 1.94, 4.12 A)
&rst
ixpk= 2699, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1122,1123,1124,1126,1127,1128,
igr2= 710, 711,
&end
#
# 0 AMB 25-3:2700 44 ILE HG1- 3.50 (# 2700:25 Single Ambig)
&rst
ixpk= 2700, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 713, 714, 715, 706, 707, 708,
igr2= 710, 711,
&end
#
# 49 GLN HN 44 ILE QG2 5.50 (# 2701:25 Preassigned 3.65, 5.51 A)
&rst
ixpk= 2701, nxpk= 25, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 706, 707, 708,
&end
#
# 0 AMB 25-3:2702 44 ILE QG2 5.50 (# 2702:25 Single Ambig)
&rst
ixpk= 2702, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 727, 735,
igr2= 706, 707, 708,
&end
#
# 43 LEU HA 44 ILE QG2 5.50 (# 2703:25 Preassigned 6.12, 6.50 A)
&rst
ixpk= 2703, nxpk= 25, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 706, 707, 708,
&end
#
# 50 LEU QD- 44 ILE QG2 5.50 (# 2704:25 Preassigned 4.31, 7.14 A)
&rst
ixpk= 2704, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 706, 707, 708,
&end
#
# 70 VAL HA 44 ILE QD1 5.50 (# 2706:25 Unique 5.12, 5.99 A)
&rst
ixpk= 2706, nxpk= 25, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 713, 714, 715,
&end
#
# 43 LEU HA 44 ILE QD1 5.50 (# 2708:25 Preassigned 5.86, 6.47 A)
&rst
ixpk= 2708, nxpk= 25, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 713, 714, 715,
&end
#
# 49 GLN HE2+ 44 ILE QD1 5.50 (# 2709:25 Preassigned 2.32, 5.25 A)
&rst
ixpk= 2709, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 790, 791,
igr2= 713, 714, 715,
&end
#
# 48 LYS HN 44 ILE QD1 5.50 (# 2710:25 Preassigned 5.17, 6.32 A)
&rst
ixpk= 2710, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 713, 714, 715,
&end
#
# 68 HIS HN 45 PHE HA 5.50 (# 2711:25 Preassigned 3.49, 3.57 A)
&rst
ixpk= 2711, nxpk= 25, iat=1080, 721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ALA HN 45 PHE HA 3.50 (# 2712:25 Preassigned 2.14, 2.14 A)
&rst
ixpk= 2712, nxpk= 25, iat= 739, 721, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 GLY HN 45 PHE HA 5.50 (# 2713:25 Preassigned 3.98, 4.08 A)
&rst
ixpk= 2713, nxpk= 25, iat= 749, 721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LYS HN 45 PHE HA 5.50 (# 2714:25 Preassigned 4.22, 4.26 A)
&rst
ixpk= 2714, nxpk= 25, iat= 756, 721, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 PHE HD1 45 PHE HA 3.50 (# 2715:25 Preassigned 2.10, 2.19 A)
&rst
ixpk= 2715, nxpk= 25, iat= 727, 721, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 LEU HA 45 PHE HA 3.50 (# 2716:25 Preassigned 3.16, 3.28 A)
&rst
ixpk= 2716, nxpk= 25, iat=1063, 721, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 GLN HA 45 PHE HA 7.00 (# 2717:25 Preassigned 5.96, 6.07 A)
&rst
ixpk= 2717, nxpk= 25, iat= 780, 721, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 46 ALA HA 45 PHE HA 4.50 (# 2718:25 Preassigned 4.37, 4.37 A)
&rst
ixpk= 2718, nxpk= 25, iat= 741, 721, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 PHE HB+ 45 PHE HA 3.50 (# 2719:25 Preassigned 2.48, 2.76 A)
&rst
ixpk= 2719, nxpk= 25, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 723, 724,
&end
#
# 45 PHE HB- 45 PHE HA 3.50 (# 2720:25 Preassigned 2.48, 2.76 A)
&rst
ixpk= 2720, nxpk= 25, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 723, 724,
&end
#
# 0 AMB 25-3:2721 45 PHE HA 4.50 (# 2721:25 Single Ambig)
&rst
ixpk= 2721, nxpk= 25, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1068, 704,
&end
#
# 0 AMB 25-3:2722 45 PHE HA 4.50 (# 2722:25 Single Ambig)
&rst
ixpk= 2722, nxpk= 25, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 743, 744, 745,1053,1054,1055,
&end
#
# 0 AMB 25-3:2723 45 PHE HA 3.50 (# 2723:25 Single Ambig)
&rst
ixpk= 2723, nxpk= 25, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1070,1071,1072,1074,1075,1076, 706, 707, 708,
&end
#
# 50 LEU QD+ 45 PHE HA 4.50 (# 2724:25 Unique 3.67, 5.27 A)
&rst
ixpk= 2724, nxpk= 25, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 804, 805, 806, 808, 809, 810,
&end
#
# 50 LEU QD- 45 PHE HA 4.50 (# 2725:25 Preassigned 3.67, 5.27 A)
&rst
ixpk= 2725, nxpk= 25, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 804, 805, 806, 808, 809, 810,
&end
#
# 50 LEU QD+ 45 PHE HB- 3.50 (# 2726:25 Preassigned 1.91, 3.48 A)
&rst
ixpk= 2726, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 723, 724,
&end
#
# 0 AMB 25-3:2727 45 PHE HB- 4.50 (# 2727:25 Single Ambig)
&rst
ixpk= 2727, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
1075,1076,
igr2= 723, 724,
&end
#
# 46 ALA QB 45 PHE HB- 5.50 (# 2728:25 Preassigned 4.07, 5.65 A)
&rst
ixpk= 2728, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 743, 744, 745,
igr2= 723, 724,
&end
#
# 0 AMB 25-3:2729 45 PHE HB- 4.50 (# 2729:25 Single Ambig)
&rst
ixpk= 2729, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 763, 764, 763, 764,
igr2= 723, 724,
&end
#
# 67 LEU HG 45 PHE HB- 4.50 (# 2730:25 Unique 3.27, 4.27 A)
&rst
ixpk= 2730, nxpk= 25, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 723, 724,
&end
#
# 67 LEU HA 45 PHE HB- 5.50 (# 2731:25 Preassigned 3.60, 4.55 A)
&rst
ixpk= 2731, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 723, 724,
&end
#
# 45 PHE HA 45 PHE HB- 3.50 (# 2732:25 Preassigned 2.48, 2.76 A)
&rst
ixpk= 2732, nxpk= 25, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 723, 724,
&end
#
# 45 PHE HN 45 PHE HB- 4.50 (# 2733:25 Unique 2.75, 2.99 A)
&rst
ixpk= 2733, nxpk= 25, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 723, 724,
&end
#
# 48 LYS HN 46 ALA HA 5.50 (# 2734:25 Preassigned 4.08, 4.13 A)
&rst
ixpk= 2734, nxpk= 25, iat= 756, 741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2735 46 ALA HA 5.50 (# 2735:25 Single Ambig)
&rst
ixpk= 2735, nxpk= 25, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 729, 733,
&end
#
# 0 AMB 25-3:2736 46 ALA HA 5.50 (# 2736:25 Single Ambig)
&rst
ixpk= 2736, nxpk= 25, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 727, 735,
&end
#
# 45 PHE HA 46 ALA HA 4.50 (# 2737:25 Preassigned 4.37, 4.37 A)
&rst
ixpk= 2737, nxpk= 25, iat= 721, 741, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 GLY HA- 46 ALA HA 4.50 (# 2738:25 Preassigned 4.32, 4.50 A)
&rst
ixpk= 2738, nxpk= 25, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 751, 752,
&end
#
# 47 GLY HA+ 46 ALA HA 4.50 (# 2739:25 Preassigned 4.32, 4.50 A)
&rst
ixpk= 2739, nxpk= 25, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 751, 752,
&end
#
# 44 ILE QG2 46 ALA HA 4.50 (# 2740:25 Preassigned 4.91, 5.56 A)
&rst
ixpk= 2740, nxpk= 25, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 706, 707, 708,
&end
#
# 45 PHE HB- 46 ALA QB 5.50 (# 2741:25 Preassigned 4.07, 5.65 A)
&rst
ixpk= 2741, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 723, 724,
igr2= 743, 744, 745,
&end
#
# 0 AMB 25-3:2742 46 ALA QB 5.50 (# 2742:25 Single Ambig)
&rst
ixpk= 2742, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 751, 752, 953, 954,
igr2= 743, 744, 745,
&end
#
# 47 GLY HA- 46 ALA QB 5.50 (# 2743:25 Preassigned 4.67, 5.76 A)
&rst
ixpk= 2743, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 751, 752,
igr2= 743, 744, 745,
&end
#
# 0 AMB 25-3:2744 47 GLY HA- 4.50 (# 2744:25 Single Ambig)
&rst
ixpk= 2744, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 719, 739,
igr2= 751, 752,
&end
#
# 48 LYS HN 47 GLY HA- 4.50 (# 2745:25 Preassigned 3.18, 3.28 A)
&rst
ixpk= 2745, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 751, 752,
&end
#
# 36 ILE HA 35 GLY HA- 4.50 (# 2746:25 Preassigned 4.48, 4.51 A)
&rst
ixpk= 2746, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 559, 560,
&end
#
# 46 ALA HA 47 GLY HA- 5.50 (# 2747:25 Preassigned 4.32, 4.50 A)
&rst
ixpk= 2747, nxpk= 25, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 751, 752,
&end
#
# 0 AMB 25-3:2748 47 GLY HA- 5.50 (# 2748:25 Single Ambig)
&rst
ixpk= 2748, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 763, 764, 763, 764,
igr2= 751, 752,
&end
#
# 46 ALA QB 47 GLY HA- 4.50 (# 2749:25 Preassigned 4.67, 5.76 A)
&rst
ixpk= 2749, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 743, 744, 745,
igr2= 751, 752,
&end
#
# 44 ILE QG2 47 GLY HA- 4.50 (# 2750:25 Preassigned 3.15, 4.24 A)
&rst
ixpk= 2750, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 706, 707, 708,
igr2= 751, 752,
&end
#
# 44 ILE QG2 47 GLY HA+ 4.50 (# 2751:25 Preassigned 3.15, 4.24 A)
&rst
ixpk= 2751, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 706, 707, 708,
igr2= 751, 752,
&end
#
# 46 ALA QB 47 GLY HA+ 4.50 (# 2752:25 Preassigned 4.67, 5.76 A)
&rst
ixpk= 2752, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 743, 744, 745,
igr2= 751, 752,
&end
#
# 44 ILE HB 47 GLY HA+ 5.50 (# 2753:25 Preassigned 5.53, 6.48 A)
&rst
ixpk= 2753, nxpk= 25, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 751, 752,
&end
#
# 0 AMB 25-3:2757 0 AMB 25-1:2757 5.50 (# 2757:25 Double Ambig)
&rst
ixpk= 2757, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 758, 780,
igr2= 751, 752, 751, 752,
&end
#
# 48 LYS HN 47 GLY HA+ 4.50 (# 2758:25 Preassigned 3.18, 3.28 A)
&rst
ixpk= 2758, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 751, 752,
&end
#
# 0 AMB 25-3:2759 0 AMB 25-1:2759 4.50 (# 2759:25 Double Ambig)
&rst
ixpk= 2759, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 719, 739,
igr2= 751, 752, 751, 752,
&end
#
# 45 PHE HN 48 LYS HA 4.50 (# 2760:25 Preassigned 4.30, 4.36 A)
&rst
ixpk= 2760, nxpk= 25, iat= 719, 758, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 GLY HA- 48 LYS HA 5.50 (# 2762:25 Preassigned 4.43, 4.51 A)
&rst
ixpk= 2762, nxpk= 25, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 751, 752,
&end
#
# 0 AMB 25-3:2763 48 LYS HA 5.50 (# 2763:25 Single Ambig)
&rst
ixpk= 2763, nxpk= 25, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 785, 786, 785, 786,
&end
#
# 0 AMB 25-3:2764 48 LYS HA 5.50 (# 2764:25 Single Ambig)
&rst
ixpk= 2764, nxpk= 25, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 706, 707, 708, 713, 714, 715,
&end
#
# 0 AMB 25-3:2765 0 AMB 25-1:2765 5.50 (# 2765:25 Double Ambig)
&rst
ixpk= 2765, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
809, 810,
igr2= 760, 761, 760, 761,
&end
#
# 0 AMB 25-3:2766 2 GLN HG- 4.50 (# 2766:25 Single Ambig)
&rst
ixpk= 2766, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 264, 265, 8, 9, 8, 9,
igr2= 28, 29,
&end
#
# 0 AMB 25-3:2767 0 AMB 25-1:2767 5.50 (# 2767:25 Double Ambig)
&rst
ixpk= 2767, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1023, 751, 752, 751, 752,
igr2= 28, 29, 760, 761, 760, 761,
&end
#
# 2 GLN HA 2 GLN HG- 4.50 (# 2768:25 Preassigned 3.52, 3.86 A)
&rst
ixpk= 2768, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 28, 29,
&end
#
# 65 SER HN 2 GLN HG- 4.50 (# 2769:25 Preassigned 4.58, 5.51 A)
&rst
ixpk= 2769, nxpk= 25, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 28, 29,
&end
#
# 3 ILE HN 2 GLN HG- 4.50 (# 2770:25 Preassigned 2.90, 3.56 A)
&rst
ixpk= 2770, nxpk= 25, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 28, 29,
&end
#
# 0 AMB 25-3:2771 0 AMB 25-1:2771 5.50 (# 2771:25 Double Ambig)
&rst
ixpk= 2771, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 57, 795, 749,
igr2= 28, 29, 760, 761, 760, 761, 760, 761,
&end
#
# 2 GLN HN 2 GLN HG- 4.50 (# 2772:25 Preassigned 3.53, 3.93 A)
&rst
ixpk= 2772, nxpk= 25, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 28, 29,
&end
#
# 64 GLU HN 0 AMB 25-1:2773 4.50 (# 2773:25 Single Ambig)
&rst
ixpk= 2773, nxpk= 25, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1006,1007,1006,1007,
&end
#
# 2 GLN HN 0 AMB 25-1:2774 5.50 (# 2774:25 Single Ambig)
&rst
ixpk= 2774, nxpk= 25, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1006,1007,1006,1007,
&end
#
# 45 PHE HN 0 AMB 25-1:2775 5.50 (# 2775:25 Single Ambig)
&rst
ixpk= 2775, nxpk= 25, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 763, 764, 763, 764,
&end
#
# 49 GLN HN 0 AMB 25-1:2776 4.50 (# 2776:25 Single Ambig)
&rst
ixpk= 2776, nxpk= 25, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 763, 764, 763, 764,
&end
#
# 47 GLY HN 0 AMB 25-1:2777 5.50 (# 2777:25 Single Ambig)
&rst
ixpk= 2777, nxpk= 25, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 763, 764, 763, 764,
&end
#
# 48 LYS HN 0 AMB 25-1:2778 3.50 (# 2778:25 Single Ambig)
&rst
ixpk= 2778, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 763, 764, 763, 764,
&end
#
# 59 TYR HD2 0 AMB 25-1:2779 5.50 (# 2779:25 Single Ambig)
&rst
ixpk= 2779, nxpk= 25, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 763, 764, 763, 764,
&end
#
# 59 TYR HE2 0 AMB 25-1:2780 5.50 (# 2780:25 Single Ambig)
&rst
ixpk= 2780, nxpk= 25, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 763, 764, 763, 764,
&end
#
# 48 LYS HA 0 AMB 25-1:2781 3.50 (# 2781:25 Single Ambig)
&rst
ixpk= 2781, nxpk= 25, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 763, 764, 763, 764,
&end
#
# 47 GLY HA- 0 AMB 25-1:2782 5.50 (# 2782:25 Single Ambig)
&rst
ixpk= 2782, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 751, 752,
igr2= 763, 764, 763, 764,
&end
#
# 0 AMB 25-3:2783 0 AMB 25-1:2783 5.50 (# 2783:25 Double Ambig)
&rst
ixpk= 2783, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 751, 752, 751, 752,
igr2= 763, 764, 763, 764,
&end
#
# 0 AMB 25-3:2784 0 AMB 25-1:2784 3.50 (# 2784:25 Double Ambig)
&rst
ixpk= 2784, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 769, 770, 769, 770, 769, 770,
igr2= 763, 764, 763, 764, 763, 764,
&end
#
# 0 AMB 25-3:2785 0 AMB 25-1:2785 2.80 (# 2785:25 Double Ambig)
&rst
ixpk= 2785, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1003,1004,1003,1004, 760, 761, 760, 761, 760, 761,
766, 767, 766, 767, 766, 767,
igr2=1006,1007,1006,1007, 763, 764, 763, 764, 763, 764,
763, 764, 763, 764,
&end
#
# 50 LEU QD- 0 AMB 25-1:2786 4.50 (# 2786:25 Single Ambig)
&rst
ixpk= 2786, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 763, 764, 763, 764,
&end
#
# 59 TYR HB- 0 AMB 25-1:2787 5.50 (# 2787:25 Single Ambig)
&rst
ixpk= 2787, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 932, 933,
igr2= 766, 767, 766, 767,
&end
#
# 0 AMB 25-3:2788 0 AMB 25-1:2788 5.50 (# 2788:25 Double Ambig)
&rst
ixpk= 2788, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 238, 288,
igr2= 533, 534, 533, 534, 463, 464,
&end
#
# 0 AMB 25-3:2789 0 AMB 25-1:2789 5.50 (# 2789:25 Double Ambig)
&rst
ixpk= 2789, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 257, 402,
igr2= 533, 534, 533, 534, 463, 464,
&end
#
# 17 VAL HA 29 LYS HE+ 4.50 (# 2790:25 Preassigned 4.10, 5.27 A)
&rst
ixpk= 2790, nxpk= 25, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 463, 464,
&end
#
# 25 ASN HB- 29 LYS HE+ 5.50 (# 2792:25 Unique 3.29, 4.96 A)
&rst
ixpk= 2792, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 392, 393,
igr2= 463, 464,
&end
#
# 0 AMB 25-3:2793 0 AMB 25-1:2793 4.50 (# 2793:25 Double Ambig)
&rst
ixpk= 2793, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 454, 455, 454, 455, 454, 455,
igr2= 533, 534, 533, 534, 463, 464,
&end
#
# 50 LEU QD- 49 GLN HA 4.50 (# 2794:25 Preassigned 2.66, 5.19 A)
&rst
ixpk= 2794, nxpk= 25, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 804, 805, 806, 808, 809, 810,
&end
#
# 50 LEU QD+ 49 GLN HA 5.50 (# 2795:25 Preassigned 2.66, 5.19 A)
&rst
ixpk= 2795, nxpk= 25, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 804, 805, 806, 808, 809, 810,
&end
#
# 70 VAL QG+ 49 GLN HA 5.50 (# 2796:25 Unique 5.14, 6.74 A)
&rst
ixpk= 2796, nxpk= 25, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1122,1123,1124,1126,1127,1128,
&end
#
# 44 ILE HG1- 49 GLN HA 4.50 (# 2797:25 Preassigned 2.23, 3.06 A)
&rst
ixpk= 2797, nxpk= 25, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 710, 711,
&end
#
# 0 AMB 25-3:2798 49 GLN HA 3.50 (# 2798:25 Single Ambig)
&rst
ixpk= 2798, nxpk= 25, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 763, 764, 763, 764, 802,
&end
#
# 50 LEU HA 49 GLN HA 5.50 (# 2799:25 Preassigned 4.37, 4.38 A)
&rst
ixpk= 2799, nxpk= 25, iat= 797, 780, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 GLN HN 49 GLN HA 4.50 (# 2800:25 Preassigned 2.81, 2.87 A)
&rst
ixpk= 2800, nxpk= 25, iat= 778, 780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 PHE HN 49 GLN HA 4.50 (# 2801:25 Unique 3.18, 3.29 A)
&rst
ixpk= 2801, nxpk= 25, iat= 719, 780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 GLN HN 49 GLN HB+ 3.50 (# 2803:25 Preassigned 2.07, 2.76 A)
&rst
ixpk= 2803, nxpk= 25, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 782, 783,
&end
#
# 50 LEU HN 49 GLN HB+ 4.50 (# 2804:25 Preassigned 2.79, 3.96 A)
&rst
ixpk= 2804, nxpk= 25, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 782, 783,
&end
#
# 25 ASN HN 0 AMB 25-1:2805 4.50 (# 2805:25 Single Ambig)
&rst
ixpk= 2805, nxpk= 25, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 377, 378, 377, 378,
&end
#
# 49 GLN HE2- 49 GLN HB+ 5.50 (# 2806:25 Preassigned 2.24, 3.79 A)
&rst
ixpk= 2806, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 790, 791,
igr2= 782, 783,
&end
#
# 22 THR HB 0 AMB 25-1:2807 5.50 (# 2807:25 Single Ambig)
&rst
ixpk= 2807, nxpk= 25, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 377, 378, 377, 378,
&end
#
# 49 GLN HA 49 GLN HB+ 3.50 (# 2808:25 Preassigned 2.36, 2.80 A)
&rst
ixpk= 2808, nxpk= 25, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 782, 783,
&end
#
# 24 GLU HA 0 AMB 25-1:2809 3.50 (# 2809:25 Single Ambig)
&rst
ixpk= 2809, nxpk= 25, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 377, 378, 377, 378,
&end
#
# 0 AMB 25-3:2810 0 AMB 25-1:2810 5.50 (# 2810:25 Double Ambig)
&rst
ixpk= 2810, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 425, 426, 425, 426, 428, 429, 444, 445, 446,
igr2= 377, 378, 377, 378, 377, 378, 377, 378,
&end
#
# 0 AMB 25-3:2811 0 AMB 25-1:2811 4.50 (# 2811:25 Double Ambig)
&rst
ixpk= 2811, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19,
igr1= 763, 764, 763, 764, 422, 423, 422, 423, 799, 800,
igr2= 782, 783, 782, 783, 377, 378, 377, 378, 782, 783,
&end
#
# 22 THR QG2 0 AMB 25-1:2812 5.50 (# 2812:25 Single Ambig)
&rst
ixpk= 2812, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 346, 347, 348,
igr2= 377, 378, 377, 378,
&end
#
# 44 ILE HG1- 49 GLN HB+ 4.50 (# 2813:25 Preassigned 2.73, 4.60 A)
&rst
ixpk= 2813, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 710, 711,
igr2= 782, 783,
&end
#
# 44 ILE QD1 49 GLN HB+ 4.50 (# 2814:25 Preassigned 3.81, 5.83 A)
&rst
ixpk= 2814, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 713, 714, 715,
igr2= 782, 783,
&end
#
# 0 AMB 25-3:2815 0 AMB 25-1:2815 2.80 (# 2815:25 Double Ambig)
&rst
ixpk= 2815, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 785, 786, 785, 786,
igr2= 782, 783, 782, 783,
&end
#
# 49 GLN HN 49 GLN HB- 3.50 (# 2816:25 Preassigned 2.07, 2.76 A)
&rst
ixpk= 2816, nxpk= 25, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 782, 783,
&end
#
# 50 LEU HN 49 GLN HB- 4.50 (# 2817:25 Preassigned 2.79, 3.96 A)
&rst
ixpk= 2817, nxpk= 25, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 782, 783,
&end
#
# 49 GLN HA 49 GLN HB- 4.50 (# 2818:25 Preassigned 2.36, 2.80 A)
&rst
ixpk= 2818, nxpk= 25, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 782, 783,
&end
#
# 0 AMB 25-3:2819 49 GLN HB- 3.50 (# 2819:25 Single Ambig)
&rst
ixpk= 2819, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 785, 786, 785, 786,
igr2= 782, 783,
&end
#
# 44 ILE QD1 49 GLN HB- 4.50 (# 2820:25 Preassigned 3.81, 5.83 A)
&rst
ixpk= 2820, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 713, 714, 715,
igr2= 782, 783,
&end
#
# 50 LEU QD- 0 AMB 25-1:2821 5.50 (# 2821:25 Single Ambig)
&rst
ixpk= 2821, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 785, 786, 785, 786,
&end
#
# 0 AMB 25-3:2822 0 AMB 25-1:2822 5.50 (# 2822:25 Double Ambig)
&rst
ixpk= 2822, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
809, 810,
igr2= 785, 786, 785, 786,
&end
#
# 3 ILE HG1- 16 GLU HG- 5.50 (# 2823:25 Preassigned 6.61, 7.08 A)
&rst
ixpk= 2823, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 48, 49,
igr2= 264, 265,
&end
#
# 19 PRO HD- 18 GLU HG+ 5.50 (# 2824:25 Unique 2.00, 4.97 A)
&rst
ixpk= 2824, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 304, 305,
igr2= 295, 296,
&end
#
# 19 PRO HD+ 18 GLU HG+ 4.50 (# 2825:25 Unique 2.00, 4.97 A)
&rst
ixpk= 2825, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 304, 305,
igr2= 295, 296,
&end
#
# 0 AMB 25-3:2827 0 AMB 25-1:2827 4.50 (# 2827:25 Double Ambig)
&rst
ixpk= 2827, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 790, 791, 790, 791,
igr2= 785, 786, 785, 786,
&end
#
# 43 LEU HN 0 AMB 25-1:2828 4.50 (# 2828:25 Single Ambig)
&rst
ixpk= 2828, nxpk= 25, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 785, 786, 785, 786,
&end
#
# 44 ILE HN 0 AMB 25-1:2829 7.00 (# 2829:25 Single Ambig)
&rst
ixpk= 2829, nxpk= 25, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 785, 786, 785, 786,
&end
#
# 0 AMB 25-3:2830 50 LEU HA 5.50 (# 2830:25 Single Ambig)
&rst
ixpk= 2830, nxpk= 25, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 719, 681,
&end
#
# 50 LEU HN 50 LEU HA 4.50 (# 2831:25 Preassigned 2.86, 2.91 A)
&rst
ixpk= 2831, nxpk= 25, iat= 795, 797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 ASP HN 50 LEU HA 7.00 (# 2832:25 Preassigned 6.34, 6.38 A)
&rst
ixpk= 2832, nxpk= 25, iat= 829, 797, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:2833 50 LEU HA 5.50 (# 2833:25 Single Ambig)
&rst
ixpk= 2833, nxpk= 25, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 945, 936,
&end
#
# 59 TYR HE2 50 LEU HA 4.50 (# 2834:25 Unique 2.49, 2.59 A)
&rst
ixpk= 2834, nxpk= 25, iat= 943, 797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 GLN HA 50 LEU HA 4.50 (# 2835:25 Preassigned 4.37, 4.38 A)
&rst
ixpk= 2835, nxpk= 25, iat= 780, 797, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 GLU HG+ 50 LEU HA 4.50 (# 2837:25 Preassigned 4.61, 5.34 A)
&rst
ixpk= 2837, nxpk= 25, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 821, 822,
&end
#
# 0 AMB 25-3:2838 50 LEU HA 4.50 (# 2838:25 Single Ambig)
&rst
ixpk= 2838, nxpk= 25, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 785, 786, 785, 786, 818, 819, 852, 853,
&end
#
# 0 AMB 25-3:2839 50 LEU HA 5.50 (# 2839:25 Single Ambig)
&rst
ixpk= 2839, nxpk= 25, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 818, 819, 766, 767, 766, 767, 760, 761,
&end
#
# 0 AMB 25-3:2840 50 LEU HA 4.50 (# 2840:25 Single Ambig)
&rst
ixpk= 2840, nxpk= 25, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 364, 365, 782, 783,
&end
#
# 23 ILE HG1- 50 LEU HA 5.50 (# 2841:25 Preassigned 3.74, 4.43 A)
&rst
ixpk= 2841, nxpk= 25, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 364, 365,
&end
#
# 50 LEU HB- 50 LEU HA 4.50 (# 2842:25 Preassigned 2.28, 2.65 A)
&rst
ixpk= 2842, nxpk= 25, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 799, 800,
&end
#
# 23 ILE QG2 50 LEU HA 5.50 (# 2843:25 Preassigned 4.66, 5.73 A)
&rst
ixpk= 2843, nxpk= 25, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 360, 361, 362,
&end
#
# 50 LEU QD+ 50 LEU HA 4.50 (# 2844:25 Preassigned 2.04, 4.02 A)
&rst
ixpk= 2844, nxpk= 25, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 804, 805, 806, 808, 809, 810,
&end
#
# 50 LEU QD- 50 LEU HB+ 4.50 (# 2845:25 Preassigned 2.12, 3.28 A)
&rst
ixpk= 2845, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 799, 800,
&end
#
# 50 LEU QD+ 50 LEU HB+ 3.50 (# 2846:25 Preassigned 2.12, 3.28 A)
&rst
ixpk= 2846, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 799, 800,
&end
#
# 0 AMB 25-3:2847 0 AMB 25-1:2847 4.50 (# 2847:25 Double Ambig)
&rst
ixpk= 2847, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 360, 361, 362, 690, 691, 692, 694, 695, 696,
igr2= 799, 800, 799, 800,
&end
#
# 23 ILE HG1- 50 LEU HB+ 4.50 (# 2848:25 Preassigned 1.78, 3.02 A)
&rst
ixpk= 2848, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 364, 365,
igr2= 799, 800,
&end
#
# 23 ILE HG1+ 50 LEU HB+ 5.50 (# 2849:25 Preassigned 1.78, 3.02 A)
&rst
ixpk= 2849, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 364, 365,
igr2= 799, 800,
&end
#
# 50 LEU HA 50 LEU HB+ 4.50 (# 2850:25 Preassigned 2.28, 2.65 A)
&rst
ixpk= 2850, nxpk= 25, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 799, 800,
&end
#
# 49 GLN HA 50 LEU HB+ 5.50 (# 2851:25 Preassigned 4.57, 5.25 A)
&rst
ixpk= 2851, nxpk= 25, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 799, 800,
&end
#
# 59 TYR HE1 50 LEU HB+ 5.50 (# 2852:25 Preassigned 2.52, 3.43 A)
&rst
ixpk= 2852, nxpk= 25, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 799, 800,
&end
#
# 51 GLU HN 50 LEU HB+ 5.50 (# 2853:25 Preassigned 2.29, 2.81 A)
&rst
ixpk= 2853, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 799, 800,
&end
#
# 50 LEU HN 50 LEU HB+ 4.50 (# 2854:25 Preassigned 2.54, 3.22 A)
&rst
ixpk= 2854, nxpk= 25, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 799, 800,
&end
#
# 0 AMB 25-3:2855 0 AMB 25-1:2855 5.50 (# 2855:25 Double Ambig)
&rst
ixpk= 2855, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 681, 719,
igr2= 799, 800, 799, 800,
&end
#
# 50 LEU HN 50 LEU HB- 4.50 (# 2856:25 Preassigned 2.54, 3.22 A)
&rst
ixpk= 2856, nxpk= 25, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 799, 800,
&end
#
# 51 GLU HN 50 LEU HB- 4.50 (# 2857:25 Preassigned 2.29, 2.81 A)
&rst
ixpk= 2857, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 799, 800,
&end
#
# 59 TYR HE1 50 LEU HB- 5.50 (# 2858:25 Preassigned 2.52, 3.43 A)
&rst
ixpk= 2858, nxpk= 25, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 799, 800,
&end
#
# 23 ILE HG1+ 50 LEU HB- 5.50 (# 2859:25 Preassigned 1.78, 3.02 A)
&rst
ixpk= 2859, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 364, 365,
igr2= 799, 800,
&end
#
# 23 ILE HG1- 50 LEU HB- 4.50 (# 2860:25 Preassigned 1.78, 3.02 A)
&rst
ixpk= 2860, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 364, 365,
igr2= 799, 800,
&end
#
# 50 LEU HB- 50 LEU HG 5.50 (# 2861:25 Preassigned 2.39, 2.73 A)
&rst
ixpk= 2861, nxpk= 25, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 799, 800,
&end
#
# 44 ILE HA 50 LEU HG 5.50 (# 2862:25 Preassigned 2.76, 3.33 A)
&rst
ixpk= 2862, nxpk= 25, iat= 702, 802, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ILE HN 50 LEU QD- 5.50 (# 2863:25 Preassigned 3.08, 5.37 A)
&rst
ixpk= 2863, nxpk= 25, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 68 HIS HN 50 LEU QD- 7.00 (# 2864:25 Preassigned 4.09, 5.77 A)
&rst
ixpk= 2864, nxpk= 25, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 45 PHE HN 50 LEU QD- 3.50 (# 2865:25 Preassigned 2.42, 4.47 A)
&rst
ixpk= 2865, nxpk= 25, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 49 GLN HN 50 LEU QD- 5.50 (# 2866:25 Preassigned 4.40, 6.67 A)
&rst
ixpk= 2866, nxpk= 25, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 50 LEU HN 50 LEU QD- 3.50 (# 2867:25 Preassigned 2.18, 4.01 A)
&rst
ixpk= 2867, nxpk= 25, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 51 GLU HN 50 LEU QD- 4.50 (# 2868:25 Preassigned 4.13, 5.27 A)
&rst
ixpk= 2868, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 48 LYS HN 50 LEU QD- 5.50 (# 2869:25 Preassigned 4.67, 6.82 A)
&rst
ixpk= 2869, nxpk= 25, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 0 AMB 25-3:2870 50 LEU QD- 4.50 (# 2870:25 Single Ambig)
&rst
ixpk= 2870, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 735, 727,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 0 AMB 25-3:2871 50 LEU QD- 3.50 (# 2871:25 Single Ambig)
&rst
ixpk= 2871, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 936, 945,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 0 AMB 25-3:2872 50 LEU QD- 4.50 (# 2872:25 Single Ambig)
&rst
ixpk= 2872, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 943, 938,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 45 PHE HA 50 LEU QD- 4.50 (# 2873:25 Preassigned 3.67, 5.27 A)
&rst
ixpk= 2873, nxpk= 25, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 44 ILE HA 50 LEU QD- 4.50 (# 2874:25 Preassigned 2.25, 4.67 A)
&rst
ixpk= 2874, nxpk= 25, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 49 GLN HA 50 LEU QD- 4.50 (# 2875:25 Unique 2.66, 5.19 A)
&rst
ixpk= 2875, nxpk= 25, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 50 LEU HA 50 LEU QD- 3.50 (# 2876:25 Preassigned 2.04, 4.02 A)
&rst
ixpk= 2876, nxpk= 25, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 59 TYR HB- 50 LEU QD- 4.50 (# 2877:25 Preassigned 2.69, 4.53 A)
&rst
ixpk= 2877, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 932, 933,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 45 PHE HB+ 50 LEU QD- 3.50 (# 2878:25 Preassigned 1.91, 3.48 A)
&rst
ixpk= 2878, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 723, 724,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 45 PHE HB- 50 LEU QD- 3.50 (# 2879:25 Preassigned 1.91, 3.48 A)
&rst
ixpk= 2879, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 723, 724,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 59 TYR HB+ 50 LEU QD- 4.50 (# 2880:25 Preassigned 2.69, 4.53 A)
&rst
ixpk= 2880, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 932, 933,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 0 AMB 25-3:2881 50 LEU QD- 5.50 (# 2881:25 Single Ambig)
&rst
ixpk= 2881, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 785, 786, 785, 786, 852, 853,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 0 AMB 25-3:2882 50 LEU QD- 3.50 (# 2882:25 Single Ambig)
&rst
ixpk= 2882, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 766, 767, 766, 767, 760, 761, 760, 761,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 0 AMB 25-3:2883 50 LEU QD- 2.80 (# 2883:25 Single Ambig)
&rst
ixpk= 2883, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 799, 800, 802, 763, 764, 763, 764,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 50 LEU HB- 50 LEU QD- 3.50 (# 2884:25 Preassigned 2.12, 3.28 A)
&rst
ixpk= 2884, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 799, 800,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 0 AMB 25-3:2885 50 LEU QD- 4.50 (# 2885:25 Single Ambig)
&rst
ixpk= 2885, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1= 360, 361, 362, 895, 896, 897, 899, 900, 901,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 61 ILE QD1 67 LEU QD+ 2.80 (# 2887:25 Unique 2.11, 4.07 A)
&rst
ixpk= 2887, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 976, 977, 978,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 0 AMB 25-3:2888 0 AMB 25-1:2888 3.50 (# 2888:25 Double Ambig)
&rst
ixpk= 2888, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 360, 361, 362, 895, 896, 897, 899, 900, 901,
igr2= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
809, 810,
&end
#
# 50 LEU HB- 50 LEU QD+ 3.50 (# 2889:25 Preassigned 2.12, 3.28 A)
&rst
ixpk= 2889, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 799, 800,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 0 AMB 25-3:2890 0 AMB 25-1:2890 2.80 (# 2890:25 Double Ambig)
&rst
ixpk= 2890, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 799, 800, 802, 763, 764, 763, 764,
igr2= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
809, 810, 804, 805, 806, 808, 809, 810, 804, 805,
806, 808, 809, 810,
&end
#
# 67 LEU HG 50 LEU QD+ 4.50 (# 2891:25 Unique 2.25, 4.26 A)
&rst
ixpk= 2891, nxpk= 25, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 0 AMB 25-3:2892 0 AMB 25-1:2892 4.50 (# 2892:25 Double Ambig)
&rst
ixpk= 2892, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
igr1= 364, 365, 766, 767, 766, 767, 760, 761, 760, 761,
igr2= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
809, 810, 804, 805, 806, 808, 809, 810, 804, 805,
806, 808, 809, 810, 804, 805, 806, 808, 809, 810,
&end
#
# 59 TYR HB+ 50 LEU QD+ 5.50 (# 2893:25 Preassigned 2.69, 4.53 A)
&rst
ixpk= 2893, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 932, 933,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 45 PHE HB- 50 LEU QD+ 4.50 (# 2894:25 Preassigned 1.91, 3.48 A)
&rst
ixpk= 2894, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 723, 724,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 45 PHE HB+ 50 LEU QD+ 3.50 (# 2895:25 Preassigned 1.91, 3.48 A)
&rst
ixpk= 2895, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 723, 724,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 59 TYR HB- 50 LEU QD+ 7.00 (# 2896:25 Preassigned 2.69, 4.53 A)
&rst
ixpk= 2896, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 932, 933,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 23 ILE HA 50 LEU QD+ 7.00 (# 2897:25 Preassigned 4.59, 6.61 A)
&rst
ixpk= 2897, nxpk= 25, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 50 LEU HA 50 LEU QD+ 4.50 (# 2898:25 Preassigned 2.04, 4.02 A)
&rst
ixpk= 2898, nxpk= 25, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 49 GLN HA 50 LEU QD+ 4.50 (# 2899:25 Preassigned 2.66, 5.19 A)
&rst
ixpk= 2899, nxpk= 25, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 44 ILE HA 50 LEU QD+ 4.50 (# 2900:25 Preassigned 2.25, 4.67 A)
&rst
ixpk= 2900, nxpk= 25, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 45 PHE HA 50 LEU QD+ 5.50 (# 2901:25 Preassigned 3.67, 5.27 A)
&rst
ixpk= 2901, nxpk= 25, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 43 LEU HA 50 LEU QD+ 5.50 (# 2902:25 Preassigned 3.86, 5.96 A)
&rst
ixpk= 2902, nxpk= 25, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 0 AMB 25-3:2903 0 AMB 25-1:2903 5.50 (# 2903:25 Double Ambig)
&rst
ixpk= 2903, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 943, 938,
igr2= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
809, 810,
&end
#
# 0 AMB 25-3:2904 0 AMB 25-1:2904 4.50 (# 2904:25 Double Ambig)
&rst
ixpk= 2904, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 936, 945,
igr2= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
809, 810,
&end
#
# 0 AMB 25-3:2905 0 AMB 25-1:2905 4.50 (# 2905:25 Double Ambig)
&rst
ixpk= 2905, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 735, 727,
igr2= 804, 805, 806, 808, 809, 810, 804, 805, 806, 808,
809, 810,
&end
#
# 51 GLU HN 50 LEU QD+ 5.50 (# 2906:25 Preassigned 4.13, 5.27 A)
&rst
ixpk= 2906, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 50 LEU HN 50 LEU QD+ 4.50 (# 2907:25 Preassigned 2.18, 4.01 A)
&rst
ixpk= 2907, nxpk= 25, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 45 PHE HN 50 LEU QD+ 4.50 (# 2908:25 Preassigned 2.42, 4.47 A)
&rst
ixpk= 2908, nxpk= 25, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 68 HIS HN 50 LEU QD+ 7.00 (# 2909:25 Preassigned 4.09, 5.77 A)
&rst
ixpk= 2909, nxpk= 25, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 44 ILE HN 50 LEU QD+ 5.50 (# 2910:25 Preassigned 3.08, 5.37 A)
&rst
ixpk= 2910, nxpk= 25, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 804, 805, 806, 808, 809, 810,
&end
#
# 51 GLU HN 51 GLU HA 4.50 (# 2911:25 Preassigned 2.93, 2.94 A)
&rst
ixpk= 2911, nxpk= 25, iat= 814, 816, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 LEU HA 51 GLU HA 5.50 (# 2912:25 Preassigned 4.45, 4.47 A)
&rst
ixpk= 2912, nxpk= 25, iat= 797, 816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:2913 51 GLU HA 4.50 (# 2913:25 Single Ambig)
&rst
ixpk= 2913, nxpk= 25, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 358, 431, 432,
&end
#
# 23 ILE QG2 51 GLU HA 5.50 (# 2914:25 Preassigned 3.61, 4.58 A)
&rst
ixpk= 2914, nxpk= 25, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 360, 361, 362,
&end
#
# 21 ASP HN 19 PRO HB- 5.50 (# 2915:25 Preassigned 5.17, 5.43 A)
&rst
ixpk= 2915, nxpk= 25, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 310, 311,
&end
#
# 19 PRO HD+ 19 PRO HB- 4.50 (# 2916:25 Preassigned 2.98, 3.70 A)
&rst
ixpk= 2916, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 304, 305,
igr2= 310, 311,
&end
#
# 56 LEU HB- 19 PRO HB- 5.50 (# 2917:25 Preassigned 4.02, 4.40 A)
&rst
ixpk= 2917, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 890, 891,
igr2= 310, 311,
&end
#
# 52 ASP HN 51 GLU HB+ 4.50 (# 2918:25 Preassigned 2.96, 3.68 A)
&rst
ixpk= 2918, nxpk= 25, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 818, 819,
&end
#
# 51 GLU HN 51 GLU HB+ 3.50 (# 2919:25 Preassigned 2.90, 3.41 A)
&rst
ixpk= 2919, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 818, 819,
&end
#
# 51 GLU HA 51 GLU HB+ 3.50 (# 2920:25 Preassigned 2.31, 2.46 A)
&rst
ixpk= 2920, nxpk= 25, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 818, 819,
&end
#
# 0 AMB 25-3:2921 0 AMB 25-1:2921 5.50 (# 2921:25 Double Ambig)
&rst
ixpk= 2921, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 797, 843, 844,
igr2= 818, 819, 818, 819,
&end
#
# 53 GLY HA+ 51 GLU HB+ 7.00 (# 2922:25 Preassigned 4.49, 5.62 A)
&rst
ixpk= 2922, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 843, 844,
igr2= 818, 819,
&end
#
# 54 ARG HD+ 51 GLU HB+ 5.50 (# 2923:25 Preassigned 5.51, 6.59 A)
&rst
ixpk= 2923, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 858, 859,
igr2= 818, 819,
&end
#
# 54 ARG HG- 51 GLU HB+ 4.50 (# 2925:25 Preassigned 3.47, 4.47 A)
&rst
ixpk= 2925, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 855, 856,
igr2= 818, 819,
&end
#
# 51 GLU HN 51 GLU HG+ 4.50 (# 2926:25 Preassigned 2.54, 3.26 A)
&rst
ixpk= 2926, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 821, 822,
&end
#
# 52 ASP HN 51 GLU HG+ 4.50 (# 2927:25 Preassigned 3.67, 4.08 A)
&rst
ixpk= 2927, nxpk= 25, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 821, 822,
&end
#
# 0 AMB 25-3:2928 0 AMB 25-1:2928 5.50 (# 2928:25 Double Ambig)
&rst
ixpk= 2928, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 938, 943,
igr2= 821, 822, 821, 822,
&end
#
# 22 THR HB 51 GLU HG+ 7.00 (# 2929:25 Preassigned 6.16, 6.50 A)
&rst
ixpk= 2929, nxpk= 25, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 821, 822,
&end
#
# 53 GLY HA- 51 GLU HG+ 5.50 (# 2930:25 Preassigned 2.52, 3.83 A)
&rst
ixpk= 2930, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 843, 844,
igr2= 821, 822,
&end
#
# 54 ARG HD- 51 GLU HG+ 5.50 (# 2931:25 Preassigned 3.44, 4.97 A)
&rst
ixpk= 2931, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 858, 859,
igr2= 821, 822,
&end
#
# 54 ARG HG+ 51 GLU HG+ 4.50 (# 2932:25 Preassigned 1.80, 2.86 A)
&rst
ixpk= 2932, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 855, 856,
igr2= 821, 822,
&end
#
# 54 ARG HG- 51 GLU HG+ 5.50 (# 2933:25 Preassigned 1.80, 2.86 A)
&rst
ixpk= 2933, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 855, 856,
igr2= 821, 822,
&end
#
# 52 ASP HN 52 ASP HB+ 3.50 (# 2934:25 Preassigned 2.09, 2.90 A)
&rst
ixpk= 2934, nxpk= 25, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 833, 834,
&end
#
# 51 GLU HA 52 ASP HB+ 4.50 (# 2935:25 Preassigned 4.24, 5.02 A)
&rst
ixpk= 2935, nxpk= 25, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 833, 834,
&end
#
# 52 ASP HA 52 ASP HB+ 4.50 (# 2936:25 Preassigned 2.25, 2.50 A)
&rst
ixpk= 2936, nxpk= 25, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 833, 834,
&end
#
# 53 GLY HA- 52 ASP HB+ 5.50 (# 2937:25 Preassigned 4.13, 5.47 A)
&rst
ixpk= 2937, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 843, 844,
igr2= 833, 834,
&end
#
# 0 AMB 25-3:2938 0 AMB 25-1:2938 4.50 (# 2938:25 Double Ambig)
&rst
ixpk= 2938, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 377, 378, 377, 378,
igr2= 833, 834, 833, 834,
&end
#
# 23 ILE QG2 52 ASP HB+ 5.50 (# 2939:25 Preassigned 3.87, 5.23 A)
&rst
ixpk= 2939, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 360, 361, 362,
igr2= 833, 834,
&end
#
# 54 ARG HN 53 GLY HA- 4.50 (# 2941:25 Preassigned 3.04, 3.25 A)
&rst
ixpk= 2941, nxpk= 25, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 843, 844,
&end
#
# 22 THR HB 53 GLY HA- 5.50 (# 2942:25 Preassigned 3.95, 4.74 A)
&rst
ixpk= 2942, nxpk= 25, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 843, 844,
&end
#
# 52 ASP HA 53 GLY HA- 5.50 (# 2943:25 Preassigned 4.71, 5.00 A)
&rst
ixpk= 2943, nxpk= 25, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 843, 844,
&end
#
# 0 AMB 25-3:2944 53 GLY HA- 5.50 (# 2944:25 Single Ambig)
&rst
ixpk= 2944, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 833, 834, 358,
igr2= 843, 844,
&end
#
# 22 THR QG2 53 GLY HA- 5.50 (# 2945:25 Preassigned 3.91, 5.29 A)
&rst
ixpk= 2945, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 346, 347, 348,
igr2= 843, 844,
&end
#
# 55 THR QG2 53 GLY HA+ 5.50 (# 2948:25 Preassigned 5.85, 7.29 A)
&rst
ixpk= 2948, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 878, 879, 880,
igr2= 843, 844,
&end
#
# 0 AMB 25-3:2949 0 AMB 25-1:2949 5.50 (# 2949:25 Double Ambig)
&rst
ixpk= 2949, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1=1179,1180,1158,1159,1158,1159, 855, 856,
igr2=1220,1221, 843, 844,
&end
#
# 0 AMB 25-3:2950 0 AMB 25-1:2950 5.50 (# 2950:25 Double Ambig)
&rst
ixpk= 2950, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1198,1199, 855, 856,1155,1156,
igr2=1220,1221, 843, 844,
&end
#
# 51 GLU HG- 53 GLY HA+ 7.00 (# 2952:25 Unique 2.52, 3.83 A)
&rst
ixpk= 2952, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 821, 822,
igr2= 843, 844,
&end
#
# 22 THR HB 53 GLY HA+ 4.50 (# 2953:25 Preassigned 3.95, 4.74 A)
&rst
ixpk= 2953, nxpk= 25, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 843, 844,
&end
#
# 54 ARG HN 54 ARG HA 3.50 (# 2956:25 Preassigned 2.91, 2.91 A)
&rst
ixpk= 2956, nxpk= 25, iat= 848, 850, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 TYR HE1 54 ARG HA 4.50 (# 2957:25 Preassigned 4.35, 4.37 A)
&rst
ixpk= 2957, nxpk= 25, iat= 938, 850, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 THR HA 54 ARG HA 5.50 (# 2958:25 Preassigned 4.78, 4.81 A)
&rst
ixpk= 2958, nxpk= 25, iat= 342, 850, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 THR HB 54 ARG HA 5.50 (# 2959:25 Preassigned 5.70, 5.71 A)
&rst
ixpk= 2959, nxpk= 25, iat= 876, 850, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ARG HD+ 54 ARG HA 4.50 (# 2960:25 Preassigned 2.00, 3.36 A)
&rst
ixpk= 2960, nxpk= 25, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 858, 859,
&end
#
# 22 THR QG2 54 ARG HA 5.50 (# 2961:25 Preassigned 3.73, 4.85 A)
&rst
ixpk= 2961, nxpk= 25, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 346, 347, 348,
&end
#
# 55 THR QG2 54 ARG HA 4.50 (# 2962:25 Preassigned 3.73, 4.83 A)
&rst
ixpk= 2962, nxpk= 25, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 878, 879, 880,
&end
#
# 55 THR HN 54 ARG HG+ 4.50 (# 2963:25 Preassigned 4.13, 4.48 A)
&rst
ixpk= 2963, nxpk= 25, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 855, 856,
&end
#
# 51 GLU HN 54 ARG HG+ 5.50 (# 2964:25 Preassigned 3.19, 3.93 A)
&rst
ixpk= 2964, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 855, 856,
&end
#
# 54 ARG HN 54 ARG HG+ 4.50 (# 2965:25 Preassigned 2.96, 3.27 A)
&rst
ixpk= 2965, nxpk= 25, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 855, 856,
&end
#
# 0 AMB 25-3:2966 0 AMB 25-1:2966 5.50 (# 2966:25 Double Ambig)
&rst
ixpk= 2966, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 936, 945, 928,
igr2= 855, 856, 855, 856, 855, 856,
&end
#
# 59 TYR HE1 54 ARG HG+ 4.50 (# 2967:25 Preassigned 3.66, 4.11 A)
&rst
ixpk= 2967, nxpk= 25, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 855, 856,
&end
#
# 22 THR HB 54 ARG HG+ 7.00 (# 2968:25 Preassigned 7.02, 7.47 A)
&rst
ixpk= 2968, nxpk= 25, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 855, 856,
&end
#
# 54 ARG HA 54 ARG HG+ 4.50 (# 2969:25 Preassigned 2.37, 3.07 A)
&rst
ixpk= 2969, nxpk= 25, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 855, 856,
&end
#
# 51 GLU HA 54 ARG HG+ 5.50 (# 2970:25 Preassigned 5.20, 5.72 A)
&rst
ixpk= 2970, nxpk= 25, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 855, 856,
&end
#
# 50 LEU HA 54 ARG HG+ 5.50 (# 2971:25 Unique 4.37, 5.25 A)
&rst
ixpk= 2971, nxpk= 25, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 855, 856,
&end
#
# 54 ARG HD- 54 ARG HG+ 3.50 (# 2972:25 Preassigned 2.26, 2.71 A)
&rst
ixpk= 2972, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 858, 859,
igr2= 855, 856,
&end
#
# 54 ARG HB+ 54 ARG HG+ 3.50 (# 2973:25 Unique 2.21, 2.65 A)
&rst
ixpk= 2973, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 852, 853,
igr2= 855, 856,
&end
#
# 54 ARG HB- 54 ARG HG+ 3.50 (# 2974:25 Preassigned 2.21, 2.65 A)
&rst
ixpk= 2974, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 852, 853,
igr2= 855, 856,
&end
#
# 23 ILE HG1- 54 ARG HG+ 5.50 (# 2975:25 Preassigned 4.54, 5.19 A)
&rst
ixpk= 2975, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 364, 365,
igr2= 855, 856,
&end
#
# 55 THR QG2 54 ARG HG+ 5.50 (# 2976:25 Unique 6.16, 7.69 A)
&rst
ixpk= 2976, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 878, 879, 880,
igr2= 855, 856,
&end
#
# 0 AMB 25-3:2978 0 AMB 25-1:2978 3.50 (# 2978:25 Double Ambig)
&rst
ixpk= 2978, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1153,1177,
igr2=1158,1159,1158,1159,1182,
&end
#
# 0 AMB 25-3:2979 38 PRO HG- 3.50 (# 2979:25 Single Ambig)
&rst
ixpk= 2979, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 442, 607,
igr2= 601, 602,
&end
#
# 41 GLN HE2+ 38 PRO HG- 5.50 (# 2980:25 Preassigned 5.46, 6.17 A)
&rst
ixpk= 2980, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 652, 653,
igr2= 601, 602,
&end
#
# 54 ARG HN 54 ARG HG- 4.50 (# 2981:25 Preassigned 2.96, 3.27 A)
&rst
ixpk= 2981, nxpk= 25, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 855, 856,
&end
#
# 0 AMB 25-3:2982 0 AMB 25-1:2982 5.50 (# 2982:25 Double Ambig)
&rst
ixpk= 2982, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 657, 829,
igr2=1158,1159,1158,1159,1182,1158,1159,
&end
#
# 42 ARG HN 71 LEU HG 7.00 (# 2983:25 Unique 4.48, 4.71 A)
&rst
ixpk= 2983, nxpk= 25, iat= 657,1139, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 55 THR HN 54 ARG HD- 5.50 (# 2986:25 Preassigned 3.09, 3.79 A)
&rst
ixpk= 2986, nxpk= 25, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 858, 859,
&end
#
# 55 THR HN 54 ARG HD+ 5.50 (# 2987:25 Preassigned 3.09, 3.79 A)
&rst
ixpk= 2987, nxpk= 25, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 858, 859,
&end
#
# 51 GLU HN 54 ARG HD+ 5.50 (# 2988:25 Preassigned 4.88, 5.45 A)
&rst
ixpk= 2988, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 858, 859,
&end
#
# 51 GLU HN 54 ARG HD- 5.50 (# 2989:25 Preassigned 4.88, 5.45 A)
&rst
ixpk= 2989, nxpk= 25, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 858, 859,
&end
#
# 54 ARG HN 54 ARG HD- 5.50 (# 2990:25 Preassigned 3.19, 4.91 A)
&rst
ixpk= 2990, nxpk= 25, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 858, 859,
&end
#
# 0 AMB 25-3:2991 0 AMB 25-1:2991 5.50 (# 2991:25 Double Ambig)
&rst
ixpk= 2991, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 936, 945, 928,
igr2= 858, 859, 858, 859, 858, 859,
&end
#
# 0 AMB 25-3:2992 54 ARG HD- 5.50 (# 2992:25 Single Ambig)
&rst
ixpk= 2992, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 938, 943,
igr2= 858, 859,
&end
#
# 0 AMB 25-3:2993 0 AMB 25-1:2993 5.50 (# 2993:25 Double Ambig)
&rst
ixpk= 2993, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 938, 943,
igr2= 858, 859, 858, 859,
&end
#
# 54 ARG HA 54 ARG HD- 4.50 (# 2994:25 Preassigned 2.00, 3.36 A)
&rst
ixpk= 2994, nxpk= 25, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 858, 859,
&end
#
# 54 ARG HA 54 ARG HD+ 4.50 (# 2995:25 Preassigned 2.00, 3.36 A)
&rst
ixpk= 2995, nxpk= 25, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 858, 859,
&end
#
# 51 GLU HG+ 54 ARG HD+ 5.50 (# 2997:25 Preassigned 3.44, 4.97 A)
&rst
ixpk= 2997, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 821, 822,
igr2= 858, 859,
&end
#
# 51 GLU HG+ 54 ARG HD- 5.50 (# 2998:25 Preassigned 3.44, 4.97 A)
&rst
ixpk= 2998, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 821, 822,
igr2= 858, 859,
&end
#
# 55 THR QG2 55 THR HA 3.50 (# 2999:25 Preassigned 2.42, 2.96 A)
&rst
ixpk= 2999, nxpk= 25, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 878, 879, 880,
&end
#
# 55 THR HB 55 THR HA 3.50 (# 3000:25 Preassigned 2.55, 2.57 A)
&rst
ixpk= 3000, nxpk= 25, iat= 876, 874, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:3001 55 THR HA 4.50 (# 3001:25 Single Ambig)
&rst
ixpk= 3001, nxpk= 25, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 340, 916,
&end
#
# 56 LEU HN 55 THR HA 3.50 (# 3002:25 Preassigned 2.36, 2.37 A)
&rst
ixpk= 3002, nxpk= 25, iat= 886, 874, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 THR HN 55 THR HB 5.50 (# 3003:25 Preassigned 3.72, 3.74 A)
&rst
ixpk= 3003, nxpk= 25, iat= 872, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 SER HN 55 THR HB 4.50 (# 3004:25 Preassigned 2.94, 2.96 A)
&rst
ixpk= 3004, nxpk= 25, iat= 905, 876, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 ASP HN 55 THR HB 5.50 (# 3005:25 Preassigned 3.92, 4.00 A)
&rst
ixpk= 3005, nxpk= 25, iat= 328, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ASP HN 55 THR HB 5.50 (# 3006:25 Preassigned 3.35, 3.38 A)
&rst
ixpk= 3006, nxpk= 25, iat= 916, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 THR HA 55 THR HB 4.50 (# 3007:25 Preassigned 3.61, 3.67 A)
&rst
ixpk= 3007, nxpk= 25, iat= 342, 876, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:3008 55 THR HB 5.50 (# 3008:25 Single Ambig)
&rst
ixpk= 3008, nxpk= 25, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 330, 850,
&end
#
# 20 SER HA 55 THR HB 4.50 (# 3009:25 Preassigned 2.95, 2.98 A)
&rst
ixpk= 3009, nxpk= 25, iat= 319, 876, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 PRO HA 55 THR HB 5.50 (# 3010:25 Preassigned 5.15, 5.27 A)
&rst
ixpk= 3010, nxpk= 25, iat= 313, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 SER HA 55 THR HB 5.50 (# 3011:25 Preassigned 5.53, 5.55 A)
&rst
ixpk= 3011, nxpk= 25, iat= 907, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:3012 55 THR HB 4.50 (# 3012:25 Single Ambig)
&rst
ixpk= 3012, nxpk= 25, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 909, 910, 321, 322,
&end
#
# 0 AMB 25-3:3014 55 THR HB 5.50 (# 3014:25 Single Ambig)
&rst
ixpk= 3014, nxpk= 25, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 852, 853, 307, 308,
&end
#
# 56 LEU HG 55 THR HB 4.50 (# 3015:25 Preassigned 4.43, 4.48 A)
&rst
ixpk= 3015, nxpk= 25, iat= 893, 876, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 THR QG2 55 THR HB 4.50 (# 3016:25 Preassigned 4.54, 5.22 A)
&rst
ixpk= 3016, nxpk= 25, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 346, 347, 348,
&end
#
# 0 AMB 25-3:3017 55 THR HB 5.50 (# 3017:25 Single Ambig)
&rst
ixpk= 3017, nxpk= 25, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901,
&end
#
# 20 SER HA 55 THR QG2 4.50 (# 3018:25 Preassigned 3.60, 4.36 A)
&rst
ixpk= 3018, nxpk= 25, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 878, 879, 880,
&end
#
# 55 THR HB 55 THR QG2 3.50 (# 3019:25 Preassigned 2.27, 2.64 A)
&rst
ixpk= 3019, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 878, 879, 880,
&end
#
# 0 AMB 25-3:3020 55 THR QG2 4.50 (# 3020:25 Single Ambig)
&rst
ixpk= 3020, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 330, 850,
igr2= 878, 879, 880,
&end
#
# 55 THR HA 55 THR QG2 3.50 (# 3021:25 Preassigned 2.42, 2.96 A)
&rst
ixpk= 3021, nxpk= 25, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 878, 879, 880,
&end
#
# 22 THR HN 55 THR QG2 4.50 (# 3022:25 Unique 2.88, 3.83 A)
&rst
ixpk= 3022, nxpk= 25, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 878, 879, 880,
&end
#
# 56 LEU HN 55 THR QG2 3.50 (# 3023:25 Preassigned 3.60, 4.30 A)
&rst
ixpk= 3023, nxpk= 25, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 878, 879, 880,
&end
#
# 57 SER HN 56 LEU HA 4.50 (# 3024:25 Preassigned 3.56, 3.56 A)
&rst
ixpk= 3024, nxpk= 25, iat= 905, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 LEU HN 56 LEU HA 4.50 (# 3025:25 Preassigned 2.74, 2.74 A)
&rst
ixpk= 3025, nxpk= 25, iat= 886, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 ASP HN 56 LEU HA 5.50 (# 3026:25 Preassigned 4.02, 4.06 A)
&rst
ixpk= 3026, nxpk= 25, iat= 916, 888, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:3027 56 LEU HA 4.50 (# 3027:25 Single Ambig)
&rst
ixpk= 3027, nxpk= 25, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 936, 928,
&end
#
# 0 AMB 25-3:3028 56 LEU HA 5.50 (# 3028:25 Single Ambig)
&rst
ixpk= 3028, nxpk= 25, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 930, 850, 330,
&end
#
# 55 THR HB 56 LEU HA 5.50 (# 3029:25 Preassigned 4.69, 4.72 A)
&rst
ixpk= 3029, nxpk= 25, iat= 876, 888, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 SER HB- 56 LEU HA 5.50 (# 3030:25 Preassigned 5.64, 6.16 A)
&rst
ixpk= 3030, nxpk= 25, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 909, 910,
&end
#
# 59 TYR HB- 56 LEU HA 5.50 (# 3031:25 Preassigned 3.28, 4.18 A)
&rst
ixpk= 3031, nxpk= 25, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 932, 933,
&end
#
# 59 TYR HB+ 56 LEU HA 5.50 (# 3032:25 Preassigned 3.28, 4.18 A)
&rst
ixpk= 3032, nxpk= 25, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 932, 933,
&end
#
# 56 LEU HB+ 56 LEU HA 4.50 (# 3033:25 Preassigned 2.46, 2.74 A)
&rst
ixpk= 3033, nxpk= 25, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 890, 891,
&end
#
# 56 LEU HG 56 LEU HA 4.50 (# 3034:25 Preassigned 3.09, 3.31 A)
&rst
ixpk= 3034, nxpk= 25, iat= 893, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 ILE HB 56 LEU HA 4.50 (# 3035:25 Preassigned 2.70, 2.81 A)
&rst
ixpk= 3035, nxpk= 25, iat= 967, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 VAL QG+ 56 LEU HA 5.50 (# 3036:25 Preassigned 4.73, 6.34 A)
&rst
ixpk= 3036, nxpk= 25, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 408, 409, 410, 412, 413, 414,
&end
#
# 56 LEU QD- 56 LEU HA 4.50 (# 3037:25 Preassigned 1.93, 3.64 A)
&rst
ixpk= 3037, nxpk= 25, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 895, 896, 897, 899, 900, 901,
&end
#
# 61 ILE QG2 56 LEU HB+ 4.50 (# 3038:25 Unique 1.88, 3.74 A)
&rst
ixpk= 3038, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 969, 970, 971,
igr2= 890, 891,
&end
#
# 61 ILE HB 56 LEU HB+ 4.50 (# 3039:25 Preassigned 1.99, 2.76 A)
&rst
ixpk= 3039, nxpk= 25, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 890, 891,
&end
#
# 56 LEU HG 56 LEU HB+ 4.50 (# 3040:25 Preassigned 2.33, 2.68 A)
&rst
ixpk= 3040, nxpk= 25, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 890, 891,
&end
#
# 55 THR HB 56 LEU HB+ 5.50 (# 3041:25 Preassigned 3.90, 4.71 A)
&rst
ixpk= 3041, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 890, 891,
&end
#
# 55 THR HA 56 LEU HB+ 7.00 (# 3042:25 Preassigned 4.80, 5.37 A)
&rst
ixpk= 3042, nxpk= 25, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 890, 891,
&end
#
# 0 AMB 25-3:3043 0 AMB 25-1:3043 5.50 (# 3043:25 Double Ambig)
&rst
ixpk= 3043, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 963, 928, 994, 995,
igr2= 890, 891, 890, 891, 890, 891,
&end
#
# 58 ASP HN 56 LEU HB+ 7.00 (# 3044:25 Unique 4.58, 4.91 A)
&rst
ixpk= 3044, nxpk= 25, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 890, 891,
&end
#
# 56 LEU HN 56 LEU HB+ 4.50 (# 3045:25 Preassigned 2.42, 3.07 A)
&rst
ixpk= 3045, nxpk= 25, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 890, 891,
&end
#
# 57 SER HN 56 LEU HB+ 4.50 (# 3046:25 Preassigned 2.29, 2.85 A)
&rst
ixpk= 3046, nxpk= 25, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 890, 891,
&end
#
# 57 SER HN 56 LEU HB- 4.50 (# 3047:25 Preassigned 2.29, 2.85 A)
&rst
ixpk= 3047, nxpk= 25, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 890, 891,
&end
#
# 61 ILE HN 56 LEU HB- 5.50 (# 3048:25 Preassigned 4.21, 4.80 A)
&rst
ixpk= 3048, nxpk= 25, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 890, 891,
&end
#
# 55 THR HB 56 LEU HB- 5.50 (# 3049:25 Preassigned 3.90, 4.71 A)
&rst
ixpk= 3049, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 890, 891,
&end
#
# 19 PRO HB+ 56 LEU HB- 5.50 (# 3050:25 Preassigned 4.02, 4.40 A)
&rst
ixpk= 3050, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 310, 311,
igr2= 890, 891,
&end
#
# 56 LEU HG 56 LEU HB- 4.50 (# 3051:25 Preassigned 2.33, 2.68 A)
&rst
ixpk= 3051, nxpk= 25, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 890, 891,
&end
#
# 26 VAL QG+ 56 LEU HB- 7.00 (# 3052:25 Preassigned 5.08, 6.70 A)
&rst
ixpk= 3052, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 408, 409, 410, 412, 413, 414,
igr2= 890, 891,
&end
#
# 0 AMB 25-3:3053 56 LEU HG 4.50 (# 3053:25 Single Ambig)
&rst
ixpk= 3053, nxpk= 25, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 969, 970, 971, 976, 977, 978, 278, 279, 280, 282,
283, 284,
&end
#
# 56 LEU QD+ 56 LEU HG 3.50 (# 3054:25 Unique 2.21, 2.63 A)
&rst
ixpk= 3054, nxpk= 25, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 895, 896, 897, 899, 900, 901,
&end
#
# 56 LEU QD- 56 LEU HG 3.50 (# 3055:25 Preassigned 2.21, 2.63 A)
&rst
ixpk= 3055, nxpk= 25, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 895, 896, 897, 899, 900, 901,
&end
#
# 26 VAL QG+ 56 LEU HG 4.50 (# 3056:25 Preassigned 2.68, 4.65 A)
&rst
ixpk= 3056, nxpk= 25, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 408, 409, 410, 412, 413, 414,
&end
#
# 56 LEU HB- 56 LEU HG 4.50 (# 3057:25 Preassigned 2.33, 2.68 A)
&rst
ixpk= 3057, nxpk= 25, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 890, 891,
&end
#
# 56 LEU HB+ 56 LEU HG 4.50 (# 3058:25 Preassigned 2.33, 2.68 A)
&rst
ixpk= 3058, nxpk= 25, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 890, 891,
&end
#
# 21 ASP HB+ 56 LEU HG 5.50 (# 3059:25 Preassigned 2.92, 3.75 A)
&rst
ixpk= 3059, nxpk= 25, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 332, 333,
&end
#
# 56 LEU HA 56 LEU HG 4.50 (# 3060:25 Preassigned 3.09, 3.31 A)
&rst
ixpk= 3060, nxpk= 25, iat= 888, 893, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 THR HB 56 LEU HG 5.50 (# 3061:25 Preassigned 4.43, 4.48 A)
&rst
ixpk= 3061, nxpk= 25, iat= 876, 893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 THR HA 56 LEU HG 5.50 (# 3062:25 Preassigned 4.22, 4.25 A)
&rst
ixpk= 3062, nxpk= 25, iat= 874, 893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 LEU HN 56 LEU HG 4.50 (# 3063:25 Preassigned 2.25, 2.29 A)
&rst
ixpk= 3063, nxpk= 25, iat= 886, 893, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 SER HN 56 LEU HG 5.50 (# 3064:25 Preassigned 4.19, 4.24 A)
&rst
ixpk= 3064, nxpk= 25, iat= 905, 893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ILE HG1- 56 LEU QD+ 5.50 (# 3065:25 Preassigned 3.72, 6.00 A)
&rst
ixpk= 3065, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 973, 974,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 50 LEU QD- 56 LEU QD+ 5.50 (# 3066:25 Preassigned 3.85, 7.61 A)
&rst
ixpk= 3066, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 21 ASP HB- 56 LEU QD+ 5.50 (# 3068:25 Preassigned 3.12, 5.36 A)
&rst
ixpk= 3068, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 332, 333,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 59 TYR HB- 56 LEU QD+ 5.50 (# 3070:25 Preassigned 4.41, 7.16 A)
&rst
ixpk= 3070, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 932, 933,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 55 THR HB 56 LEU QD+ 5.50 (# 3071:25 Preassigned 5.25, 6.37 A)
&rst
ixpk= 3071, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 25-3:3072 0 AMB 25-1:3072 5.50 (# 3072:25 Double Ambig)
&rst
ixpk= 3072, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 274, 330,
igr2= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
&end
#
# 22 THR HA 56 LEU QD+ 5.50 (# 3073:25 Preassigned 4.89, 6.85 A)
&rst
ixpk= 3073, nxpk= 25, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 55 THR HA 56 LEU QD+ 5.50 (# 3074:25 Preassigned 4.03, 5.94 A)
&rst
ixpk= 3074, nxpk= 25, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 59 TYR HE1 56 LEU QD+ 7.00 (# 3075:25 Preassigned 5.28, 7.40 A)
&rst
ixpk= 3075, nxpk= 25, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 895, 896, 897, 899, 900, 901,
&end
#
# 0 AMB 25-3:3076 0 AMB 25-1:3076 5.50 (# 3076:25 Double Ambig)
&rst
ixpk= 3076, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 916, 340,
igr2= 895, 896, 897, 899, 900, 901, 895, 896, 897, 899,
900, 901,
&end
#
# 0 AMB 25-3:3077 70 VAL HA 4.50 (# 3077:25 Single Ambig)
&rst
ixpk= 3077, nxpk= 25, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1116, 129,
&end
#
# 58 ASP HN 57 SER HA 4.50 (# 3078:25 Preassigned 3.46, 3.47 A)
&rst
ixpk= 3078, nxpk= 25, iat= 916, 907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:3079 57 SER HA 4.50 (# 3079:25 Single Ambig)
&rst
ixpk= 3079, nxpk= 25, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 994, 995, 963,
&end
#
# 19 PRO HB+ 57 SER HA 5.50 (# 3080:25 Preassigned 3.84, 4.21 A)
&rst
ixpk= 3080, nxpk= 25, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 310, 311,
&end
#
# 19 PRO HG- 57 SER HA 5.50 (# 3081:25 Preassigned 6.12, 6.28 A)
&rst
ixpk= 3081, nxpk= 25, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 307, 308,
&end
#
# 55 THR QG2 57 SER HB+ 5.50 (# 3082:25 Preassigned 5.25, 6.78 A)
&rst
ixpk= 3082, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 878, 879, 880,
igr2= 909, 910,
&end
#
# 19 PRO HB- 57 SER HB+ 4.50 (# 3083:25 Preassigned 2.23, 4.35 A)
&rst
ixpk= 3083, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 310, 311,
igr2= 909, 910,
&end
#
# 19 PRO HG+ 57 SER HB+ 5.50 (# 3084:25 Preassigned 4.17, 5.78 A)
&rst
ixpk= 3084, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 307, 308,
igr2= 909, 910,
&end
#
# 19 PRO HB+ 57 SER HB+ 4.50 (# 3085:25 Preassigned 2.23, 4.35 A)
&rst
ixpk= 3085, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 310, 311,
igr2= 909, 910,
&end
#
# 19 PRO HA 57 SER HB+ 4.50 (# 3086:25 Preassigned 3.78, 5.01 A)
&rst
ixpk= 3086, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 909, 910,
&end
#
# 20 SER HA 57 SER HB+ 4.50 (# 3087:25 Unique 3.09, 4.13 A)
&rst
ixpk= 3087, nxpk= 25, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 909, 910,
&end
#
# 55 THR HB 57 SER HB+ 4.50 (# 3088:25 Preassigned 3.62, 4.63 A)
&rst
ixpk= 3088, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 909, 910,
&end
#
# 59 TYR HA 57 SER HB+ 7.00 (# 3089:25 Preassigned 7.28, 7.62 A)
&rst
ixpk= 3089, nxpk= 25, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 909, 910,
&end
#
# 59 TYR HN 57 SER HB+ 5.50 (# 3090:25 Preassigned 4.83, 5.00 A)
&rst
ixpk= 3090, nxpk= 25, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 909, 910,
&end
#
# 58 ASP HN 57 SER HB+ 4.50 (# 3091:25 Preassigned 3.08, 3.54 A)
&rst
ixpk= 3091, nxpk= 25, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 909, 910,
&end
#
# 0 AMB 25-3:3092 0 AMB 25-1:3092 4.50 (# 3092:25 Double Ambig)
&rst
ixpk= 3092, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 886, 949,
igr2= 909, 910, 909, 910,
&end
#
# 55 THR HN 57 SER HB- 7.00 (# 3093:25 Preassigned 5.90, 6.58 A)
&rst
ixpk= 3093, nxpk= 25, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 909, 910,
&end
#
# 0 AMB 25-3:3094 57 SER HB- 4.50 (# 3094:25 Single Ambig)
&rst
ixpk= 3094, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 886, 949,
igr2= 909, 910,
&end
#
# 58 ASP HN 57 SER HB- 4.50 (# 3095:25 Preassigned 3.08, 3.54 A)
&rst
ixpk= 3095, nxpk= 25, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 909, 910,
&end
#
# 59 TYR HN 57 SER HB- 5.50 (# 3096:25 Preassigned 4.83, 5.00 A)
&rst
ixpk= 3096, nxpk= 25, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 909, 910,
&end
#
# 59 TYR HA 57 SER HB- 7.00 (# 3097:25 Preassigned 7.28, 7.62 A)
&rst
ixpk= 3097, nxpk= 25, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 909, 910,
&end
#
# 55 THR HB 57 SER HB- 4.50 (# 3098:25 Preassigned 3.62, 4.63 A)
&rst
ixpk= 3098, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 909, 910,
&end
#
# 20 SER HA 57 SER HB- 4.50 (# 3099:25 Unique 3.09, 4.13 A)
&rst
ixpk= 3099, nxpk= 25, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 909, 910,
&end
#
# 19 PRO HA 57 SER HB- 4.50 (# 3100:25 Preassigned 3.78, 5.01 A)
&rst
ixpk= 3100, nxpk= 25, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 909, 910,
&end
#
# 19 PRO HB+ 57 SER HB- 4.50 (# 3101:25 Preassigned 2.23, 4.35 A)
&rst
ixpk= 3101, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 310, 311,
igr2= 909, 910,
&end
#
# 19 PRO HG+ 57 SER HB- 5.50 (# 3102:25 Preassigned 4.17, 5.78 A)
&rst
ixpk= 3102, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 307, 308,
igr2= 909, 910,
&end
#
# 19 PRO HB- 57 SER HB- 4.50 (# 3103:25 Preassigned 2.23, 4.35 A)
&rst
ixpk= 3103, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 310, 311,
igr2= 909, 910,
&end
#
# 1 MET QE 57 SER HB- 5.50 (# 3104:25 Preassigned 5.35, 7.52 A)
&rst
ixpk= 3104, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 15, 16, 17,
igr2= 909, 910,
&end
#
# 55 THR QG2 57 SER HB- 5.50 (# 3105:25 Preassigned 5.25, 6.78 A)
&rst
ixpk= 3105, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 878, 879, 880,
igr2= 909, 910,
&end
#
# 55 THR HN 58 ASP HA 5.50 (# 3106:25 Preassigned 4.60, 4.63 A)
&rst
ixpk= 3106, nxpk= 25, iat= 872, 918, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 THR HN 58 ASP HB+ 3.50 (# 3107:25 Preassigned 1.96, 2.18 A)
&rst
ixpk= 3107, nxpk= 25, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 920, 921,
&end
#
# 0 AMB 25-3:3108 0 AMB 25-1:3108 5.50 (# 3108:25 Double Ambig)
&rst
ixpk= 3108, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 905, 814,
igr2= 920, 921, 920, 921,
&end
#
# 0 AMB 25-3:3109 0 AMB 25-1:3109 7.00 (# 3109:25 Double Ambig)
&rst
ixpk= 3109, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 886, 949,
igr2= 920, 921, 920, 921,
&end
#
# 54 ARG HN 58 ASP HB+ 5.50 (# 3110:25 Preassigned 5.85, 6.19 A)
&rst
ixpk= 3110, nxpk= 25, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 920, 921,
&end
#
# 0 AMB 25-3:3111 0 AMB 25-1:3111 4.50 (# 3111:25 Double Ambig)
&rst
ixpk= 3111, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 936, 928,
igr2= 920, 921, 920, 921,
&end
#
# 59 TYR HE1 58 ASP HB+ 5.50 (# 3112:25 Preassigned 3.58, 4.34 A)
&rst
ixpk= 3112, nxpk= 25, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 920, 921,
&end
#
# 0 AMB 25-3:3113 0 AMB 25-1:3113 4.50 (# 3113:25 Double Ambig)
&rst
ixpk= 3113, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 850, 930,
igr2= 920, 921, 920, 921,
&end
#
# 55 THR HB 58 ASP HB+ 5.50 (# 3114:25 Preassigned 3.78, 4.47 A)
&rst
ixpk= 3114, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 920, 921,
&end
#
# 58 ASP HA 58 ASP HB+ 3.50 (# 3115:25 Preassigned 2.53, 2.82 A)
&rst
ixpk= 3115, nxpk= 25, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 920, 921,
&end
#
# 54 ARG HB- 58 ASP HB+ 4.50 (# 3116:25 Preassigned 2.32, 3.76 A)
&rst
ixpk= 3116, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 852, 853,
igr2= 920, 921,
&end
#
# 54 ARG HG+ 58 ASP HB+ 5.50 (# 3117:25 Preassigned 3.90, 5.18 A)
&rst
ixpk= 3117, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 855, 856,
igr2= 920, 921,
&end
#
# 54 ARG HG- 58 ASP HB+ 5.50 (# 3118:25 Preassigned 3.90, 5.18 A)
&rst
ixpk= 3118, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 855, 856,
igr2= 920, 921,
&end
#
# 55 THR QG2 58 ASP HB+ 5.50 (# 3119:25 Unique 4.35, 5.43 A)
&rst
ixpk= 3119, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 878, 879, 880,
igr2= 920, 921,
&end
#
# 55 THR QG2 58 ASP HB- 5.50 (# 3120:25 Unique 4.35, 5.43 A)
&rst
ixpk= 3120, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 878, 879, 880,
igr2= 920, 921,
&end
#
# 54 ARG HG- 58 ASP HB- 5.50 (# 3121:25 Preassigned 3.90, 5.18 A)
&rst
ixpk= 3121, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 855, 856,
igr2= 920, 921,
&end
#
# 54 ARG HG+ 58 ASP HB- 5.50 (# 3122:25 Preassigned 3.90, 5.18 A)
&rst
ixpk= 3122, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 855, 856,
igr2= 920, 921,
&end
#
# 54 ARG HB- 58 ASP HB- 4.50 (# 3123:25 Preassigned 2.32, 3.76 A)
&rst
ixpk= 3123, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 852, 853,
igr2= 920, 921,
&end
#
# 55 THR HB 58 ASP HB- 7.00 (# 3124:25 Preassigned 3.78, 4.47 A)
&rst
ixpk= 3124, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 920, 921,
&end
#
# 0 AMB 25-3:3125 58 ASP HB- 5.50 (# 3125:25 Single Ambig)
&rst
ixpk= 3125, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 850, 930,
igr2= 920, 921,
&end
#
# 59 TYR HE1 58 ASP HB- 5.50 (# 3126:25 Preassigned 3.58, 4.34 A)
&rst
ixpk= 3126, nxpk= 25, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 920, 921,
&end
#
# 0 AMB 25-3:3127 0 AMB 25-1:3127 3.50 (# 3127:25 Double Ambig)
&rst
ixpk= 3127, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 936, 945, 928,
igr2= 932, 933, 932, 933, 932, 933,
&end
#
# 0 AMB 25-3:3128 58 ASP HB- 4.50 (# 3128:25 Single Ambig)
&rst
ixpk= 3128, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 936, 928,
igr2= 920, 921,
&end
#
# 54 ARG HN 58 ASP HB- 5.50 (# 3129:25 Preassigned 5.85, 6.19 A)
&rst
ixpk= 3129, nxpk= 25, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 920, 921,
&end
#
# 0 AMB 25-3:3130 58 ASP HB- 7.00 (# 3130:25 Single Ambig)
&rst
ixpk= 3130, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 886, 949,
igr2= 920, 921,
&end
#
# 0 AMB 25-3:3131 58 ASP HB- 7.00 (# 3131:25 Single Ambig)
&rst
ixpk= 3131, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 905, 814,
igr2= 920, 921,
&end
#
# 55 THR HN 58 ASP HB- 4.50 (# 3132:25 Preassigned 1.96, 2.18 A)
&rst
ixpk= 3132, nxpk= 25, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 920, 921,
&end
#
# 60 ASN HN 59 TYR HA 4.50 (# 3133:25 Preassigned 3.05, 3.06 A)
&rst
ixpk= 3133, nxpk= 25, iat= 949, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 PHE HZ 59 TYR HA 7.00 (# 3134:25 Preassigned 6.86, 7.09 A)
&rst
ixpk= 3134, nxpk= 25, iat= 731, 930, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 60 ASN HD2- 59 TYR HA 5.50 (# 3135:25 Unique 2.74, 5.28 A)
&rst
ixpk= 3135, nxpk= 25, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 958, 959,
&end
#
# 61 ILE HG1- 59 TYR HB+ 5.50 (# 3136:25 Preassigned 2.56, 3.63 A)
&rst
ixpk= 3136, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 973, 974,
igr2= 932, 933,
&end
#
# 50 LEU QD- 59 TYR HB+ 5.50 (# 3137:25 Preassigned 2.69, 4.53 A)
&rst
ixpk= 3137, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 932, 933,
&end
#
# 61 ILE QD1 59 TYR HB+ 3.50 (# 3138:25 Preassigned 1.97, 3.19 A)
&rst
ixpk= 3138, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 976, 977, 978,
igr2= 932, 933,
&end
#
# 0 AMB 25-3:3139 0 AMB 25-1:3139 5.50 (# 3139:25 Double Ambig)
&rst
ixpk= 3139, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901,
igr2= 932, 933, 932, 933,
&end
#
# 61 ILE HG1+ 59 TYR HB+ 4.50 (# 3140:25 Preassigned 2.56, 3.63 A)
&rst
ixpk= 3140, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 973, 974,
igr2= 932, 933,
&end
#
# 61 ILE HB 59 TYR HB+ 7.00 (# 3141:25 Preassigned 3.53, 4.40 A)
&rst
ixpk= 3141, nxpk= 25, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 932, 933,
&end
#
# 56 LEU HA 59 TYR HB+ 5.50 (# 3142:25 Preassigned 3.28, 4.18 A)
&rst
ixpk= 3142, nxpk= 25, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 932, 933,
&end
#
# 60 ASN HA 59 TYR HB+ 5.50 (# 3143:25 Preassigned 5.62, 5.77 A)
&rst
ixpk= 3143, nxpk= 25, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 932, 933,
&end
#
# 59 TYR HA 59 TYR HB+ 4.50 (# 3144:25 Preassigned 2.50, 2.77 A)
&rst
ixpk= 3144, nxpk= 25, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 932, 933,
&end
#
# 0 AMB 25-3:3145 0 AMB 25-1:3145 5.50 (# 3145:25 Double Ambig)
&rst
ixpk= 3145, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 958, 959, 938, 943,
igr2= 932, 933, 932, 933, 932, 933,
&end
#
# 58 ASP HN 59 TYR HB+ 7.00 (# 3146:25 Preassigned 4.66, 5.40 A)
&rst
ixpk= 3146, nxpk= 25, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 932, 933,
&end
#
# 60 ASN HN 59 TYR HB+ 5.50 (# 3147:25 Preassigned 3.91, 4.15 A)
&rst
ixpk= 3147, nxpk= 25, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 932, 933,
&end
#
# 60 ASN HN 59 TYR HB- 5.50 (# 3148:25 Preassigned 3.91, 4.15 A)
&rst
ixpk= 3148, nxpk= 25, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 932, 933,
&end
#
# 45 PHE HE2 59 TYR HB- 5.50 (# 3149:25 Preassigned 3.61, 4.22 A)
&rst
ixpk= 3149, nxpk= 25, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 932, 933,
&end
#
# 0 AMB 25-3:3150 59 TYR HB- 5.50 (# 3150:25 Single Ambig)
&rst
ixpk= 3150, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 958, 959, 938, 943,
igr2= 932, 933,
&end
#
# 59 TYR HA 59 TYR HB- 3.50 (# 3151:25 Preassigned 2.50, 2.77 A)
&rst
ixpk= 3151, nxpk= 25, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 932, 933,
&end
#
# 56 LEU HA 59 TYR HB- 5.50 (# 3152:25 Preassigned 3.28, 4.18 A)
&rst
ixpk= 3152, nxpk= 25, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 932, 933,
&end
#
# 0 AMB 25-3:3153 59 TYR HB- 4.50 (# 3153:25 Single Ambig)
&rst
ixpk= 3153, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 953, 954, 965,
igr2= 932, 933,
&end
#
# 61 ILE HB 59 TYR HB- 5.50 (# 3154:25 Preassigned 3.53, 4.40 A)
&rst
ixpk= 3154, nxpk= 25, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 932, 933,
&end
#
# 61 ILE HG1+ 59 TYR HB- 4.50 (# 3155:25 Preassigned 2.56, 3.63 A)
&rst
ixpk= 3155, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 973, 974,
igr2= 932, 933,
&end
#
# 0 AMB 25-3:3156 59 TYR HB- 5.50 (# 3156:25 Single Ambig)
&rst
ixpk= 3156, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 367, 368, 369, 895, 896, 897, 899, 900, 901,
igr2= 932, 933,
&end
#
# 61 ILE QD1 59 TYR HB- 4.50 (# 3157:25 Preassigned 1.97, 3.19 A)
&rst
ixpk= 3157, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 976, 977, 978,
igr2= 932, 933,
&end
#
# 50 LEU QD- 59 TYR HB- 5.50 (# 3158:25 Preassigned 2.69, 4.53 A)
&rst
ixpk= 3158, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 932, 933,
&end
#
# 61 ILE HG1- 59 TYR HB- 5.50 (# 3159:25 Preassigned 2.56, 3.63 A)
&rst
ixpk= 3159, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 973, 974,
igr2= 932, 933,
&end
#
# 0 AMB 25-3:3160 60 ASN HA 5.50 (# 3160:25 Single Ambig)
&rst
ixpk= 3160, nxpk= 25, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 976, 977, 978, 969, 970, 971,
&end
#
# 61 ILE HG1+ 60 ASN HA 5.50 (# 3161:25 Preassigned 4.82, 5.69 A)
&rst
ixpk= 3161, nxpk= 25, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 973, 974,
&end
#
# 61 ILE HB 60 ASN HA 5.50 (# 3162:25 Preassigned 5.32, 5.43 A)
&rst
ixpk= 3162, nxpk= 25, iat= 967, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLN HG- 60 ASN HA 4.50 (# 3163:25 Preassigned 3.34, 4.15 A)
&rst
ixpk= 3163, nxpk= 25, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 989, 990,
&end
#
# 59 TYR HA 60 ASN HA 5.50 (# 3164:25 Preassigned 4.92, 4.93 A)
&rst
ixpk= 3164, nxpk= 25, iat= 930, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HD2- 60 ASN HA 5.50 (# 3165:25 Preassigned 2.08, 2.96 A)
&rst
ixpk= 3165, nxpk= 25, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 958, 959,
&end
#
# 60 ASN HD2+ 60 ASN HA 5.50 (# 3166:25 Preassigned 2.08, 2.96 A)
&rst
ixpk= 3166, nxpk= 25, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 958, 959,
&end
#
# 60 ASN HN 60 ASN HB+ 4.50 (# 3167:25 Preassigned 3.21, 3.65 A)
&rst
ixpk= 3167, nxpk= 25, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 953, 954,
&end
#
# 45 PHE HZ 60 ASN HB+ 5.50 (# 3168:25 Preassigned 3.99, 4.68 A)
&rst
ixpk= 3168, nxpk= 25, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 953, 954,
&end
#
# 0 AMB 25-3:3169 0 AMB 25-1:3169 4.50 (# 3169:25 Double Ambig)
&rst
ixpk= 3169, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 994, 995, 963, 735,
igr2= 953, 954, 953, 954, 953, 954,
&end
#
# 60 ASN HD2- 60 ASN HB+ 4.50 (# 3170:25 Preassigned 2.43, 3.49 A)
&rst
ixpk= 3170, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 958, 959,
igr2= 953, 954,
&end
#
# 59 TYR HA 60 ASN HB+ 5.50 (# 3171:25 Preassigned 3.79, 4.57 A)
&rst
ixpk= 3171, nxpk= 25, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 953, 954,
&end
#
# 59 TYR HA 60 ASN HB- 5.50 (# 3172:25 Preassigned 3.79, 4.57 A)
&rst
ixpk= 3172, nxpk= 25, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 953, 954,
&end
#
# 60 ASN HD2- 60 ASN HB- 4.50 (# 3173:25 Preassigned 2.43, 3.49 A)
&rst
ixpk= 3173, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 958, 959,
igr2= 953, 954,
&end
#
# 0 AMB 25-3:3174 60 ASN HB- 4.50 (# 3174:25 Single Ambig)
&rst
ixpk= 3174, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 994, 995, 963, 735,
igr2= 953, 954,
&end
#
# 60 ASN HD2+ 60 ASN HB- 4.50 (# 3175:25 Preassigned 2.43, 3.49 A)
&rst
ixpk= 3175, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 958, 959,
igr2= 953, 954,
&end
#
# 60 ASN HN 61 ILE HA 5.50 (# 3176:25 Preassigned 5.15, 5.17 A)
&rst
ixpk= 3176, nxpk= 25, iat= 949, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 SER HN 61 ILE HA 7.00 (# 3177:25 Preassigned 5.66, 5.72 A)
&rst
ixpk= 3177, nxpk= 25, iat=1036, 965, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:3178 61 ILE HA 4.50 (# 3178:25 Single Ambig)
&rst
ixpk= 3178, nxpk= 25, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 731, 733, 729,
&end
#
# 62 GLN HA 61 ILE HA 4.50 (# 3179:25 Preassigned 4.40, 4.41 A)
&rst
ixpk= 3179, nxpk= 25, iat= 984, 965, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ASN HA 61 ILE HA 5.50 (# 3180:25 Preassigned 4.52, 4.64 A)
&rst
ixpk= 3180, nxpk= 25, iat= 951, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PRO HA 61 ILE HA 7.00 (# 3181:25 Preassigned 6.30, 6.39 A)
&rst
ixpk= 3181, nxpk= 25, iat= 313, 965, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 65 SER HB+ 61 ILE HA 4.50 (# 3182:25 Preassigned 3.42, 3.69 A)
&rst
ixpk= 3182, nxpk= 25, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1040,1041,
&end
#
# 65 SER HB- 61 ILE HA 5.50 (# 3183:25 Preassigned 3.42, 3.69 A)
&rst
ixpk= 3183, nxpk= 25, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1040,1041,
&end
#
# 59 TYR HB+ 61 ILE HA 5.50 (# 3184:25 Preassigned 5.03, 5.49 A)
&rst
ixpk= 3184, nxpk= 25, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 932, 933,
&end
#
# 62 GLN HG- 61 ILE HA 4.50 (# 3185:25 Preassigned 3.76, 4.78 A)
&rst
ixpk= 3185, nxpk= 25, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 989, 990,
&end
#
# 0 AMB 25-3:3186 61 ILE HA 4.50 (# 3186:25 Single Ambig)
&rst
ixpk= 3186, nxpk= 25, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 986, 987, 986, 987,
&end
#
# 1 MET QE 61 ILE HA 5.50 (# 3187:25 Preassigned 5.00, 5.96 A)
&rst
ixpk= 3187, nxpk= 25, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 15, 16, 17,
&end
#
# 61 ILE HB 61 ILE HA 4.50 (# 3188:25 Preassigned 3.02, 3.02 A)
&rst
ixpk= 3188, nxpk= 25, iat= 967, 965, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 ILE HG1+ 61 ILE HA 3.50 (# 3189:25 Preassigned 2.60, 2.73 A)
&rst
ixpk= 3189, nxpk= 25, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 973, 974,
&end
#
# 0 AMB 25-3:3190 61 ILE HA 4.50 (# 3190:25 Single Ambig)
&rst
ixpk= 3190, nxpk= 25, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 44, 45, 46, 895, 896, 897, 899, 900, 901,1070,
1071,1072,1074,1075,1076,
&end
#
# 61 ILE HG1- 61 ILE HB 4.50 (# 3191:25 Preassigned 2.62, 2.81 A)
&rst
ixpk= 3191, nxpk= 25, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 973, 974,
&end
#
# 0 AMB 25-3:3192 61 ILE HB 2.80 (# 3192:25 Single Ambig)
&rst
ixpk= 3192, nxpk= 25, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 969, 970, 971, 976, 977, 978,
&end
#
# 0 AMB 25-3:3193 61 ILE HB 3.50 (# 3193:25 Single Ambig)
&rst
ixpk= 3193, nxpk= 25, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 895, 896, 897, 899, 900, 901, 44, 45, 46,1070,
1071,1072,1074,1075,1076,
&end
#
# 56 LEU QD- 61 ILE HB 4.50 (# 3194:25 Preassigned 3.23, 4.54 A)
&rst
ixpk= 3194, nxpk= 25, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 895, 896, 897, 899, 900, 901,
&end
#
# 61 ILE HG1+ 61 ILE HB 3.50 (# 3195:25 Preassigned 2.62, 2.81 A)
&rst
ixpk= 3195, nxpk= 25, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 973, 974,
&end
#
# 56 LEU HB- 61 ILE HB 4.50 (# 3196:25 Preassigned 1.99, 2.76 A)
&rst
ixpk= 3196, nxpk= 25, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 890, 891,
&end
#
# 1 MET QE 61 ILE HB 5.50 (# 3197:25 Preassigned 4.16, 4.93 A)
&rst
ixpk= 3197, nxpk= 25, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 15, 16, 17,
&end
#
# 0 AMB 25-3:3198 61 ILE HB 5.50 (# 3198:25 Single Ambig)
&rst
ixpk= 3198, nxpk= 25, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 893, 42,
&end
#
# 56 LEU HB+ 61 ILE HB 4.50 (# 3199:25 Preassigned 1.99, 2.76 A)
&rst
ixpk= 3199, nxpk= 25, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 890, 891,
&end
#
# 59 TYR HB+ 61 ILE HB 5.50 (# 3200:25 Preassigned 3.53, 4.40 A)
&rst
ixpk= 3200, nxpk= 25, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 932, 933,
&end
#
# 61 ILE HA 61 ILE HB 4.50 (# 3201:25 Preassigned 3.02, 3.02 A)
&rst
ixpk= 3201, nxpk= 25, iat= 965, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 LEU HA 61 ILE HB 4.50 (# 3202:25 Preassigned 2.70, 2.81 A)
&rst
ixpk= 3202, nxpk= 25, iat= 888, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ASN HA 61 ILE HB 5.50 (# 3203:25 Preassigned 5.32, 5.43 A)
&rst
ixpk= 3203, nxpk= 25, iat= 951, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ILE HN 61 ILE HB 3.50 (# 3204:25 Preassigned 2.45, 2.48 A)
&rst
ixpk= 3204, nxpk= 25, iat= 963, 967, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 GLN HN 61 ILE HB 5.50 (# 3205:25 Preassigned 4.46, 4.47 A)
&rst
ixpk= 3205, nxpk= 25, iat= 982, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:3206 61 ILE HB 4.50 (# 3206:25 Single Ambig)
&rst
ixpk= 3206, nxpk= 25, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 949, 886,
&end
#
# 60 ASN HN 61 ILE HG1+ 7.00 (# 3207:25 Preassigned 4.25, 5.20 A)
&rst
ixpk= 3207, nxpk= 25, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 973, 974,
&end
#
# 62 GLN HN 61 ILE HG1+ 4.50 (# 3208:25 Preassigned 4.77, 4.87 A)
&rst
ixpk= 3208, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 973, 974,
&end
#
# 0 AMB 25-3:3209 0 AMB 25-1:3209 5.50 (# 3209:25 Double Ambig)
&rst
ixpk= 3209, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 733, 731, 729,
igr2= 973, 974, 973, 974, 973, 974,
&end
#
# 61 ILE HN 61 ILE HG1+ 3.50 (# 3210:25 Unique 2.21, 3.22 A)
&rst
ixpk= 3210, nxpk= 25, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 973, 974,
&end
#
# 59 TYR HB- 61 ILE HG1+ 4.50 (# 3211:25 Preassigned 2.56, 3.63 A)
&rst
ixpk= 3211, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 932, 933,
igr2= 973, 974,
&end
#
# 61 ILE HA 61 ILE HG1+ 4.50 (# 3212:25 Preassigned 2.60, 2.73 A)
&rst
ixpk= 3212, nxpk= 25, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 973, 974,
&end
#
# 59 TYR HB+ 61 ILE HG1+ 4.50 (# 3213:25 Preassigned 2.56, 3.63 A)
&rst
ixpk= 3213, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 932, 933,
igr2= 973, 974,
&end
#
# 61 ILE HB 61 ILE HG1+ 4.50 (# 3214:25 Preassigned 2.62, 2.81 A)
&rst
ixpk= 3214, nxpk= 25, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 973, 974,
&end
#
# 0 AMB 25-3:3215 0 AMB 25-1:3215 4.50 (# 3215:25 Double Ambig)
&rst
ixpk= 3215, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1070,1071,1072,1074,1075,1076, 895, 896, 897, 899,
900, 901, 44, 45, 46,
igr2= 973, 974, 973, 974, 973, 974,
&end
#
# 0 AMB 25-3:3216 0 AMB 25-1:3216 3.50 (# 3216:25 Double Ambig)
&rst
ixpk= 3216, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 969, 970, 971, 976, 977, 978,
igr2= 973, 974, 973, 974,
&end
#
# 0 AMB 25-3:3217 61 ILE HG1- 3.50 (# 3217:25 Single Ambig)
&rst
ixpk= 3217, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 969, 970, 971, 976, 977, 978,
igr2= 973, 974,
&end
#
# 0 AMB 25-3:3218 61 ILE HG1- 4.50 (# 3218:25 Single Ambig)
&rst
ixpk= 3218, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1070,1071,1072,1074,1075,1076, 895, 896, 897, 899,
900, 901, 44, 45, 46,
igr2= 973, 974,
&end
#
# 61 ILE HB 61 ILE HG1- 4.50 (# 3219:25 Preassigned 2.62, 2.81 A)
&rst
ixpk= 3219, nxpk= 25, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 973, 974,
&end
#
# 59 TYR HB+ 61 ILE HG1- 5.50 (# 3220:25 Preassigned 2.56, 3.63 A)
&rst
ixpk= 3220, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 932, 933,
igr2= 973, 974,
&end
#
# 61 ILE HA 61 ILE HG1- 4.50 (# 3221:25 Preassigned 2.60, 2.73 A)
&rst
ixpk= 3221, nxpk= 25, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 973, 974,
&end
#
# 59 TYR HB- 61 ILE HG1- 5.50 (# 3222:25 Preassigned 2.56, 3.63 A)
&rst
ixpk= 3222, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 932, 933,
igr2= 973, 974,
&end
#
# 61 ILE HN 61 ILE HG1- 4.50 (# 3223:25 Unique 2.21, 3.22 A)
&rst
ixpk= 3223, nxpk= 25, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 973, 974,
&end
#
# 0 AMB 25-3:3224 61 ILE HG1- 5.50 (# 3224:25 Single Ambig)
&rst
ixpk= 3224, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 733, 731, 729,
igr2= 973, 974,
&end
#
# 62 GLN HN 61 ILE HG1- 5.50 (# 3225:25 Preassigned 4.77, 4.87 A)
&rst
ixpk= 3225, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 973, 974,
&end
#
# 66 THR HN 61 ILE QG2 5.50 (# 3226:25 Preassigned 4.76, 5.98 A)
&rst
ixpk= 3226, nxpk= 25, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 969, 970, 971,
&end
#
# 4 PHE HN 61 ILE QG2 5.50 (# 3227:25 Preassigned 5.62, 6.31 A)
&rst
ixpk= 3227, nxpk= 25, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 969, 970, 971,
&end
#
# 63 LYS HN 61 ILE QG2 5.50 (# 3228:25 Unique 3.12, 3.96 A)
&rst
ixpk= 3228, nxpk= 25, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 969, 970, 971,
&end
#
# 0 AMB 25-3:3229 61 ILE QG2 5.50 (# 3229:25 Single Ambig)
&rst
ixpk= 3229, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 886, 949,
igr2= 969, 970, 971,
&end
#
# 65 SER HG 61 ILE QG2 5.50 (# 3230:25 Unique 2.44, 4.01 A)
&rst
ixpk= 3230, nxpk= 25, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 969, 970, 971,
&end
#
# 67 LEU HA 61 ILE QG2 7.00 (# 3231:25 Preassigned 5.79, 7.08 A)
&rst
ixpk= 3231, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 969, 970, 971,
&end
#
# 60 ASN HA 61 ILE QG2 7.00 (# 3232:25 Preassigned 6.65, 7.14 A)
&rst
ixpk= 3232, nxpk= 25, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 969, 970, 971,
&end
#
# 59 TYR HB- 61 ILE QG2 5.50 (# 3233:25 Preassigned 5.32, 6.24 A)
&rst
ixpk= 3233, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 932, 933,
igr2= 969, 970, 971,
&end
#
# 45 PHE HB+ 61 ILE QG2 5.50 (# 3234:25 Preassigned 6.40, 7.86 A)
&rst
ixpk= 3234, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 723, 724,
igr2= 969, 970, 971,
&end
#
# 45 PHE HB- 61 ILE QG2 5.50 (# 3235:25 Preassigned 6.40, 7.86 A)
&rst
ixpk= 3235, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 723, 724,
igr2= 969, 970, 971,
&end
#
# 0 AMB 25-3:3236 61 ILE QG2 5.50 (# 3236:25 Single Ambig)
&rst
ixpk= 3236, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 932, 933, 11, 12,
igr2= 969, 970, 971,
&end
#
# 61 ILE HG1- 61 ILE QD1 3.50 (# 3237:25 Preassigned 2.31, 2.62 A)
&rst
ixpk= 3237, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 973, 974,
igr2= 976, 977, 978,
&end
#
# 50 LEU QD- 61 ILE QD1 4.50 (# 3238:25 Preassigned 2.31, 4.62 A)
&rst
ixpk= 3238, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 804, 805, 806, 808, 809, 810,
igr2= 976, 977, 978,
&end
#
# 0 AMB 25-3:3239 61 ILE QD1 2.80 (# 3239:25 Single Ambig)
&rst
ixpk= 3239, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 895, 896, 897, 899, 900, 901,1070,1071,1072,1074,
1075,1076,1070,1071,1072,1074,1075,1076,
igr2= 976, 977, 978,
&end
#
# 61 ILE HG1+ 61 ILE QD1 3.50 (# 3240:25 Preassigned 2.31, 2.62 A)
&rst
ixpk= 3240, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 973, 974,
igr2= 976, 977, 978,
&end
#
# 61 ILE HB 61 ILE QD1 3.50 (# 3241:25 Preassigned 2.24, 2.96 A)
&rst
ixpk= 3241, nxpk= 25, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 976, 977, 978,
&end
#
# 1 MET QE 61 ILE QD1 5.50 (# 3242:25 Preassigned 5.74, 6.93 A)
&rst
ixpk= 3242, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 15, 16, 17,
igr2= 976, 977, 978,
&end
#
# 0 AMB 25-3:3243 61 ILE QD1 4.50 (# 3243:25 Single Ambig)
&rst
ixpk= 3243, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1068, 893, 42,
igr2= 976, 977, 978,
&end
#
# 56 LEU HB+ 61 ILE QD1 4.50 (# 3244:25 Preassigned 3.08, 4.48 A)
&rst
ixpk= 3244, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 890, 891,
igr2= 976, 977, 978,
&end
#
# 58 ASP HB- 61 ILE QD1 5.50 (# 3245:25 Preassigned 5.72, 7.13 A)
&rst
ixpk= 3245, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 920, 921,
igr2= 976, 977, 978,
&end
#
# 59 TYR HB+ 61 ILE QD1 3.50 (# 3246:25 Preassigned 1.97, 3.19 A)
&rst
ixpk= 3246, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 932, 933,
igr2= 976, 977, 978,
&end
#
# 45 PHE HB- 61 ILE QD1 4.50 (# 3247:25 Preassigned 3.33, 4.86 A)
&rst
ixpk= 3247, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 723, 724,
igr2= 976, 977, 978,
&end
#
# 45 PHE HB+ 61 ILE QD1 4.50 (# 3248:25 Preassigned 3.33, 4.86 A)
&rst
ixpk= 3248, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 723, 724,
igr2= 976, 977, 978,
&end
#
# 61 ILE HA 61 ILE QD1 4.50 (# 3249:25 Preassigned 4.47, 4.65 A)
&rst
ixpk= 3249, nxpk= 25, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 976, 977, 978,
&end
#
# 59 TYR HB- 61 ILE QD1 4.50 (# 3250:25 Preassigned 1.97, 3.19 A)
&rst
ixpk= 3250, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 932, 933,
igr2= 976, 977, 978,
&end
#
# 65 SER HB- 61 ILE QD1 5.50 (# 3251:25 Unique 3.97, 5.17 A)
&rst
ixpk= 3251, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1040,1041,
igr2= 976, 977, 978,
&end
#
# 65 SER HB+ 61 ILE QD1 5.50 (# 3252:25 Preassigned 3.97, 5.17 A)
&rst
ixpk= 3252, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1040,1041,
igr2= 976, 977, 978,
&end
#
# 56 LEU HA 61 ILE QD1 3.50 (# 3253:25 Preassigned 1.92, 2.80 A)
&rst
ixpk= 3253, nxpk= 25, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 976, 977, 978,
&end
#
# 57 SER HA 61 ILE QD1 5.50 (# 3254:25 Preassigned 4.95, 6.00 A)
&rst
ixpk= 3254, nxpk= 25, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 976, 977, 978,
&end
#
# 59 TYR HA 61 ILE QD1 5.50 (# 3255:25 Preassigned 4.93, 5.58 A)
&rst
ixpk= 3255, nxpk= 25, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 976, 977, 978,
&end
#
# 0 AMB 25-3:3256 61 ILE QD1 5.50 (# 3256:25 Single Ambig)
&rst
ixpk= 3256, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 721, 874,
igr2= 976, 977, 978,
&end
#
# 0 AMB 25-3:3257 61 ILE QD1 5.50 (# 3257:25 Single Ambig)
&rst
ixpk= 3257, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 938, 943,
igr2= 976, 977, 978,
&end
#
# 0 AMB 25-3:3258 61 ILE QD1 3.50 (# 3258:25 Single Ambig)
&rst
ixpk= 3258, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 963, 735, 727,
igr2= 976, 977, 978,
&end
#
# 45 PHE HZ 61 ILE QD1 4.50 (# 3259:25 Preassigned 5.18, 5.84 A)
&rst
ixpk= 3259, nxpk= 25, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 976, 977, 978,
&end
#
# 62 GLN HN 61 ILE QD1 5.50 (# 3260:25 Preassigned 6.39, 6.67 A)
&rst
ixpk= 3260, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 976, 977, 978,
&end
#
# 0 AMB 25-3:3261 61 ILE QD1 4.50 (# 3261:25 Single Ambig)
&rst
ixpk= 3261, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 886, 949,
igr2= 976, 977, 978,
&end
#
# 57 SER HN 61 ILE QD1 5.50 (# 3262:25 Preassigned 4.80, 5.86 A)
&rst
ixpk= 3262, nxpk= 25, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 976, 977, 978,
&end
#
# 45 PHE HN 61 ILE QD1 5.50 (# 3263:25 Unique 6.33, 7.44 A)
&rst
ixpk= 3263, nxpk= 25, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 976, 977, 978,
&end
#
# 0 AMB 25-3:3264 62 GLN HA 5.50 (# 3264:25 Single Ambig)
&rst
ixpk= 3264, nxpk= 25, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 994, 995, 963,
&end
#
# 57 SER HA 62 GLN HA 5.50 (# 3265:25 Unique 4.37, 4.47 A)
&rst
ixpk= 3265, nxpk= 25, iat= 907, 984, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:3266 62 GLN HA 4.50 (# 3266:25 Single Ambig)
&rst
ixpk= 3266, nxpk= 25, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1001,1040,1041,
&end
#
# 61 ILE HA 62 GLN HA 5.50 (# 3267:25 Preassigned 4.40, 4.41 A)
&rst
ixpk= 3267, nxpk= 25, iat= 965, 984, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 PRO HG- 62 GLN HA 4.50 (# 3268:25 Preassigned 4.07, 4.86 A)
&rst
ixpk= 3268, nxpk= 25, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 307, 308,
&end
#
# 0 AMB 25-3:3269 62 GLN HA 4.50 (# 3269:25 Single Ambig)
&rst
ixpk= 3269, nxpk= 25, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1006,1007,1006,1007,
&end
#
# 3 ILE QG2 62 GLN HA 5.50 (# 3270:25 Preassigned 6.25, 6.50 A)
&rst
ixpk= 3270, nxpk= 25, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 44, 45, 46,
&end
#
# 61 ILE QG2 62 GLN HA 4.50 (# 3271:25 Preassigned 4.00, 4.84 A)
&rst
ixpk= 3271, nxpk= 25, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 969, 970, 971,
&end
#
# 61 ILE QG2 0 AMB 25-1:3272 5.50 (# 3272:25 Single Ambig)
&rst
ixpk= 3272, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 969, 970, 971,
igr2= 986, 987, 986, 987,
&end
#
# 63 LYS HN 62 GLN HG+ 4.50 (# 3273:25 Preassigned 4.77, 5.31 A)
&rst
ixpk= 3273, nxpk= 25, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 989, 990,
&end
#
# 62 GLN HN 62 GLN HG+ 4.50 (# 3274:25 Unique 2.36, 3.24 A)
&rst
ixpk= 3274, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 989, 990,
&end
#
# 0 AMB 25-3:3275 0 AMB 25-1:3275 7.00 (# 3275:25 Double Ambig)
&rst
ixpk= 3275, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 731, 733,
igr2= 989, 990, 989, 990,
&end
#
# 62 GLN HE2+ 62 GLN HG+ 4.50 (# 3276:25 Preassigned 2.12, 3.30 A)
&rst
ixpk= 3276, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 994, 995,
igr2= 989, 990,
&end
#
# 62 GLN HE2- 62 GLN HG+ 5.50 (# 3277:25 Unique 2.12, 3.30 A)
&rst
ixpk= 3277, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 994, 995,
igr2= 989, 990,
&end
#
# 0 AMB 25-3:3278 0 AMB 25-1:3278 5.50 (# 3278:25 Double Ambig)
&rst
ixpk= 3278, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 965, 953, 954,
igr2= 989, 990, 989, 990,
&end
#
# 0 AMB 25-3:3279 0 AMB 25-1:3279 5.50 (# 3279:25 Double Ambig)
&rst
ixpk= 3279, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1006,1007,1006,1007,
igr2= 989, 990, 989, 990,
&end
#
# 61 ILE HB 62 GLN HG+ 5.50 (# 3280:25 Preassigned 5.03, 6.01 A)
&rst
ixpk= 3280, nxpk= 25, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 989, 990,
&end
#
# 61 ILE QG2 62 GLN HG+ 5.50 (# 3281:25 Preassigned 5.14, 6.70 A)
&rst
ixpk= 3281, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 969, 970, 971,
igr2= 989, 990,
&end
#
# 30 ILE QG2 34 GLU HB+ 3.50 (# 3282:25 Unique 2.38, 3.91 A)
&rst
ixpk= 3282, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 478, 479, 480,
igr2= 546, 547,
&end
#
# 36 ILE QD1 34 GLU HB+ 3.50 (# 3283:25 Preassigned 2.80, 4.18 A)
&rst
ixpk= 3283, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 577, 578, 579,
igr2= 546, 547,
&end
#
# 0 AMB 25-3:3284 0 AMB 25-1:3284 4.50 (# 3284:25 Double Ambig)
&rst
ixpk= 3284, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 574, 575, 568,
igr2= 546, 547, 546, 547,
&end
#
# 60 ASN HB- 62 GLN HG- 5.50 (# 3285:25 Preassigned 4.55, 6.08 A)
&rst
ixpk= 3285, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 953, 954,
igr2= 989, 990,
&end
#
# 0 AMB 25-3:3286 62 GLN HG- 4.50 (# 3286:25 Single Ambig)
&rst
ixpk= 3286, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 965, 953, 954,
igr2= 989, 990,
&end
#
# 62 GLN HA 62 GLN HG- 4.50 (# 3287:25 Preassigned 2.62, 3.21 A)
&rst
ixpk= 3287, nxpk= 25, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 989, 990,
&end
#
# 34 GLU HA 34 GLU HB+ 4.50 (# 3288:25 Preassigned 2.48, 2.76 A)
&rst
ixpk= 3288, nxpk= 25, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 546, 547,
&end
#
# 62 GLN HE2+ 62 GLN HG- 4.50 (# 3289:25 Preassigned 2.12, 3.30 A)
&rst
ixpk= 3289, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 994, 995,
igr2= 989, 990,
&end
#
# 34 GLU HN 34 GLU HB+ 4.50 (# 3290:25 Preassigned 2.56, 3.17 A)
&rst
ixpk= 3290, nxpk= 25, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 546, 547,
&end
#
# 64 GLU HN 63 LYS HA 3.50 (# 3291:25 Preassigned 2.31, 2.34 A)
&rst
ixpk= 3291, nxpk= 25, iat=1021,1001, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 GLN HN 63 LYS HA 5.50 (# 3292:25 Preassigned 3.28, 3.33 A)
&rst
ixpk= 3292, nxpk= 25, iat= 21,1001, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 SER HN 63 LYS HA 4.50 (# 3293:25 Preassigned 3.81, 3.93 A)
&rst
ixpk= 3293, nxpk= 25, iat=1036,1001, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PHE HE1 63 LYS HA 7.00 (# 3294:25 Preassigned 7.38, 7.41 A)
&rst
ixpk= 3294, nxpk= 25, iat= 67,1001, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 2 GLN HA 63 LYS HA 7.00 (# 3295:25 Preassigned 5.09, 5.16 A)
&rst
ixpk= 3295, nxpk= 25, iat= 23,1001, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 62 GLN HA 63 LYS HA 4.50 (# 3296:25 Preassigned 4.46, 4.47 A)
&rst
ixpk= 3296, nxpk= 25, iat= 984,1001, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ILE HA 63 LYS HA 4.50 (# 3297:25 Preassigned 4.66, 4.71 A)
&rst
ixpk= 3297, nxpk= 25, iat= 40,1001, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 SER HB- 63 LYS HA 5.50 (# 3298:25 Preassigned 4.26, 5.20 A)
&rst
ixpk= 3298, nxpk= 25, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1040,1041,
&end
#
# 0 AMB 25-3:3299 63 LYS HA 5.50 (# 3299:25 Single Ambig)
&rst
ixpk= 3299, nxpk= 25, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1012,1013,1012,1013,
&end
#
# 1 MET HG+ 63 LYS HA 4.50 (# 3300:25 Preassigned 1.96, 2.93 A)
&rst
ixpk= 3300, nxpk= 25, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 11, 12,
&end
#
# 64 GLU HB- 63 LYS HA 5.50 (# 3301:25 Preassigned 4.88, 5.42 A)
&rst
ixpk= 3301, nxpk= 25, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1025,1026,
&end
#
# 0 AMB 25-3:3302 63 LYS HA 7.00 (# 3302:25 Single Ambig)
&rst
ixpk= 3302, nxpk= 25, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1028,1029,1028,1029, 28, 29,
&end
#
# 63 LYS HD+ 63 LYS HA 4.50 (# 3303:25 Unique 4.27, 4.58 A)
&rst
ixpk= 3303, nxpk= 25, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1009,1010,
&end
#
# 1 MET QE 63 LYS HA 4.50 (# 3304:25 Unique 2.15, 3.32 A)
&rst
ixpk= 3304, nxpk= 25, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 15, 16, 17,
&end
#
# 3 ILE HG1+ 63 LYS HA 5.50 (# 3305:25 Preassigned 5.26, 5.89 A)
&rst
ixpk= 3305, nxpk= 25, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 48, 49,
&end
#
# 3 ILE HG1- 63 LYS HA 5.50 (# 3306:25 Preassigned 5.26, 5.89 A)
&rst
ixpk= 3306, nxpk= 25, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 48, 49,
&end
#
# 61 ILE QG2 63 LYS HA 5.50 (# 3307:25 Unique 4.35, 5.05 A)
&rst
ixpk= 3307, nxpk= 25, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 969, 970, 971,
&end
#
# 0 AMB 25-3:3308 0 AMB 25-1:3308 5.50 (# 3308:25 Double Ambig)
&rst
ixpk= 3308, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 11, 12,1025,1026,
igr2=1003,1004,1003,1004,
&end
#
# 0 AMB 25-3:3309 0 AMB 25-1:3309 4.50 (# 3309:25 Double Ambig)
&rst
ixpk= 3309, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1012,1013,1012,1013,
igr2=1003,1004,1003,1004,
&end
#
# 1 MET HA 63 LYS HB+ 5.50 (# 3310:25 Preassigned 3.83, 4.71 A)
&rst
ixpk= 3310, nxpk= 25, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1003,1004,
&end
#
# 0 AMB 25-3:3311 0 AMB 25-1:3311 3.50 (# 3311:25 Double Ambig)
&rst
ixpk= 3311, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 816, 984,
igr2= 818, 819, 986, 987, 986, 987,
&end
#
# 2 GLN HN 63 LYS HB+ 5.50 (# 3312:25 Preassigned 3.24, 4.10 A)
&rst
ixpk= 3312, nxpk= 25, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1003,1004,
&end
#
# 64 GLU HN 63 LYS HB+ 4.50 (# 3313:25 Preassigned 2.65, 3.08 A)
&rst
ixpk= 3313, nxpk= 25, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1003,1004,
&end
#
# 0 AMB 25-3:3314 0 AMB 25-1:3314 4.50 (# 3314:25 Double Ambig)
&rst
ixpk= 3314, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 598, 599, 598, 599,
igr2= 604, 605, 604, 605,
&end
#
# 63 LYS HN 0 AMB 25-1:3315 3.50 (# 3315:25 Single Ambig)
&rst
ixpk= 3315, nxpk= 25, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1006,1007,1006,1007,
&end
#
# 65 SER HN 0 AMB 25-1:3316 5.50 (# 3316:25 Single Ambig)
&rst
ixpk= 3316, nxpk= 25, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1006,1007,1006,1007,
&end
#
# 62 GLN HA 0 AMB 25-1:3317 4.50 (# 3317:25 Single Ambig)
&rst
ixpk= 3317, nxpk= 25, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1006,1007,1006,1007,
&end
#
# 0 AMB 25-3:3318 0 AMB 25-1:3318 5.50 (# 3318:25 Double Ambig)
&rst
ixpk= 3318, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 6, 40,
igr2=1006,1007,1006,1007,1006,1007,
&end
#
# 63 LYS HA 0 AMB 25-1:3319 4.50 (# 3319:25 Single Ambig)
&rst
ixpk= 3319, nxpk= 25, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1006,1007,1006,1007,
&end
#
# 0 AMB 25-3:3320 0 AMB 25-1:3320 5.50 (# 3320:25 Double Ambig)
&rst
ixpk= 3320, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67,
igr1=1023, 751, 752, 751, 752,
igr2=1006,1007,1006,1007, 763, 764, 763, 764,
&end
#
# 0 AMB 25-3:3321 0 AMB 25-1:3321 3.50 (# 3321:25 Double Ambig)
&rst
ixpk= 3321, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1012,1013,1012,1013,1012,1013,
igr2=1006,1007,1006,1007,1006,1007,
&end
#
# 0 AMB 25-3:3322 0 AMB 25-1:3322 4.50 (# 3322:25 Double Ambig)
&rst
ixpk= 3322, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1025,1026,1025,1026,
igr2=1006,1007,1006,1007,
&end
#
# 64 GLU HB- 0 AMB 25-1:3323 4.50 (# 3323:25 Single Ambig)
&rst
ixpk= 3323, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1025,1026,
igr2=1006,1007,1006,1007,
&end
#
# 0 AMB 25-3:3324 0 AMB 25-1:3324 7.00 (# 3324:25 Double Ambig)
&rst
ixpk= 3324, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1=1028,1029,1028,1029,1028,1029,
igr2=1006,1007,1006,1007,1006,1007,
&end
#
# 0 AMB 25-3:3325 0 AMB 25-1:3325 3.50 (# 3325:25 Double Ambig)
&rst
ixpk= 3325, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1003,1004, 8, 9,
igr2=1006,1007,1006,1007,1006,1007,
&end
#
# 0 AMB 25-3:3326 0 AMB 25-1:3326 2.80 (# 3326:25 Double Ambig)
&rst
ixpk= 3326, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1009,1010,1009,1010,
igr2=1006,1007,1006,1007,
&end
#
# 3 ILE QG2 0 AMB 25-1:3327 5.50 (# 3327:25 Single Ambig)
&rst
ixpk= 3327, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 44, 45, 46,
igr2=1006,1007,1006,1007,
&end
#
# 6 LYS HN 0 AMB 25-1:3328 5.50 (# 3328:25 Single Ambig)
&rst
ixpk= 3328, nxpk= 25, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 106, 107, 106, 107,
&end
#
# 36 ILE QG2 37 PRO HB+ 5.50 (# 3329:25 Preassigned 4.67, 5.82 A)
&rst
ixpk= 3329, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 570, 571, 572,
igr2= 590, 591,
&end
#
# 37 PRO HD- 37 PRO HB+ 4.50 (# 3330:25 Preassigned 2.98, 3.70 A)
&rst
ixpk= 3330, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 584, 585,
igr2= 590, 591,
&end
#
# 0 AMB 25-3:3331 0 AMB 25-1:3331 4.50 (# 3331:25 Double Ambig)
&rst
ixpk= 3331, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 319, 566, 613, 625,
igr2= 310, 311, 590, 591, 590, 591, 590, 591,
&end
#
# 31 GLN HE2- 37 PRO HB+ 5.50 (# 3332:25 Preassigned 2.81, 4.28 A)
&rst
ixpk= 3332, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 503, 504,
igr2= 590, 591,
&end
#
# 31 GLN HE2+ 37 PRO HB+ 5.50 (# 3333:25 Preassigned 2.81, 4.28 A)
&rst
ixpk= 3333, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 503, 504,
igr2= 590, 591,
&end
#
# 40 GLN HN 37 PRO HB+ 4.50 (# 3334:25 Preassigned 3.10, 3.95 A)
&rst
ixpk= 3334, nxpk= 25, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 590, 591,
&end
#
# 21 ASP HN 19 PRO HB+ 7.00 (# 3335:25 Preassigned 5.17, 5.43 A)
&rst
ixpk= 3335, nxpk= 25, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 310, 311,
&end
#
# 39 ASP HN 37 PRO HB+ 4.50 (# 3336:25 Preassigned 2.68, 3.49 A)
&rst
ixpk= 3336, nxpk= 25, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 590, 591,
&end
#
# 0 AMB 25-3:3337 0 AMB 25-1:3337 4.50 (# 3337:25 Double Ambig)
&rst
ixpk= 3337, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 814, 999,
igr2= 818, 819, 986, 987, 986, 987,
&end
#
# 0 AMB 25-3:3338 0 AMB 25-1:3338 4.50 (# 3338:25 Double Ambig)
&rst
ixpk= 3338, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 611,1151,
igr2= 590, 591, 661, 662,
&end
#
# 40 GLN HN 37 PRO HB- 4.50 (# 3339:25 Preassigned 3.10, 3.95 A)
&rst
ixpk= 3339, nxpk= 25, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 590, 591,
&end
#
# 31 GLN HE2+ 37 PRO HB- 5.50 (# 3340:25 Unique 2.81, 4.28 A)
&rst
ixpk= 3340, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 503, 504,
igr2= 590, 591,
&end
#
# 31 GLN HE2- 37 PRO HB- 5.50 (# 3341:25 Preassigned 2.81, 4.28 A)
&rst
ixpk= 3341, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 503, 504,
igr2= 590, 591,
&end
#
# 37 PRO HA 37 PRO HB- 3.50 (# 3342:25 Preassigned 2.30, 2.51 A)
&rst
ixpk= 3342, nxpk= 25, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 590, 591,
&end
#
# 0 AMB 25-3:3343 0 AMB 25-1:3343 4.50 (# 3343:25 Double Ambig)
&rst
ixpk= 3343, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 319, 566, 613, 625,
igr2= 310, 311, 590, 591, 661, 662,
&end
#
# 37 PRO HD- 37 PRO HB- 4.50 (# 3344:25 Preassigned 2.98, 3.70 A)
&rst
ixpk= 3344, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 584, 585,
igr2= 590, 591,
&end
#
# 39 ASP HB+ 37 PRO HB- 7.00 (# 3345:25 Preassigned 3.03, 4.90 A)
&rst
ixpk= 3345, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 615, 616,
igr2= 590, 591,
&end
#
# 0 AMB 25-3:3346 0 AMB 25-1:3346 4.50 (# 3346:25 Double Ambig)
&rst
ixpk= 3346, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 584, 585, 907,
igr2= 590, 591, 310, 311,
&end
#
# 62 GLN HA 19 PRO HB- 3.50 (# 3347:25 Preassigned 2.63, 3.33 A)
&rst
ixpk= 3347, nxpk= 25, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 310, 311,
&end
#
# 32 ASP HN 31 GLN HB- 4.50 (# 3348:25 Preassigned 2.78, 3.39 A)
&rst
ixpk= 3348, nxpk= 25, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 495, 496,
&end
#
# 31 GLN HN 31 GLN HB- 4.50 (# 3349:25 Preassigned 2.48, 2.53 A)
&rst
ixpk= 3349, nxpk= 25, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 495, 496,
&end
#
# 0 AMB 25-3:3350 37 PRO HG- 5.50 (# 3350:25 Single Ambig)
&rst
ixpk= 3350, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 623, 635, 636,
igr2= 587, 588,
&end
#
# 0 AMB 25-3:3351 0 AMB 25-1:3351 5.50 (# 3351:25 Double Ambig)
&rst
ixpk= 3351, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 623, 635, 636,
igr2= 587, 588, 587, 588,
&end
#
# 31 GLN HE2+ 37 PRO HG+ 4.50 (# 3352:25 Preassigned 4.96, 6.10 A)
&rst
ixpk= 3352, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 503, 504,
igr2= 587, 588,
&end
#
# 31 GLN HE2+ 37 PRO HG- 4.50 (# 3353:25 Preassigned 4.96, 6.10 A)
&rst
ixpk= 3353, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 503, 504,
igr2= 587, 588,
&end
#
# 40 GLN HE2- 37 PRO HG- 5.50 (# 3354:25 Preassigned 3.90, 6.13 A)
&rst
ixpk= 3354, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 635, 636,
igr2= 587, 588,
&end
#
# 40 GLN HE2- 37 PRO HG+ 5.50 (# 3355:25 Preassigned 3.90, 6.13 A)
&rst
ixpk= 3355, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 635, 636,
igr2= 587, 588,
&end
#
# 18 GLU HA 19 PRO HG+ 4.50 (# 3356:25 Preassigned 4.40, 4.44 A)
&rst
ixpk= 3356, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 307, 308,
&end
#
# 37 PRO HA 37 PRO HG- 4.50 (# 3357:25 Preassigned 3.85, 3.94 A)
&rst
ixpk= 3357, nxpk= 25, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 587, 588,
&end
#
# 37 PRO HA 37 PRO HG+ 4.50 (# 3358:25 Preassigned 3.85, 3.94 A)
&rst
ixpk= 3358, nxpk= 25, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 587, 588,
&end
#
# 0 AMB 25-3:3359 0 AMB 25-1:3359 4.50 (# 3359:25 Double Ambig)
&rst
ixpk= 3359, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 566, 319, 625,
igr2= 587, 588, 307, 308,
&end
#
# 36 ILE HA 37 PRO HG+ 4.50 (# 3360:25 Preassigned 4.25, 4.29 A)
&rst
ixpk= 3360, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 587, 588,
&end
#
# 37 PRO HD+ 37 PRO HG- 3.50 (# 3361:25 Preassigned 2.30, 2.58 A)
&rst
ixpk= 3361, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 584, 585,
igr2= 587, 588,
&end
#
# 37 PRO HD+ 37 PRO HG+ 3.50 (# 3362:25 Preassigned 2.30, 2.58 A)
&rst
ixpk= 3362, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 584, 585,
igr2= 587, 588,
&end
#
# 37 PRO HD- 37 PRO HG- 3.50 (# 3363:25 Preassigned 2.30, 2.58 A)
&rst
ixpk= 3363, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 584, 585,
igr2= 587, 588,
&end
#
# 37 PRO HD- 37 PRO HG+ 3.50 (# 3364:25 Preassigned 2.30, 2.58 A)
&rst
ixpk= 3364, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 584, 585,
igr2= 587, 588,
&end
#
# 0 AMB 25-3:3365 0 AMB 25-1:3365 3.50 (# 3365:25 Double Ambig)
&rst
ixpk= 3365, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 590, 591, 630, 631,
igr2= 587, 588, 587, 588,
&end
#
# 36 ILE QG2 37 PRO HG- 5.50 (# 3366:25 Preassigned 3.25, 4.64 A)
&rst
ixpk= 3366, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 570, 571, 572,
igr2= 587, 588,
&end
#
# 0 AMB 25-3:3367 0 AMB 25-1:3367 4.50 (# 3367:25 Double Ambig)
&rst
ixpk= 3367, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 598, 599, 598, 599,
igr2= 587, 588, 587, 588,
&end
#
# 44 ILE HN 68 HIS HB- 5.50 (# 3368:25 Preassigned 3.11, 3.39 A)
&rst
ixpk= 3368, nxpk= 25, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1084,1085,
&end
#
# 44 ILE HN 68 HIS HB+ 5.50 (# 3369:25 Preassigned 3.11, 3.39 A)
&rst
ixpk= 3369, nxpk= 25, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1084,1085,
&end
#
# 68 HIS HN 68 HIS HB+ 4.50 (# 3370:25 Preassigned 2.41, 2.93 A)
&rst
ixpk= 3370, nxpk= 25, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1084,1085,
&end
#
# 68 HIS HN 68 HIS HB- 4.50 (# 3371:25 Preassigned 2.41, 2.93 A)
&rst
ixpk= 3371, nxpk= 25, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1084,1085,
&end
#
# 69 LEU HN 68 HIS HB- 4.50 (# 3372:25 Preassigned 3.46, 4.03 A)
&rst
ixpk= 3372, nxpk= 25, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1084,1085,
&end
#
# 69 LEU HN 68 HIS HB+ 4.50 (# 3373:25 Preassigned 3.46, 4.03 A)
&rst
ixpk= 3373, nxpk= 25, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1084,1085,
&end
#
# 68 HIS HD2 68 HIS HB- 7.00 (# 3374:25 Preassigned 2.69, 3.23 A)
&rst
ixpk= 3374, nxpk= 25, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1084,1085,
&end
#
# 68 HIS HD2 68 HIS HB+ 7.00 (# 3375:25 Preassigned 2.69, 3.23 A)
&rst
ixpk= 3375, nxpk= 25, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1084,1085,
&end
#
# 68 HIS HA 68 HIS HB- 4.50 (# 3376:25 Preassigned 2.74, 2.85 A)
&rst
ixpk= 3376, nxpk= 25, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1084,1085,
&end
#
# 68 HIS HA 68 HIS HB+ 4.50 (# 3377:25 Preassigned 2.74, 2.85 A)
&rst
ixpk= 3377, nxpk= 25, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1084,1085,
&end
#
# 67 LEU HA 68 HIS HB+ 5.50 (# 3378:25 Preassigned 4.01, 4.77 A)
&rst
ixpk= 3378, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1084,1085,
&end
#
# 67 LEU HA 68 HIS HB- 5.50 (# 3379:25 Preassigned 4.01, 4.77 A)
&rst
ixpk= 3379, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1084,1085,
&end
#
# 44 ILE HB 68 HIS HB+ 4.50 (# 3380:25 Preassigned 1.85, 2.28 A)
&rst
ixpk= 3380, nxpk= 25, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1084,1085,
&end
#
# 44 ILE HB 68 HIS HB- 4.50 (# 3381:25 Preassigned 1.85, 2.28 A)
&rst
ixpk= 3381, nxpk= 25, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1084,1085,
&end
#
# 0 AMB 25-3:3382 68 HIS HB- 5.50 (# 3382:25 Single Ambig)
&rst
ixpk= 3382, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 710, 711, 97, 98,
igr2=1084,1085,
&end
#
# 0 AMB 25-3:3383 0 AMB 25-1:3383 5.50 (# 3383:25 Double Ambig)
&rst
ixpk= 3383, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 710, 711, 97, 98,
igr2=1084,1085,1084,1085,
&end
#
# 0 AMB 25-3:3384 68 HIS HB- 4.50 (# 3384:25 Single Ambig)
&rst
ixpk= 3384, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1122,1123,1124,1126,1127,1128, 710, 711,
igr2=1084,1085,
&end
#
# 0 AMB 25-3:3385 0 AMB 25-1:3385 4.50 (# 3385:25 Double Ambig)
&rst
ixpk= 3385, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=1122,1123,1124,1126,1127,1128, 710, 711,
igr2=1084,1085,1084,1085,
&end
#
# 70 VAL QG+ 68 HIS HB+ 4.50 (# 3386:25 Preassigned 3.03, 5.78 A)
&rst
ixpk= 3386, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1122,1123,1124,1126,1127,1128,
igr2=1084,1085,
&end
#
# 70 VAL QG+ 68 HIS HB- 4.50 (# 3387:25 Preassigned 3.03, 5.78 A)
&rst
ixpk= 3387, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1122,1123,1124,1126,1127,1128,
igr2=1084,1085,
&end
#
# 44 ILE QG2 68 HIS HB- 4.50 (# 3388:25 Unique 1.98, 3.55 A)
&rst
ixpk= 3388, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 706, 707, 708,
igr2=1084,1085,
&end
#
# 44 ILE QG2 68 HIS HB+ 4.50 (# 3389:25 Unique 1.98, 3.55 A)
&rst
ixpk= 3389, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 706, 707, 708,
igr2=1084,1085,
&end
#
# 0 AMB 25-3:3390 68 HIS HA 3.50 (# 3390:25 Single Ambig)
&rst
ixpk= 3390, nxpk= 25, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87,
88, 89, 706, 707, 708,
&end
#
# 0 AMB 25-3:3391 68 HIS HA 5.50 (# 3391:25 Single Ambig)
&rst
ixpk= 3391, nxpk= 25, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1122,1123,1124,1126,1127,1128,1106,1107,1108,1110,
1111,1112, 690, 691, 692, 694, 695, 696, 690, 691,
692, 694, 695, 696,
&end
#
# 66 THR QG2 68 HIS HA 4.50 (# 3392:25 Preassigned 4.91, 5.75 A)
&rst
ixpk= 3392, nxpk= 25, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1053,1054,1055,
&end
#
# 8 LEU QD+ 68 HIS HA 5.50 (# 3393:25 Unique 4.14, 6.96 A)
&rst
ixpk= 3393, nxpk= 25, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 138, 139, 140, 142, 143, 144,
&end
#
# 69 LEU HB+ 68 HIS HA 4.50 (# 3394:25 Preassigned 4.31, 4.56 A)
&rst
ixpk= 3394, nxpk= 25, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1101,1102,
&end
#
# 6 LYS HB+ 68 HIS HA 4.50 (# 3395:25 Preassigned 3.18, 3.98 A)
&rst
ixpk= 3395, nxpk= 25, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 97, 98,
&end
#
# 0 AMB 25-3:3396 68 HIS HA 3.50 (# 3396:25 Single Ambig)
&rst
ixpk= 3396, nxpk= 25, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1065,1066,1101,1102, 103, 104, 103, 104,
&end
#
# 0 AMB 25-3:3397 68 HIS HA 4.50 (# 3397:25 Single Ambig)
&rst
ixpk= 3397, nxpk= 25, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 704,1068,
&end
#
# 68 HIS HB- 68 HIS HA 3.50 (# 3398:25 Preassigned 2.74, 2.85 A)
&rst
ixpk= 3398, nxpk= 25, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1084,1085,
&end
#
# 68 HIS HB+ 68 HIS HA 3.50 (# 3399:25 Preassigned 2.74, 2.85 A)
&rst
ixpk= 3399, nxpk= 25, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1084,1085,
&end
#
# 5 VAL HA 68 HIS HA 4.50 (# 3400:25 Preassigned 4.01, 4.17 A)
&rst
ixpk= 3400, nxpk= 25, iat= 79,1082, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 HIS HD2 68 HIS HA 7.00 (# 3401:25 Preassigned 3.12, 3.96 A)
&rst
ixpk= 3401, nxpk= 25, iat=1093,1082, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 69 LEU HN 68 HIS HA 3.50 (# 3402:25 Preassigned 2.14, 2.15 A)
&rst
ixpk= 3402, nxpk= 25, iat=1097,1082, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 LYS HN 68 HIS HA 3.50 (# 3403:25 Preassigned 3.17, 3.35 A)
&rst
ixpk= 3403, nxpk= 25, iat= 93,1082, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:3404 68 HIS HA 5.50 (# 3404:25 Single Ambig)
&rst
ixpk= 3404, nxpk= 25, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1061, 77,
&end
#
# 36 ILE HN 36 ILE HG1+ 4.50 (# 3405:25 Preassigned 2.49, 3.17 A)
&rst
ixpk= 3405, nxpk= 25, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 574, 575,
&end
#
# 36 ILE HN 36 ILE HG1- 3.50 (# 3406:25 Preassigned 2.49, 3.17 A)
&rst
ixpk= 3406, nxpk= 25, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 574, 575,
&end
#
# 35 GLY HN 36 ILE HG1- 5.50 (# 3407:25 Unique 4.11, 4.93 A)
&rst
ixpk= 3407, nxpk= 25, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 574, 575,
&end
#
# 50 LEU HN 43 LEU HG 5.50 (# 3408:25 Preassigned 5.50, 5.64 A)
&rst
ixpk= 3408, nxpk= 25, iat= 795, 688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 GLU HA 36 ILE HG1- 5.50 (# 3409:25 Preassigned 4.80, 5.73 A)
&rst
ixpk= 3409, nxpk= 25, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 574, 575,
&end
#
# 36 ILE HA 36 ILE HG1- 4.50 (# 3410:25 Preassigned 2.60, 2.81 A)
&rst
ixpk= 3410, nxpk= 25, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 574, 575,
&end
#
# 0 AMB 25-3:3411 0 AMB 25-1:3411 5.50 (# 3411:25 Double Ambig)
&rst
ixpk= 3411, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 584, 585, 40,
igr2= 574, 575, 245,
&end
#
# 37 PRO HD+ 36 ILE HG1+ 5.50 (# 3412:25 Preassigned 3.71, 4.58 A)
&rst
ixpk= 3412, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 584, 585,
igr2= 574, 575,
&end
#
# 35 GLY HA+ 36 ILE HG1+ 7.00 (# 3413:25 Preassigned 3.95, 4.93 A)
&rst
ixpk= 3413, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 559, 560,
igr2= 574, 575,
&end
#
# 31 GLN HA 36 ILE HG1- 5.50 (# 3414:25 Preassigned 4.42, 5.05 A)
&rst
ixpk= 3414, nxpk= 25, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 574, 575,
&end
#
# 0 AMB 25-3:3415 0 AMB 25-1:3415 5.50 (# 3415:25 Double Ambig)
&rst
ixpk= 3415, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 584, 585, 474,
igr2= 574, 575, 215, 216,
&end
#
# 37 PRO HD- 36 ILE HG1- 5.50 (# 3416:25 Unique 3.71, 4.58 A)
&rst
ixpk= 3416, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 584, 585,
igr2= 574, 575,
&end
#
# 34 GLU HB+ 36 ILE HG1- 4.50 (# 3417:25 Preassigned 2.93, 4.07 A)
&rst
ixpk= 3417, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 546, 547,
igr2= 574, 575,
&end
#
# 36 ILE QG2 36 ILE HG1- 3.50 (# 3418:25 Preassigned 2.28, 3.46 A)
&rst
ixpk= 3418, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 570, 571, 572,
igr2= 574, 575,
&end
#
# 0 AMB 25-3:3419 0 AMB 25-1:3419 3.50 (# 3419:25 Double Ambig)
&rst
ixpk= 3419, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 247, 248, 249, 251, 252, 253, 577, 578, 579,
igr2= 245, 574, 575,
&end
#
# 0 AMB 25-3:3420 0 AMB 25-1:3420 5.50 (# 3420:25 Double Ambig)
&rst
ixpk= 3420, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 549, 550, 587, 588, 264, 265,
igr2= 574, 575, 245,
&end
#
# 25 ASN HN 0 AMB 25-1:3421 4.50 (# 3421:25 Single Ambig)
&rst
ixpk= 3421, nxpk= 25, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 380, 381, 380, 381,
&end
#
# 24 GLU HA 0 AMB 25-1:3422 4.50 (# 3422:25 Single Ambig)
&rst
ixpk= 3422, nxpk= 25, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 380, 381, 380, 381,
&end
#
# 29 LYS HE+ 17 VAL HB 5.50 (# 3423:25 Preassigned 5.02, 5.71 A)
&rst
ixpk= 3423, nxpk= 25, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 463, 464,
&end
#
# 21 ASP HB- 17 VAL HB 5.50 (# 3424:25 Unique 3.31, 3.75 A)
&rst
ixpk= 3424, nxpk= 25, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 332, 333,
&end
#
# 26 VAL QG+ 17 VAL HB 4.50 (# 3425:25 Preassigned 3.75, 5.42 A)
&rst
ixpk= 3425, nxpk= 25, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 408, 409, 410, 412, 413, 414,
&end
#
# 3 ILE QD1 17 VAL HB 4.50 (# 3426:25 Preassigned 4.44, 5.19 A)
&rst
ixpk= 3426, nxpk= 25, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 51, 52, 53,
&end
#
# 0 AMB 25-3:3427 0 AMB 25-1:3427 5.50 (# 3427:25 Double Ambig)
&rst
ixpk= 3427, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 402, 829,
igr2= 377, 378, 377, 378, 377, 378,
&end
#
# 52 ASP HB- 0 AMB 25-1:3428 5.50 (# 3428:25 Single Ambig)
&rst
ixpk= 3428, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 833, 834,
igr2= 377, 378, 377, 378,
&end
#
# 0 AMB 25-3:3429 0 AMB 25-1:3429 3.50 (# 3429:25 Double Ambig)
&rst
ixpk= 3429, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 380, 381, 380, 381, 380, 381,
igr2= 377, 378, 377, 378, 377, 378,
&end
#
# 23 ILE QG2 24 GLU HA 4.50 (# 3430:25 Preassigned 3.81, 4.81 A)
&rst
ixpk= 3430, nxpk= 25, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 360, 361, 362,
&end
#
# 0 AMB 25-3:3431 24 GLU HA 4.50 (# 3431:25 Single Ambig)
&rst
ixpk= 3431, nxpk= 25, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 425, 426, 422, 423,
&end
#
# 27 LYS HD- 24 GLU HA 3.50 (# 3432:25 Preassigned 3.35, 4.29 A)
&rst
ixpk= 3432, nxpk= 25, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 428, 429,
&end
#
# 52 ASP HB+ 24 GLU HA 4.50 (# 3433:25 Unique 1.87, 2.65 A)
&rst
ixpk= 3433, nxpk= 25, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 833, 834,
&end
#
# 0 AMB 25-3:3434 24 GLU HA 7.00 (# 3434:25 Single Ambig)
&rst
ixpk= 3434, nxpk= 25, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 607, 442,
&end
#
# 52 ASP HA 24 GLU HA 5.50 (# 3435:25 Preassigned 2.86, 2.93 A)
&rst
ixpk= 3435, nxpk= 25, iat= 831, 375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 25-3:3436 24 GLU HA 5.50 (# 3436:25 Single Ambig)
&rst
ixpk= 3436, nxpk= 25, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 390, 420,
&end
#
# 22 THR HB 24 GLU HA 7.00 (# 3437:25 Preassigned 4.96, 4.99 A)
&rst
ixpk= 3437, nxpk= 25, iat= 344, 375, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 25-3:3438 24 GLU HA 4.50 (# 3438:25 Single Ambig)
&rst
ixpk= 3438, nxpk= 25, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 388, 440,
&end
#
# 26 VAL HN 24 GLU HA 5.50 (# 3439:25 Preassigned 4.46, 4.48 A)
&rst
ixpk= 3439, nxpk= 25, iat= 402, 375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 LYS HN 24 GLU HA 4.50 (# 3440:25 Preassigned 3.66, 3.70 A)
&rst
ixpk= 3440, nxpk= 25, iat= 418, 375, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 SER HN 18 GLU HG- 5.50 (# 3442:25 Preassigned 2.76, 4.10 A)
&rst
ixpk= 3442, nxpk= 25, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 295, 296,
&end
#
# 21 ASP HN 18 GLU HG- 5.50 (# 3443:25 Preassigned 2.20, 3.97 A)
&rst
ixpk= 3443, nxpk= 25, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 295, 296,
&end
#
# 18 GLU HN 18 GLU HG- 4.50 (# 3444:25 Preassigned 1.89, 2.82 A)
&rst
ixpk= 3444, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 295, 296,
&end
#
# 18 GLU HA 18 GLU HG- 4.50 (# 3445:25 Preassigned 2.47, 3.64 A)
&rst
ixpk= 3445, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 295, 296,
&end
#
# 17 VAL HA 18 GLU HG- 5.50 (# 3446:25 Preassigned 3.33, 4.57 A)
&rst
ixpk= 3446, nxpk= 25, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 295, 296,
&end
#
# 19 PRO HD+ 18 GLU HG- 4.50 (# 3447:25 Preassigned 2.00, 4.97 A)
&rst
ixpk= 3447, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 304, 305,
igr2= 295, 296,
&end
#
# 19 PRO HD- 18 GLU HG- 4.50 (# 3448:25 Unique 2.00, 4.97 A)
&rst
ixpk= 3448, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 304, 305,
igr2= 295, 296,
&end
#
# 0 AMB 25-3:3449 0 AMB 25-1:3449 5.50 (# 3449:25 Double Ambig)
&rst
ixpk= 3449, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 332, 333, 667, 668, 667, 668,
igr2= 295, 296, 785, 786, 785, 786,
&end
#
# 0 AMB 25-3:3450 0 AMB 25-1:3450 5.50 (# 3450:25 Double Ambig)
&rst
ixpk= 3450, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 723, 724, 723, 724,
igr2= 785, 786, 785, 786,
&end
#
# 15 LEU HG 16 GLU HG+ 7.00 (# 3451:25 Preassigned 6.52, 6.57 A)
&rst
ixpk= 3451, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 264, 265,
&end
#
# 1 MET HG+ 18 GLU HG- 5.50 (# 3452:25 Preassigned 4.37, 7.02 A)
&rst
ixpk= 3452, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 11, 12,
igr2= 295, 296,
&end
#
# 29 LYS HE+ 18 GLU HG- 7.00 (# 3453:25 Preassigned 5.88, 7.44 A)
&rst
ixpk= 3453, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 463, 464,
igr2= 295, 296,
&end
#
# 60 ASN HN 57 SER HA 4.50 (# 3454:25 Preassigned 3.47, 3.49 A)
&rst
ixpk= 3454, nxpk= 25, iat= 949, 907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:3455 0 AMB 25-1:3455 5.50 (# 3455:25 Double Ambig)
&rst
ixpk= 3455, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1006,1007,1006,1007,
igr2=1025,1026,1025,1026,
&end
#
# 0 AMB 25-3:3456 64 GLU HB- 5.50 (# 3456:25 Single Ambig)
&rst
ixpk= 3456, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1006,1007,1006,1007,
igr2=1025,1026,
&end
#
# 64 GLU HA 64 GLU HB+ 4.50 (# 3457:25 Preassigned 2.43, 2.74 A)
&rst
ixpk= 3457, nxpk= 25, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1025,1026,
&end
#
# 64 GLU HA 64 GLU HB- 4.50 (# 3458:25 Preassigned 2.43, 2.74 A)
&rst
ixpk= 3458, nxpk= 25, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1025,1026,
&end
#
# 4 PHE HD1 64 GLU HB+ 5.50 (# 3459:25 Preassigned 4.67, 5.36 A)
&rst
ixpk= 3459, nxpk= 25, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1025,1026,
&end
#
# 4 PHE HE1 64 GLU HB+ 4.50 (# 3460:25 Preassigned 2.41, 3.24 A)
&rst
ixpk= 3460, nxpk= 25, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1025,1026,
&end
#
# 4 PHE HE1 64 GLU HB- 4.50 (# 3461:25 Preassigned 2.41, 3.24 A)
&rst
ixpk= 3461, nxpk= 25, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1025,1026,
&end
#
# 64 GLU HN 64 GLU HB+ 5.50 (# 3462:25 Preassigned 3.39, 3.68 A)
&rst
ixpk= 3462, nxpk= 25, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1025,1026,
&end
#
# 64 GLU HN 64 GLU HB- 5.50 (# 3463:25 Preassigned 3.39, 3.68 A)
&rst
ixpk= 3463, nxpk= 25, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1025,1026,
&end
#
# 66 THR HN 65 SER HB+ 4.50 (# 3464:25 Preassigned 2.54, 3.65 A)
&rst
ixpk= 3464, nxpk= 25, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1040,1041,
&end
#
# 66 THR HN 65 SER HB- 4.50 (# 3465:25 Preassigned 2.54, 3.65 A)
&rst
ixpk= 3465, nxpk= 25, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1040,1041,
&end
#
# 65 SER HN 65 SER HB+ 4.50 (# 3466:25 Preassigned 2.32, 2.83 A)
&rst
ixpk= 3466, nxpk= 25, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1040,1041,
&end
#
# 62 GLN HN 65 SER HB+ 4.50 (# 3467:25 Preassigned 4.13, 4.70 A)
&rst
ixpk= 3467, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1040,1041,
&end
#
# 45 PHE HE1 65 SER HB- 4.50 (# 3468:25 Preassigned 3.50, 4.46 A)
&rst
ixpk= 3468, nxpk= 25, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1040,1041,
&end
#
# 62 GLN HN 65 SER HB- 4.50 (# 3469:25 Preassigned 4.13, 4.70 A)
&rst
ixpk= 3469, nxpk= 25, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1040,1041,
&end
#
# 45 PHE HE1 65 SER HB+ 4.50 (# 3470:25 Preassigned 3.50, 4.46 A)
&rst
ixpk= 3470, nxpk= 25, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1040,1041,
&end
#
# 65 SER HG 65 SER HB- 5.50 (# 3471:25 Unique 2.18, 2.61 A)
&rst
ixpk= 3471, nxpk= 25, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1040,1041,
&end
#
# 65 SER HG 65 SER HB+ 5.50 (# 3472:25 Unique 2.18, 2.61 A)
&rst
ixpk= 3472, nxpk= 25, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1040,1041,
&end
#
# 65 SER HA 65 SER HB- 4.50 (# 3473:25 Preassigned 2.76, 2.85 A)
&rst
ixpk= 3473, nxpk= 25, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1040,1041,
&end
#
# 65 SER HA 65 SER HB+ 4.50 (# 3474:25 Preassigned 2.76, 2.85 A)
&rst
ixpk= 3474, nxpk= 25, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1040,1041,
&end
#
# 3 ILE HA 65 SER HB- 7.00 (# 3475:25 Preassigned 3.66, 4.06 A)
&rst
ixpk= 3475, nxpk= 25, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1040,1041,
&end
#
# 0 AMB 25-3:3476 65 SER HB- 5.50 (# 3476:25 Single Ambig)
&rst
ixpk= 3476, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 965,1023,
igr2=1040,1041,
&end
#
# 0 AMB 25-3:3477 0 AMB 25-1:3477 5.50 (# 3477:25 Double Ambig)
&rst
ixpk= 3477, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 965,1023,
igr2=1040,1041,1040,1041,
&end
#
# 3 ILE QG2 65 SER HB+ 4.50 (# 3478:25 Unique 1.96, 2.84 A)
&rst
ixpk= 3478, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 44, 45, 46,
igr2=1040,1041,
&end
#
# 3 ILE QG2 65 SER HB- 4.50 (# 3479:25 Unique 1.96, 2.84 A)
&rst
ixpk= 3479, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 44, 45, 46,
igr2=1040,1041,
&end
#
# 61 ILE QG2 65 SER HB+ 4.50 (# 3480:25 Preassigned 1.94, 2.77 A)
&rst
ixpk= 3480, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 969, 970, 971,
igr2=1040,1041,
&end
#
# 0 AMB 25-3:3481 66 THR HA 4.50 (# 3481:25 Single Ambig)
&rst
ixpk= 3481, nxpk= 25, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 83, 84, 85, 87, 88, 89, 83, 84, 85, 87,
88, 89,1070,1071,1072,1074,1075,1076,
&end
#
# 66 THR QG2 66 THR HA 3.50 (# 3482:25 Preassigned 2.57, 3.13 A)
&rst
ixpk= 3482, nxpk= 25, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1053,1054,1055,
&end
#
# 0 AMB 25-3:3483 66 THR HA 5.50 (# 3483:25 Single Ambig)
&rst
ixpk= 3483, nxpk= 25, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 197, 198, 199, 973, 974,
&end
#
# 0 AMB 25-3:3484 66 THR HA 4.50 (# 3484:25 Single Ambig)
&rst
ixpk= 3484, nxpk= 25, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1065,1066, 97, 98, 103, 104,
&end
#
# 0 AMB 25-3:3485 66 THR HA 4.50 (# 3485:25 Single Ambig)
&rst
ixpk= 3485, nxpk= 25, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1065,1066, 42,
&end
#
# 4 PHE HB+ 66 THR HA 4.50 (# 3486:25 Preassigned 2.05, 3.05 A)
&rst
ixpk= 3486, nxpk= 25, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 61, 62,
&end
#
# 4 PHE HB- 66 THR HA 3.50 (# 3487:25 Preassigned 2.05, 3.05 A)
&rst
ixpk= 3487, nxpk= 25, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 61, 62,
&end
#
# 66 THR HB 66 THR HA 4.50 (# 3488:25 Preassigned 3.02, 3.02 A)
&rst
ixpk= 3488, nxpk= 25, iat=1051,1049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 SER HA 66 THR HA 5.50 (# 3489:25 Preassigned 4.37, 4.40 A)
&rst
ixpk= 3489, nxpk= 25, iat=1038,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 VAL HA 66 THR HA 4.50 (# 3490:25 Preassigned 4.08, 4.16 A)
&rst
ixpk= 3490, nxpk= 25, iat= 79,1049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PHE HA 66 THR HA 4.50 (# 3491:25 Preassigned 4.27, 4.36 A)
&rst
ixpk= 3491, nxpk= 25, iat= 59,1049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PHE HD1 66 THR HA 4.50 (# 3492:25 Preassigned 2.81, 3.04 A)
&rst
ixpk= 3492, nxpk= 25, iat= 65,1049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PHE HN 66 THR HA 3.50 (# 3493:25 Preassigned 2.89, 2.97 A)
&rst
ixpk= 3493, nxpk= 25, iat= 57,1049, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 THR HN 66 THR HA 4.50 (# 3494:25 Preassigned 2.90, 2.92 A)
&rst
ixpk= 3494, nxpk= 25, iat=1047,1049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 LEU HN 66 THR HA 3.50 (# 3495:25 Preassigned 2.15, 2.19 A)
&rst
ixpk= 3495, nxpk= 25, iat=1061,1049, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 ILE HG1- 61 ILE HA 3.50 (# 3496:25 Preassigned 2.60, 2.73 A)
&rst
ixpk= 3496, nxpk= 25, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 973, 974,
&end
#
# 7 THR HA 8 LEU QD+ 5.50 (# 3497:25 Preassigned 4.19, 6.31 A)
&rst
ixpk= 3497, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 8 LEU HN 8 LEU QD+ 4.50 (# 3498:25 Preassigned 2.97, 4.62 A)
&rst
ixpk= 3498, nxpk= 25, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 71 LEU HN 8 LEU QD+ 5.50 (# 3499:25 Preassigned 3.98, 6.37 A)
&rst
ixpk= 3499, nxpk= 25, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 9 THR HN 8 LEU QD+ 5.50 (# 3500:25 Preassigned 4.85, 6.05 A)
&rst
ixpk= 3500, nxpk= 25, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 68 HIS HD2 8 LEU QD+ 4.50 (# 3505:25 Unique 1.88, 4.08 A)
&rst
ixpk= 3505, nxpk= 25, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 8 LEU HA 8 LEU QD+ 3.50 (# 3507:25 Preassigned 1.87, 3.53 A)
&rst
ixpk= 3507, nxpk= 25, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 68 HIS HB+ 8 LEU QD+ 4.50 (# 3510:25 Preassigned 3.20, 6.28 A)
&rst
ixpk= 3510, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1084,1085,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 8 LEU HG 8 LEU QD+ 3.50 (# 3511:25 Preassigned 2.21, 2.63 A)
&rst
ixpk= 3511, nxpk= 25, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 0 AMB 25-3:3512 0 AMB 25-1:3512 3.50 (# 3512:25 Double Ambig)
&rst
ixpk= 3512, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 133, 134, 133, 134,
igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
143, 144,
&end
#
# 44 ILE HB 8 LEU QD+ 4.50 (# 3513:25 Unique 4.71, 6.19 A)
&rst
ixpk= 3513, nxpk= 25, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 70 VAL QG- 8 LEU QD+ 3.50 (# 3515:25 Preassigned 1.90, 5.39 A)
&rst
ixpk= 3515, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1122,1123,1124,1126,1127,1128,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 44 ILE QD1 8 LEU QD+ 3.50 (# 3517:25 Unique 3.47, 5.82 A)
&rst
ixpk= 3517, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 713, 714, 715,
igr2= 138, 139, 140, 142, 143, 144,
&end
#
# 67 LEU HN 67 LEU QD- 3.50 (# 3518:25 Preassigned 3.58, 4.89 A)
&rst
ixpk= 3518, nxpk= 25, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 68 HIS HN 67 LEU QD- 4.50 (# 3519:25 Preassigned 3.36, 4.37 A)
&rst
ixpk= 3519, nxpk= 25, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 0 AMB 25-3:3520 67 LEU QD- 4.50 (# 3520:25 Single Ambig)
&rst
ixpk= 3520, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 795, 57,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 65 SER HN 67 LEU QD- 5.50 (# 3521:25 Preassigned 6.24, 7.83 A)
&rst
ixpk= 3521, nxpk= 25, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 45 PHE HE1 67 LEU QD- 4.50 (# 3522:25 Preassigned 3.27, 5.77 A)
&rst
ixpk= 3522, nxpk= 25, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 45 PHE HD1 67 LEU QD- 4.50 (# 3523:25 Preassigned 1.99, 4.46 A)
&rst
ixpk= 3523, nxpk= 25, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 45 PHE HA 67 LEU QD- 5.50 (# 3524:25 Unique 2.96, 5.36 A)
&rst
ixpk= 3524, nxpk= 25, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 66 THR HA 67 LEU QD- 4.50 (# 3525:25 Preassigned 5.10, 6.65 A)
&rst
ixpk= 3525, nxpk= 25, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 67 LEU HA 67 LEU QD- 4.50 (# 3526:25 Preassigned 1.98, 3.70 A)
&rst
ixpk= 3526, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 5 VAL HA 67 LEU QD- 5.50 (# 3527:25 Preassigned 4.30, 5.48 A)
&rst
ixpk= 3527, nxpk= 25, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 0 AMB 25-3:3528 67 LEU QD- 5.50 (# 3528:25 Single Ambig)
&rst
ixpk= 3528, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 888,1051,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 65 SER HB+ 67 LEU QD- 4.50 (# 3529:25 Preassigned 3.30, 5.85 A)
&rst
ixpk= 3529, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1040,1041,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 65 SER HB- 67 LEU QD- 4.50 (# 3530:25 Preassigned 3.30, 5.85 A)
&rst
ixpk= 3530, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1040,1041,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 67 LEU HG 67 LEU QD- 2.80 (# 3531:25 Preassigned 2.24, 2.63 A)
&rst
ixpk= 3531, nxpk= 25, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 0 AMB 25-3:3532 67 LEU QD- 3.50 (# 3532:25 Single Ambig)
&rst
ixpk= 3532, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1065,1066, 685, 686,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 61 ILE QD1 67 LEU QD- 2.80 (# 3533:25 Unique 2.11, 4.07 A)
&rst
ixpk= 3533, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 976, 977, 978,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 69 LEU QD- 69 LEU HA 3.50 (# 3534:25 Preassigned 2.01, 3.65 A)
&rst
ixpk= 3534, nxpk= 25, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1106,1107,1108,1110,1111,1112,
&end
#
# 0 AMB 25-3:3535 69 LEU HA 2.80 (# 3535:25 Single Ambig)
&rst
ixpk= 3535, nxpk= 25, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1106,1107,1108,1110,1111,1112, 690, 691, 692, 694,
695, 696, 690, 691, 692, 694, 695, 696,
&end
#
# 69 LEU HB+ 69 LEU HA 3.50 (# 3536:25 Preassigned 2.30, 2.66 A)
&rst
ixpk= 3536, nxpk= 25, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1101,1102,
&end
#
# 69 LEU HG 69 LEU HA 4.50 (# 3537:25 Preassigned 3.74, 3.80 A)
&rst
ixpk= 3537, nxpk= 25, iat=1104,1099, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 LEU HB- 69 LEU HA 3.50 (# 3538:25 Preassigned 2.30, 2.66 A)
&rst
ixpk= 3538, nxpk= 25, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1101,1102,
&end
#
# 0 AMB 25-3:3539 69 LEU HA 4.50 (# 3539:25 Single Ambig)
&rst
ixpk= 3539, nxpk= 25, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1120, 81, 661, 662, 133, 134,
&end
#
# 68 HIS HB+ 69 LEU HA 5.50 (# 3540:25 Preassigned 4.56, 5.16 A)
&rst
ixpk= 3540, nxpk= 25, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1084,1085,
&end
#
# 41 GLN HA 69 LEU HA 7.00 (# 3541:25 Preassigned 6.21, 6.30 A)
&rst
ixpk= 3541, nxpk= 25, iat= 642,1099, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 70 VAL HA 69 LEU HA 5.50 (# 3542:25 Preassigned 4.39, 4.40 A)
&rst
ixpk= 3542, nxpk= 25, iat=1118,1099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 LEU HA 69 LEU HA 3.50 (# 3543:25 Preassigned 3.17, 3.37 A)
&rst
ixpk= 3543, nxpk= 25, iat= 683,1099, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 ARG HN 69 LEU HA 7.00 (# 3544:25 Preassigned 5.79, 5.91 A)
&rst
ixpk= 3544, nxpk= 25, iat= 657,1099, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 69 LEU HN 69 LEU HA 4.50 (# 3545:25 Preassigned 2.88, 2.89 A)
&rst
ixpk= 3545, nxpk= 25, iat=1097,1099, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 VAL HN 69 LEU HA 3.50 (# 3546:25 Preassigned 2.14, 2.14 A)
&rst
ixpk= 3546, nxpk= 25, iat=1116,1099, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:3547 67 LEU HA 5.50 (# 3547:25 Single Ambig)
&rst
ixpk= 3547, nxpk= 25, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 976, 977, 978, 969, 970, 971,
&end
#
# 0 AMB 25-3:3548 67 LEU HA 3.50 (# 3548:25 Single Ambig)
&rst
ixpk= 3548, nxpk= 25, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
1075,1076,
&end
#
# 6 LYS HB+ 67 LEU HA 5.50 (# 3551:25 Preassigned 5.70, 6.20 A)
&rst
ixpk= 3551, nxpk= 25, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 97, 98,
&end
#
# 0 AMB 25-3:3552 0 AMB 25-1:3552 2.80 (# 3552:25 Double Ambig)
&rst
ixpk= 3552, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1065,1066,1136,1137,
igr2=1063,1134,
&end
#
# 0 AMB 25-3:3553 0 AMB 25-1:3553 2.80 (# 3553:25 Double Ambig)
&rst
ixpk= 3553, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1139,1068,1136,1137,
igr2=1134,1063,
&end
#
# 68 HIS HB- 67 LEU HA 4.50 (# 3555:25 Preassigned 4.01, 4.77 A)
&rst
ixpk= 3555, nxpk= 25, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1084,1085,
&end
#
# 45 PHE HB- 67 LEU HA 4.50 (# 3556:25 Preassigned 3.60, 4.55 A)
&rst
ixpk= 3556, nxpk= 25, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 723, 724,
&end
#
# 45 PHE HB+ 67 LEU HA 4.50 (# 3557:25 Preassigned 3.60, 4.55 A)
&rst
ixpk= 3557, nxpk= 25, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 723, 724,
&end
#
# 45 PHE HD1 67 LEU HA 3.50 (# 3561:25 Preassigned 2.18, 2.28 A)
&rst
ixpk= 3561, nxpk= 25, iat= 727,1063, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 25-3:3562 0 AMB 25-1:3562 5.50 (# 3562:25 Double Ambig)
&rst
ixpk= 3562, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 729, 640,
igr2=1063,1134,
&end
#
# 42 ARG HN 71 LEU HA 7.00 (# 3563:25 Unique 2.31, 2.45 A)
&rst
ixpk= 3563, nxpk= 25, iat= 657,1134, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 68 HIS HN 67 LEU HA 3.50 (# 3566:25 Preassigned 2.40, 2.47 A)
&rst
ixpk= 3566, nxpk= 25, iat=1080,1063, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 LEU HN 67 LEU HA 4.50 (# 3567:25 Preassigned 2.90, 2.92 A)
&rst
ixpk= 3567, nxpk= 25, iat=1061,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 VAL QG+ 16 GLU HA 4.50 (# 3568:25 Preassigned 3.55, 4.99 A)
&rst
ixpk= 3568, nxpk= 25, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 17 VAL QG- 16 GLU HA 4.50 (# 3569:25 Preassigned 3.55, 4.99 A)
&rst
ixpk= 3569, nxpk= 25, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 278, 279, 280, 282, 283, 284,
&end
#
# 16 GLU HB- 16 GLU HA 3.50 (# 3570:25 Preassigned 2.73, 2.84 A)
&rst
ixpk= 3570, nxpk= 25, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 261, 262,
&end
#
# 16 GLU HB+ 16 GLU HA 3.50 (# 3571:25 Preassigned 2.73, 2.84 A)
&rst
ixpk= 3571, nxpk= 25, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 261, 262,
&end
#
# 16 GLU HG- 16 GLU HA 4.50 (# 3572:25 Preassigned 2.19, 2.55 A)
&rst
ixpk= 3572, nxpk= 25, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 264, 265,
&end
#
# 2 GLN HA 16 GLU HA 3.50 (# 3573:25 Preassigned 1.86, 1.90 A)
&rst
ixpk= 3573, nxpk= 25, iat= 23, 259, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 GLU HN 16 GLU HA 4.50 (# 3574:25 Preassigned 2.87, 2.88 A)
&rst
ixpk= 3574, nxpk= 25, iat= 257, 259, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ILE HN 16 GLU HA 4.50 (# 3575:25 Preassigned 3.58, 3.59 A)
&rst
ixpk= 3575, nxpk= 25, iat= 38, 259, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 VAL HN 16 GLU HA 2.80 (# 3576:25 Preassigned 2.14, 2.14 A)
&rst
ixpk= 3576, nxpk= 25, iat= 272, 259, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 THR HA 22 THR HA 3.50 (# 3577:25 Preassigned 1.84, 1.88 A)
&rst
ixpk= 3577, nxpk= 25, iat= 874, 342, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 THR HN 22 THR HA 4.50 (# 3578:25 Preassigned 2.84, 2.86 A)
&rst
ixpk= 3578, nxpk= 25, iat= 340, 342, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 ILE HN 22 THR HA 3.50 (# 3579:25 Preassigned 2.20, 2.22 A)
&rst
ixpk= 3579, nxpk= 25, iat= 354, 342, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 76 GLY HN 76 GLY HA+ 4.50 (# 3582:25 Preassigned 2.29, 2.61 A)
&rst
ixpk= 3582, nxpk= 25, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1227,1228,
&end
#
# 76 GLY HN 76 GLY HA- 4.50 (# 3583:25 Preassigned 2.29, 2.61 A)
&rst
ixpk= 3583, nxpk= 25, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1227,1228,
&end
#
# 0 AMB 25-3:3584 0 AMB 25-1:3584 2.80 (# 3584:25 Double Ambig)
&rst
ixpk= 3584, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1106,1107,1108,1110,1111,1112, 83, 84, 85, 87,
88, 89, 83, 84, 85, 87, 88, 89,1070,1071,
1072,1074,1075,1076, 83, 84, 85, 87, 88, 89,
igr2=1101,1102,1065,1066,
&end
#
# 0 AMB 25-3:3585 69 LEU HB- 2.80 (# 3585:25 Single Ambig)
&rst
ixpk= 3585, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1106,1107,1108,1110,1111,1112, 83, 84, 85, 87,
88, 89, 83, 84, 85, 87, 88, 89, 478, 479,
480,
igr2=1101,1102,
&end
#
# 69 LEU QD+ 69 LEU HB- 3.50 (# 3586:25 Unique 2.08, 3.47 A)
&rst
ixpk= 3586, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1106,1107,1108,1110,1111,1112,
igr2=1101,1102,
&end
#
# 7 THR QG2 69 LEU HB- 3.50 (# 3587:25 Preassigned 1.94, 3.21 A)
&rst
ixpk= 3587, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 121, 122, 123,
igr2=1101,1102,
&end
#
# 69 LEU HG 69 LEU HB- 3.50 (# 3588:25 Preassigned 2.30, 2.44 A)
&rst
ixpk= 3588, nxpk= 25, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1101,1102,
&end
#
# 5 VAL HA 67 LEU HB+ 5.50 (# 3589:25 Preassigned 2.35, 2.70 A)
&rst
ixpk= 3589, nxpk= 25, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1065,1066,
&end
#
# 67 LEU HA 67 LEU HB+ 3.50 (# 3590:25 Preassigned 2.74, 2.84 A)
&rst
ixpk= 3590, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1065,1066,
&end
#
# 5 VAL HA 67 LEU HB- 4.50 (# 3591:25 Preassigned 2.35, 2.70 A)
&rst
ixpk= 3591, nxpk= 25, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1065,1066,
&end
#
# 67 LEU HA 67 LEU HB- 4.50 (# 3592:25 Preassigned 2.74, 2.84 A)
&rst
ixpk= 3592, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1065,1066,
&end
#
# 0 AMB 25-3:3593 0 AMB 25-1:3593 5.50 (# 3593:25 Double Ambig)
&rst
ixpk= 3593, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1082,1099, 721,
igr2=1065,1066,1065,1066,1065,1066,
&end
#
# 66 THR HA 67 LEU HB+ 5.50 (# 3594:25 Unique 4.25, 4.77 A)
&rst
ixpk= 3594, nxpk= 25, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1065,1066,
&end
#
# 7 THR HA 69 LEU HB- 3.50 (# 3595:25 Unique 1.59, 2.45 A)
&rst
ixpk= 3595, nxpk= 25, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1101,1102,
&end
#
# 45 PHE HD1 67 LEU HB+ 5.50 (# 3596:25 Preassigned 4.45, 4.82 A)
&rst
ixpk= 3596, nxpk= 25, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1065,1066,
&end
#
# 45 PHE HD1 67 LEU HB- 5.50 (# 3597:25 Preassigned 4.45, 4.82 A)
&rst
ixpk= 3597, nxpk= 25, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1065,1066,
&end
#
# 69 LEU HN 69 LEU HB- 4.50 (# 3598:25 Preassigned 2.22, 2.59 A)
&rst
ixpk= 3598, nxpk= 25, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1101,1102,
&end
#
# 7 THR HN 69 LEU HB- 5.50 (# 3599:25 Unique 3.77, 4.47 A)
&rst
ixpk= 3599, nxpk= 25, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1101,1102,
&end
#
# 68 HIS HN 67 LEU HB+ 4.50 (# 3600:25 Preassigned 2.67, 3.38 A)
&rst
ixpk= 3600, nxpk= 25, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1065,1066,
&end
#
# 0 AMB 25-3:3601 69 LEU HB- 4.50 (# 3601:25 Single Ambig)
&rst
ixpk= 3601, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 129,1116,
igr2=1101,1102,
&end
#
# 68 HIS HN 67 LEU HB- 4.50 (# 3602:25 Preassigned 2.67, 3.38 A)
&rst
ixpk= 3602, nxpk= 25, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1065,1066,
&end
#
# 67 LEU HN 67 LEU HB- 4.50 (# 3603:25 Preassigned 2.20, 2.66 A)
&rst
ixpk= 3603, nxpk= 25, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1065,1066,
&end
#
# 67 LEU HN 67 LEU HB+ 4.50 (# 3604:25 Preassigned 2.20, 2.66 A)
&rst
ixpk= 3604, nxpk= 25, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1065,1066,
&end
#
# 0 AMB 25-3:3606 0 AMB 25-1:3606 2.80 (# 3606:25 Double Ambig)
&rst
ixpk= 3606, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,1141,1142,1143,1145,1146,1147,
igr2=1179,1180,1136,1137,
&end
#
# 0 AMB 25-3:3611 71 LEU HB- 4.50 (# 3611:25 Single Ambig)
&rst
ixpk= 3611, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 630, 631, 630, 631,
igr2=1136,1137,
&end
#
# 0 AMB 25-3:3615 0 AMB 25-1:3615 5.50 (# 3615:25 Double Ambig)
&rst
ixpk= 3615, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 635, 636,1036,
igr2=1136,1137, 42,
&end
#
# 3 ILE HN 3 ILE HB 5.50 (# 3616:25 Preassigned 3.64, 3.66 A)
&rst
ixpk= 3616, nxpk= 25, iat= 38, 42, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LEU HN 71 LEU HB- 4.50 (# 3618:25 Preassigned 2.15, 2.75 A)
&rst
ixpk= 3618, nxpk= 25, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1136,1137,
&end
#
# 73 LEU HN 73 LEU HB- 3.50 (# 3619:25 Preassigned 3.70, 3.87 A)
&rst
ixpk= 3619, nxpk= 25, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1179,1180,
&end
#
# 63 LYS HB- 63 LYS HD+ 2.80 (# 3620:25 Unique 1.96, 3.20 A)
&rst
ixpk= 3620, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1003,1004,
igr2=1009,1010,
&end
#
# 0 AMB 25-3:3621 0 AMB 25-1:3621 7.00 (# 3621:25 Double Ambig)
&rst
ixpk= 3621, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1= 989, 990,1028,1029,1028,1029,
igr2=1009,1010,1009,1010,1009,1010,
&end
#
# 64 GLU HB- 63 LYS HD+ 4.50 (# 3622:25 Preassigned 4.68, 6.54 A)
&rst
ixpk= 3622, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1025,1026,
igr2=1009,1010,
&end
#
# 45 PHE HB- 67 LEU HG 4.50 (# 3623:25 Preassigned 3.27, 4.27 A)
&rst
ixpk= 3623, nxpk= 25, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 723, 724,
&end
#
# 0 AMB 25-3:3624 0 AMB 25-1:3624 4.50 (# 3624:25 Double Ambig)
&rst
ixpk= 3624, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1025,1026, 11, 12,
igr2=1009,1010,1009,1010,
&end
#
# 63 LYS HA 63 LYS HD+ 4.50 (# 3625:25 Preassigned 4.27, 4.58 A)
&rst
ixpk= 3625, nxpk= 25, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1009,1010,
&end
#
# 15 LEU HA 16 GLU HB+ 4.50 (# 3626:25 Preassigned 4.22, 4.90 A)
&rst
ixpk= 3626, nxpk= 25, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 261, 262,
&end
#
# 0 AMB 25-3:3627 0 AMB 25-1:3627 4.50 (# 3627:25 Double Ambig)
&rst
ixpk= 3627, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 240, 79,
igr2= 261, 262,1068,
&end
#
# 16 GLU HA 16 GLU HB+ 3.50 (# 3628:25 Preassigned 2.73, 2.84 A)
&rst
ixpk= 3628, nxpk= 25, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 261, 262,
&end
#
# 16 GLU HA 16 GLU HB- 3.50 (# 3629:25 Preassigned 2.73, 2.84 A)
&rst
ixpk= 3629, nxpk= 25, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 261, 262,
&end
#
# 2 GLN HA 16 GLU HB- 4.50 (# 3630:25 Unique 4.48, 4.66 A)
&rst
ixpk= 3630, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 261, 262,
&end
#
# 0 AMB 25-3:3631 67 LEU HG 4.50 (# 3631:25 Single Ambig)
&rst
ixpk= 3631, nxpk= 25, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 721,1082,
&end
#
# 16 GLU HN 16 GLU HB+ 3.50 (# 3632:25 Preassigned 2.13, 2.78 A)
&rst
ixpk= 3632, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 261, 262,
&end
#
# 16 GLU HN 16 GLU HB- 3.50 (# 3633:25 Preassigned 2.13, 2.78 A)
&rst
ixpk= 3633, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 261, 262,
&end
#
# 45 PHE HD1 67 LEU HG 4.50 (# 3634:25 Preassigned 3.75, 4.00 A)
&rst
ixpk= 3634, nxpk= 25, iat= 727,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 LYS HN 63 LYS HD+ 4.50 (# 3635:25 Preassigned 3.84, 4.16 A)
&rst
ixpk= 3635, nxpk= 25, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1009,1010,
&end
#
# 17 VAL HN 16 GLU HB+ 4.50 (# 3636:25 Preassigned 3.56, 4.07 A)
&rst
ixpk= 3636, nxpk= 25, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 261, 262,
&end
#
# 17 VAL HN 16 GLU HB- 4.50 (# 3637:25 Preassigned 3.56, 4.07 A)
&rst
ixpk= 3637, nxpk= 25, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 261, 262,
&end
#
# 12 THR HN 0 AMB 25-1:3638 5.50 (# 3638:25 Single Ambig)
&rst
ixpk= 3638, nxpk= 25, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 103, 104, 103, 104,
&end
#
# 16 GLU HG- 16 GLU HB+ 3.50 (# 3639:25 Preassigned 2.31, 2.72 A)
&rst
ixpk= 3639, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 264, 265,
igr2= 261, 262,
&end
#
# 16 GLU HG- 16 GLU HB- 3.50 (# 3640:25 Preassigned 2.31, 2.72 A)
&rst
ixpk= 3640, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 264, 265,
igr2= 261, 262,
&end
#
# 16 GLU HG+ 16 GLU HB+ 3.50 (# 3641:25 Preassigned 2.31, 2.72 A)
&rst
ixpk= 3641, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 264, 265,
igr2= 261, 262,
&end
#
# 16 GLU HG+ 16 GLU HB- 2.80 (# 3642:25 Preassigned 2.31, 2.72 A)
&rst
ixpk= 3642, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 264, 265,
igr2= 261, 262,
&end
#
# 17 VAL QG- 16 GLU HB+ 4.50 (# 3643:25 Preassigned 5.02, 6.23 A)
&rst
ixpk= 3643, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 261, 262,
&end
#
# 17 VAL QG+ 1 MET HG- 3.50 (# 3644:25 Preassigned 3.53, 6.10 A)
&rst
ixpk= 3644, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 278, 279, 280, 282, 283, 284,
igr2= 11, 12,
&end
#
# 3 ILE QG2 1 MET HG- 3.50 (# 3645:25 Preassigned 3.76, 5.16 A)
&rst
ixpk= 3645, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 44, 45, 46,
igr2= 11, 12,
&end
#
# 0 AMB 25-3:3646 0 AMB 25-1:3646 3.50 (# 3646:25 Double Ambig)
&rst
ixpk= 3646, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 630, 631, 630, 631, 630, 631,
igr2=1198,1199,1198,1199,1155,1156,
&end
#
# 18 GLU HG- 18 GLU HB- 3.50 (# 3647:25 Preassigned 2.29, 2.66 A)
&rst
ixpk= 3647, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 295, 296,
igr2= 292, 293,
&end
#
# 40 GLN HB+ 74 ARG HB- 4.50 (# 3648:25 Unique 1.95, 4.55 A)
&rst
ixpk= 3648, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 627, 628,
igr2=1198,1199,
&end
#
# 0 AMB 25-3:3649 0 AMB 25-1:3649 3.50 (# 3649:25 Double Ambig)
&rst
ixpk= 3649, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1161,1162,1161,1162,1204,1205,1204,1205,
igr2=1155,1156,1198,1199,1198,1199,
&end
#
# 63 LYS HA 1 MET HG- 4.50 (# 3651:25 Preassigned 1.96, 2.93 A)
&rst
ixpk= 3651, nxpk= 25, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 11, 12,
&end
#
# 0 AMB 25-3:3653 0 AMB 25-1:3653 3.50 (# 3653:25 Double Ambig)
&rst
ixpk= 3653, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1196,1153,
igr2=1198,1199,1155,1156,
&end
#
# 19 PRO HD- 18 GLU HB- 4.50 (# 3654:25 Preassigned 2.14, 3.37 A)
&rst
ixpk= 3654, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 304, 305,
igr2= 292, 293,
&end
#
# 19 PRO HD+ 18 GLU HB- 4.50 (# 3655:25 Preassigned 2.14, 3.37 A)
&rst
ixpk= 3655, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 304, 305,
igr2= 292, 293,
&end
#
# 0 AMB 25-3:3658 0 AMB 25-1:3658 5.50 (# 3658:25 Double Ambig)
&rst
ixpk= 3658, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 321, 322, 313, 40,
igr2= 292, 293, 25, 26,
&end
#
# 18 GLU HA 18 GLU HB- 3.50 (# 3660:25 Preassigned 2.24, 2.55 A)
&rst
ixpk= 3660, nxpk= 25, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 292, 293,
&end
#
# 0 AMB 25-3:3661 18 GLU HB- 5.50 (# 3661:25 Single Ambig)
&rst
ixpk= 3661, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 274, 330,
igr2= 292, 293,
&end
#
# 2 GLN HA 2 GLN HB- 3.50 (# 3662:25 Preassigned 2.30, 2.46 A)
&rst
ixpk= 3662, nxpk= 25, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 25, 26,
&end
#
# 3 ILE HN 2 GLN HB- 4.50 (# 3663:25 Unique 2.55, 3.31 A)
&rst
ixpk= 3663, nxpk= 25, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 25, 26,
&end
#
# 18 GLU HN 18 GLU HB- 3.50 (# 3664:25 Preassigned 2.41, 3.40 A)
&rst
ixpk= 3664, nxpk= 25, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 292, 293,
&end
#
# 2 GLN HN 2 GLN HB- 3.50 (# 3665:25 Preassigned 2.99, 3.47 A)
&rst
ixpk= 3665, nxpk= 25, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 25, 26,
&end
#
# 0 AMB 25-3:3666 1 MET HG- 4.50 (# 3666:25 Single Ambig)
&rst
ixpk= 3666, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 21, 272,
igr2= 11, 12,
&end
#
# 64 GLU HN 1 MET HG- 5.50 (# 3669:25 Preassigned 3.12, 4.24 A)
&rst
ixpk= 3669, nxpk= 25, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 11, 12,
&end
#
# 0 AMB 25-3:3670 42 ARG HB- 4.50 (# 3670:25 Single Ambig)
&rst
ixpk= 3670, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 713, 714, 715,1106,1107,1108,1110,1111,1112,
igr2= 661, 662,
&end
#
# 70 VAL QG+ 42 ARG HB- 4.50 (# 3671:25 Unique 1.81, 4.60 A)
&rst
ixpk= 3671, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1122,1123,1124,1126,1127,1128,
igr2= 661, 662,
&end
#
# 70 VAL QG- 42 ARG HB- 4.50 (# 3672:25 Unique 1.81, 4.60 A)
&rst
ixpk= 3672, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1122,1123,1124,1126,1127,1128,
igr2= 661, 662,
&end
#
# 0 AMB 25-3:3673 42 ARG HB- 4.50 (# 3673:25 Single Ambig)
&rst
ixpk= 3673, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 785, 786, 785, 786,
igr2= 661, 662,
&end
#
# 42 ARG HD+ 42 ARG HB- 3.50 (# 3674:25 Preassigned 1.94, 2.94 A)
&rst
ixpk= 3674, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 667, 668,
igr2= 661, 662,
&end
#
# 42 ARG HA 42 ARG HB- 3.50 (# 3675:25 Preassigned 2.26, 2.75 A)
&rst
ixpk= 3675, nxpk= 25, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 661, 662,
&end
#
# 42 ARG HN 42 ARG HB- 4.50 (# 3676:25 Preassigned 2.22, 2.64 A)
&rst
ixpk= 3676, nxpk= 25, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 661, 662,
&end
#
# 43 LEU HN 42 ARG HB- 4.50 (# 3678:25 Preassigned 3.52, 3.89 A)
&rst
ixpk= 3678, nxpk= 25, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 661, 662,
&end
#
# 70 VAL HN 42 ARG HB- 5.50 (# 3679:25 Preassigned 4.29, 5.05 A)
&rst
ixpk= 3679, nxpk= 25, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 661, 662,
&end
#
# 33 LYS HA 13 ILE HG1+ 4.50 (# 3681:25 Preassigned 4.27, 5.08 A)
&rst
ixpk= 3681, nxpk= 25, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 215, 216,
&end
#
# 0 AMB 25-3:3682 0 AMB 25-1:3682 3.50 (# 3682:25 Double Ambig)
&rst
ixpk= 3682, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 533, 534, 533, 534,
igr2= 215, 216, 215, 216,
&end
#
# 67 LEU HG 43 LEU HG 2.80 (# 3683:25 Unique 2.67, 2.79 A)
&rst
ixpk= 3683, nxpk= 25, iat=1068, 688, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 37 PRO HG+ 71 LEU QD+ 5.50 (# 3694:25 Unique 5.79, 7.50 A)
&rst
ixpk= 3694, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 587, 588,
igr2=1141,1142,1143,1145,1146,1147,
&end
#
# 41 GLN HA 71 LEU QD+ 5.50 (# 3696:25 Unique 2.90, 5.18 A)
&rst
ixpk= 3696, nxpk= 25, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1141,1142,1143,1145,1146,1147,
&end
#
# 41 GLN HN 71 LEU QD+ 5.50 (# 3699:25 Unique 5.50, 7.14 A)
&rst
ixpk= 3699, nxpk= 25, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1141,1142,1143,1145,1146,1147,
&end
#
# 42 ARG HN 71 LEU QD+ 5.50 (# 3700:25 Unique 4.14, 6.19 A)
&rst
ixpk= 3700, nxpk= 25, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1141,1142,1143,1145,1146,1147,
&end
#
# 23 ILE HG1- 43 LEU QD+ 3.50 (# 3703:25 Unique 3.58, 6.55 A)
&rst
ixpk= 3703, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 364, 365,
igr2= 690, 691, 692, 694, 695, 696,
&end
#
# 41 GLN HG+ 43 LEU QD+ 3.50 (# 3707:25 Unique 3.06, 5.67 A)
&rst
ixpk= 3707, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 647, 648,
igr2= 690, 691, 692, 694, 695, 696,
&end
#
# 41 GLN HA 43 LEU QD+ 5.50 (# 3708:25 Preassigned 5.50, 7.58 A)
&rst
ixpk= 3708, nxpk= 25, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 690, 691, 692, 694, 695, 696,
&end
#
# 41 GLN HN 71 LEU QD+ 4.50 (# 3711:25 Unique 5.50, 7.14 A)
&rst
ixpk= 3711, nxpk= 25, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1141,1142,1143,1145,1146,1147,
&end
#
# 0 AMB 25-3:3712 0 AMB 25-1:3712 3.50 (# 3712:25 Double Ambig)
&rst
ixpk= 3712, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 657, 402,
igr2= 690, 691, 692, 694, 695, 696, 690, 691, 692, 694,
695, 696,
&end
#
# 70 VAL HN 43 LEU QD+ 4.50 (# 3713:25 Unique 3.39, 5.48 A)
&rst
ixpk= 3713, nxpk= 25, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 690, 691, 692, 694, 695, 696,
&end
#
# 0 AMB 25-3:3714 0 AMB 25-1:3714 4.50 (# 3714:25 Double Ambig)
&rst
ixpk= 3714, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1= 408, 409, 410, 412, 413, 414, 48, 49,
igr2= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
252, 253,
&end
#
# 15 LEU HB+ 15 LEU QD+ 3.50 (# 3715:25 Preassigned 1.99, 3.20 A)
&rst
ixpk= 3715, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 242, 243,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 15 LEU HG 15 LEU QD+ 2.80 (# 3716:25 Preassigned 2.24, 2.63 A)
&rst
ixpk= 3716, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 0 AMB 25-3:3717 0 AMB 25-1:3717 3.50 (# 3717:25 Double Ambig)
&rst
ixpk= 3717, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 457, 458, 527, 528,
igr2= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
252, 253,
&end
#
# 0 AMB 25-3:3718 0 AMB 25-1:3718 3.50 (# 3718:25 Double Ambig)
&rst
ixpk= 3718, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr1= 42, 530, 531, 530, 531,1065,1066,
igr2= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
252, 253, 247, 248, 249, 251, 252, 253, 247, 248,
249, 251, 252, 253,
&end
#
# 0 AMB 25-3:3719 0 AMB 25-1:3719 3.50 (# 3719:25 Double Ambig)
&rst
ixpk= 3719, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 460, 461, 457, 458,
igr2= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
252, 253,
&end
#
# 29 LYS HB- 15 LEU QD+ 3.50 (# 3720:25 Unique 2.25, 3.83 A)
&rst
ixpk= 3720, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 454, 455,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 29 LYS HB+ 15 LEU QD+ 3.50 (# 3721:25 Preassigned 2.25, 3.83 A)
&rst
ixpk= 3721, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 454, 455,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 0 AMB 25-3:3722 0 AMB 25-1:3722 4.50 (# 3722:25 Double Ambig)
&rst
ixpk= 3722, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 276, 406,
igr2= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
252, 253,
&end
#
# 29 LYS HE- 15 LEU QD+ 5.50 (# 3724:25 Preassigned 4.02, 6.01 A)
&rst
ixpk= 3724, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 463, 464,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 0 AMB 25-3:3725 0 AMB 25-1:3725 4.50 (# 3725:25 Double Ambig)
&rst
ixpk= 3725, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 533, 534, 533, 534, 463, 464,
igr2= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
252, 253, 247, 248, 249, 251, 252, 253,
&end
#
# 26 VAL HA 15 LEU QD+ 5.50 (# 3726:25 Preassigned 3.39, 4.48 A)
&rst
ixpk= 3726, nxpk= 25, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 30 ILE HA 15 LEU QD+ 4.50 (# 3727:25 Preassigned 4.09, 5.83 A)
&rst
ixpk= 3727, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 29 LYS HA 15 LEU QD+ 4.50 (# 3728:25 Preassigned 4.54, 6.13 A)
&rst
ixpk= 3728, nxpk= 25, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 15 LEU HA 15 LEU QD+ 3.50 (# 3730:25 Preassigned 3.93, 4.76 A)
&rst
ixpk= 3730, nxpk= 25, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 14 THR HA 15 LEU QD+ 5.50 (# 3731:25 Preassigned 4.04, 6.17 A)
&rst
ixpk= 3731, nxpk= 25, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 29 LYS HN 15 LEU QD+ 4.50 (# 3733:25 Preassigned 4.72, 5.97 A)
&rst
ixpk= 3733, nxpk= 25, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 16 GLU HN 15 LEU QD+ 3.50 (# 3734:25 Preassigned 3.52, 5.34 A)
&rst
ixpk= 3734, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 0 AMB 25-3:3735 0 AMB 25-1:3735 4.50 (# 3735:25 Double Ambig)
&rst
ixpk= 3735, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 38, 472,
igr2= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
252, 253,
&end
#
# 0 AMB 25-3:3736 0 AMB 25-1:3736 5.50 (# 3736:25 Double Ambig)
&rst
ixpk= 3736, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 418, 491,
igr2= 247, 248, 249, 251, 252, 253, 247, 248, 249, 251,
252, 253,
&end
#
# 15 LEU HN 15 LEU QD+ 4.50 (# 3737:25 Preassigned 2.88, 4.48 A)
&rst
ixpk= 3737, nxpk= 25, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 5 VAL HN 15 LEU QD+ 7.00 (# 3739:25 Preassigned 3.59, 6.14 A)
&rst
ixpk= 3739, nxpk= 25, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 50 LEU QD- 67 LEU QD+ 5.50 (# 3740:25 Preassigned 2.03, 4.62 A)
&rst
ixpk= 3740, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 804, 805, 806, 808, 809, 810,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 26 VAL QG+ 67 LEU QD+ 3.50 (# 3741:25 Preassigned 2.72, 6.03 A)
&rst
ixpk= 3741, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 408, 409, 410, 412, 413, 414,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 43 LEU HB+ 67 LEU QD+ 3.50 (# 3742:25 Preassigned 2.79, 5.32 A)
&rst
ixpk= 3742, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 685, 686,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 0 AMB 25-3:3743 0 AMB 25-1:3743 4.50 (# 3743:25 Double Ambig)
&rst
ixpk= 3743, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 967, 364, 365,
igr2=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
1075,1076,
&end
#
# 50 LEU HB+ 67 LEU QD+ 4.50 (# 3744:25 Preassigned 4.36, 6.02 A)
&rst
ixpk= 3744, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 799, 800,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 0 AMB 25-3:3745 0 AMB 25-1:3745 3.50 (# 3745:25 Double Ambig)
&rst
ixpk= 3745, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1065,1066, 685, 686,
igr2=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
1075,1076,
&end
#
# 67 LEU HG 67 LEU QD+ 2.80 (# 3746:25 Preassigned 2.24, 2.63 A)
&rst
ixpk= 3746, nxpk= 25, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 5 VAL HB 67 LEU QD+ 4.50 (# 3747:25 Preassigned 5.24, 7.12 A)
&rst
ixpk= 3747, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 26 VAL HB 67 LEU QD+ 5.50 (# 3749:25 Preassigned 4.52, 6.29 A)
&rst
ixpk= 3749, nxpk= 25, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 59 TYR HB+ 67 LEU QD+ 7.00 (# 3750:25 Preassigned 4.34, 6.12 A)
&rst
ixpk= 3750, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 932, 933,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 45 PHE HB- 67 LEU QD+ 4.50 (# 3751:25 Preassigned 2.13, 4.85 A)
&rst
ixpk= 3751, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 723, 724,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 45 PHE HB+ 67 LEU QD+ 3.50 (# 3752:25 Preassigned 2.13, 4.85 A)
&rst
ixpk= 3752, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 723, 724,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 61 ILE HA 67 LEU QD+ 5.50 (# 3753:25 Preassigned 5.46, 7.23 A)
&rst
ixpk= 3753, nxpk= 25, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 65 SER HB- 67 LEU QD+ 5.50 (# 3754:25 Preassigned 3.30, 5.85 A)
&rst
ixpk= 3754, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1040,1041,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 65 SER HB+ 67 LEU QD+ 5.50 (# 3755:25 Preassigned 3.30, 5.85 A)
&rst
ixpk= 3755, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1040,1041,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 0 AMB 25-3:3756 0 AMB 25-1:3756 5.50 (# 3756:25 Double Ambig)
&rst
ixpk= 3756, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 888,1051,
igr2=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
1075,1076,
&end
#
# 5 VAL HA 67 LEU QD+ 5.50 (# 3757:25 Preassigned 4.30, 5.48 A)
&rst
ixpk= 3757, nxpk= 25, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 67 LEU HA 67 LEU QD+ 3.50 (# 3758:25 Preassigned 1.98, 3.70 A)
&rst
ixpk= 3758, nxpk= 25, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 45 PHE HA 67 LEU QD+ 4.50 (# 3759:25 Unique 2.96, 5.36 A)
&rst
ixpk= 3759, nxpk= 25, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 66 THR HA 67 LEU QD+ 4.50 (# 3760:25 Preassigned 5.10, 6.65 A)
&rst
ixpk= 3760, nxpk= 25, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 45 PHE HE1 67 LEU QD+ 4.50 (# 3761:25 Preassigned 3.27, 5.77 A)
&rst
ixpk= 3761, nxpk= 25, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 45 PHE HD1 67 LEU QD+ 3.50 (# 3762:25 Preassigned 1.99, 4.46 A)
&rst
ixpk= 3762, nxpk= 25, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 0 AMB 25-3:3763 0 AMB 25-1:3763 5.50 (# 3763:25 Double Ambig)
&rst
ixpk= 3763, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 795, 57,
igr2=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
1075,1076,
&end
#
# 66 THR HN 67 LEU QD+ 5.50 (# 3764:25 Preassigned 4.62, 6.83 A)
&rst
ixpk= 3764, nxpk= 25, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 0 AMB 25-3:3765 0 AMB 25-1:3765 5.50 (# 3765:25 Double Ambig)
&rst
ixpk= 3765, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1= 739, 719, 681,
igr2=1070,1071,1072,1074,1075,1076,1070,1071,1072,1074,
1075,1076,1070,1071,1072,1074,1075,1076,
&end
#
# 68 HIS HN 67 LEU QD+ 4.50 (# 3766:25 Preassigned 3.36, 4.37 A)
&rst
ixpk= 3766, nxpk= 25, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 44 ILE HN 67 LEU QD+ 5.50 (# 3767:25 Preassigned 4.57, 5.65 A)
&rst
ixpk= 3767, nxpk= 25, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 67 LEU HN 67 LEU QD+ 4.50 (# 3768:25 Preassigned 3.58, 4.89 A)
&rst
ixpk= 3768, nxpk= 25, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1070,1071,1072,1074,1075,1076,
&end
#
# 30 ILE QD1 15 LEU QD- 2.80 (# 3769:25 Preassigned 2.33, 3.99 A)
&rst
ixpk= 3769, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 485, 486, 487,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 0 AMB 25-3:3770 15 LEU QD- 3.50 (# 3770:25 Single Ambig)
&rst
ixpk= 3770, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 408, 409, 410, 412, 413, 414, 48, 49,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 15 LEU HB+ 15 LEU QD- 3.50 (# 3771:25 Preassigned 1.99, 3.20 A)
&rst
ixpk= 3771, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 242, 243,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 15 LEU HG 15 LEU QD- 2.80 (# 3772:25 Preassigned 2.24, 2.63 A)
&rst
ixpk= 3772, nxpk= 25, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 0 AMB 25-3:3773 15 LEU QD- 4.50 (# 3773:25 Single Ambig)
&rst
ixpk= 3773, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 457, 458, 527, 528,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 0 AMB 25-3:3774 15 LEU QD- 3.50 (# 3774:25 Single Ambig)
&rst
ixpk= 3774, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 460, 461, 457, 458,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 30 ILE HG1+ 15 LEU QD- 3.50 (# 3775:25 Preassigned 4.31, 5.76 A)
&rst
ixpk= 3775, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 482, 483,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 29 LYS HB+ 15 LEU QD- 4.50 (# 3776:25 Preassigned 2.25, 3.83 A)
&rst
ixpk= 3776, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 454, 455,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 0 AMB 25-3:3777 15 LEU QD- 4.50 (# 3777:25 Single Ambig)
&rst
ixpk= 3777, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 276, 406,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 0 AMB 25-3:3778 15 LEU QD- 5.50 (# 3778:25 Single Ambig)
&rst
ixpk= 3778, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 533, 534, 533, 534, 463, 464,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 26 VAL HA 15 LEU QD- 5.50 (# 3779:25 Preassigned 3.39, 4.48 A)
&rst
ixpk= 3779, nxpk= 25, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 30 ILE HA 15 LEU QD- 5.50 (# 3780:25 Preassigned 4.09, 5.83 A)
&rst
ixpk= 3780, nxpk= 25, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 29 LYS HA 15 LEU QD- 5.50 (# 3781:25 Preassigned 4.54, 6.13 A)
&rst
ixpk= 3781, nxpk= 25, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 15 LEU HA 15 LEU QD- 4.50 (# 3782:25 Preassigned 3.93, 4.76 A)
&rst
ixpk= 3782, nxpk= 25, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 14 THR HA 15 LEU QD- 5.50 (# 3783:25 Preassigned 4.04, 6.17 A)
&rst
ixpk= 3783, nxpk= 25, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 29 LYS HN 15 LEU QD- 5.50 (# 3785:25 Preassigned 4.72, 5.97 A)
&rst
ixpk= 3785, nxpk= 25, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 16 GLU HN 15 LEU QD- 4.50 (# 3786:25 Preassigned 3.52, 5.34 A)
&rst
ixpk= 3786, nxpk= 25, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 0 AMB 25-3:3787 15 LEU QD- 4.50 (# 3787:25 Single Ambig)
&rst
ixpk= 3787, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 38, 472,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 15 LEU HN 15 LEU QD- 4.50 (# 3788:25 Preassigned 2.88, 4.48 A)
&rst
ixpk= 3788, nxpk= 25, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 5 VAL HN 15 LEU QD- 5.50 (# 3789:25 Preassigned 3.59, 6.14 A)
&rst
ixpk= 3789, nxpk= 25, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 247, 248, 249, 251, 252, 253,
&end
#
# 56 LEU HG 22 THR QG2 7.00 (# 3790:25 Preassigned 7.04, 7.68 A)
&rst
ixpk= 3790, nxpk= 25, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 346, 347, 348,
&end
#
# 23 ILE HG1+ 22 THR QG2 4.50 (# 3791:25 Preassigned 5.12, 6.92 A)
&rst
ixpk= 3791, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 364, 365,
igr2= 346, 347, 348,
&end
#
# 0 AMB 25-3:3792 22 THR QG2 4.50 (# 3792:25 Single Ambig)
&rst
ixpk= 3792, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 377, 378, 377, 378, 852, 853,
igr2= 346, 347, 348,
&end
#
# 0 AMB 25-3:3793 22 THR QG2 5.50 (# 3793:25 Single Ambig)
&rst
ixpk= 3793, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 380, 381, 380, 381, 821, 822,
igr2= 346, 347, 348,
&end
#
# 0 AMB 25-3:3794 22 THR QG2 4.50 (# 3794:25 Single Ambig)
&rst
ixpk= 3794, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 358, 332, 333, 833, 834,
igr2= 346, 347, 348,
&end
#
# 25 ASN HB- 22 THR QG2 5.50 (# 3795:25 Preassigned 5.86, 7.24 A)
&rst
ixpk= 3795, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 392, 393,
igr2= 346, 347, 348,
&end
#
# 21 ASP HB- 22 THR QG2 5.50 (# 3796:25 Preassigned 5.81, 7.07 A)
&rst
ixpk= 3796, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 332, 333,
igr2= 346, 347, 348,
&end
#
# 25 ASN HB+ 22 THR QG2 5.50 (# 3797:25 Preassigned 5.86, 7.24 A)
&rst
ixpk= 3797, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 392, 393,
igr2= 346, 347, 348,
&end
#
# 23 ILE HA 22 THR QG2 7.00 (# 3798:25 Preassigned 6.21, 6.76 A)
&rst
ixpk= 3798, nxpk= 25, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 346, 347, 348,
&end
#
# 24 GLU HA 22 THR QG2 7.00 (# 3799:25 Preassigned 7.22, 7.49 A)
&rst
ixpk= 3799, nxpk= 25, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 346, 347, 348,
&end
#
# 53 GLY HA- 22 THR QG2 4.50 (# 3800:25 Preassigned 3.91, 5.29 A)
&rst
ixpk= 3800, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 843, 844,
igr2= 346, 347, 348,
&end
#
# 0 AMB 25-3:3801 22 THR QG2 5.50 (# 3801:25 Single Ambig)
&rst
ixpk= 3801, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 831, 319,
igr2= 346, 347, 348,
&end
#
# 55 THR HB 22 THR QG2 4.50 (# 3802:25 Unique 4.54, 5.22 A)
&rst
ixpk= 3802, nxpk= 25, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 346, 347, 348,
&end
#
# 0 AMB 25-3:3803 22 THR QG2 3.50 (# 3803:25 Single Ambig)
&rst
ixpk= 3803, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 850, 330,
igr2= 346, 347, 348,
&end
#
# 22 THR HA 22 THR QG2 2.80 (# 3804:25 Preassigned 2.37, 2.92 A)
&rst
ixpk= 3804, nxpk= 25, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 346, 347, 348,
&end
#
# 55 THR HA 22 THR QG2 3.50 (# 3805:25 Preassigned 3.48, 4.31 A)
&rst
ixpk= 3805, nxpk= 25, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 346, 347, 348,
&end
#
# 22 THR HB 22 THR QG2 2.80 (# 3807:25 Preassigned 2.33, 2.64 A)
&rst
ixpk= 3807, nxpk= 25, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 346, 347, 348,
&end
#
# 25 ASN HD2+ 22 THR QG2 5.50 (# 3808:25 Preassigned 5.35, 6.68 A)
&rst
ixpk= 3808, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 397, 398,
igr2= 346, 347, 348,
&end
#
# 54 ARG HN 22 THR QG2 5.50 (# 3809:25 Preassigned 4.40, 5.47 A)
&rst
ixpk= 3809, nxpk= 25, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 346, 347, 348,
&end
#
# 22 THR HN 22 THR QG2 3.50 (# 3810:25 Preassigned 2.70, 3.57 A)
&rst
ixpk= 3810, nxpk= 25, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 346, 347, 348,
&end
#
# 0 AMB 25-3:3811 22 THR QG2 5.50 (# 3811:25 Single Ambig)
&rst
ixpk= 3811, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 886, 402,
igr2= 346, 347, 348,
&end
#
# 23 ILE HN 22 THR QG2 3.50 (# 3812:25 Preassigned 3.67, 4.42 A)
&rst
ixpk= 3812, nxpk= 25, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 346, 347, 348,
&end
#
# 55 THR HN 22 THR QG2 5.50 (# 3813:25 Preassigned 4.29, 5.39 A)
&rst
ixpk= 3813, nxpk= 25, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 346, 347, 348,
&end
#
# 57 SER HN 55 THR QG2 4.50 (# 3815:25 Preassigned 5.16, 5.50 A)
&rst
ixpk= 3815, nxpk= 25, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 878, 879, 880,
&end
#
# 0 AMB 25-3:3816 0 AMB 25-1:3816 3.50 (# 3816:25 Double Ambig)
&rst
ixpk= 3816, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 858, 859,1204,1205,1204,1205,1204,1205,
igr2= 855, 856,1201,1202,1201,1202,1201,1202,
&end
#
# 0 AMB 25-3:3818 1 MET HA 3.50 (# 3818:25 Single Ambig)
&rst
ixpk= 3818, nxpk= 25, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 11, 12,1003,1004,
&end
#
# 36 ILE QD1 36 ILE HA 7.00 (# 3819:25 Preassigned 4.42, 4.68 A)
&rst
ixpk= 3819, nxpk= 25, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 577, 578, 579,
&end
#
# 36 ILE HG1+ 36 ILE HA 3.50 (# 3820:25 Preassigned 2.60, 2.81 A)
&rst
ixpk= 3820, nxpk= 25, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 574, 575,
&end
#
# 37 PRO HG+ 36 ILE HA 4.50 (# 3821:25 Preassigned 4.25, 4.29 A)
&rst
ixpk= 3821, nxpk= 25, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 587, 588,
&end
#
# 0 AMB 25-3:3822 36 ILE HA 4.50 (# 3822:25 Single Ambig)
&rst
ixpk= 3822, nxpk= 25, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 590, 591, 630, 631, 630, 631,
&end
#
# 36 ILE HN 36 ILE HA 4.50 (# 3823:25 Preassigned 2.94, 2.94 A)
&rst
ixpk= 3823, nxpk= 25, iat= 564, 566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 GLU HA 63 LYS HA 4.50 (# 3824:25 Preassigned 4.42, 4.43 A)
&rst
ixpk= 3824, nxpk= 25, iat=1023,1001, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ILE QG2 63 LYS HA 4.50 (# 3825:25 Preassigned 3.46, 4.33 A)
&rst
ixpk= 3825, nxpk= 25, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 44, 45, 46,
&end
#
# 3 ILE QG2 64 GLU HA 4.50 (# 3826:25 Preassigned 4.01, 5.11 A)
&rst
ixpk= 3826, nxpk= 25, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 44, 45, 46,
&end
#
# 14 THR QG2 64 GLU HA 5.50 (# 3827:25 Unique 4.83, 5.38 A)
&rst
ixpk= 3827, nxpk= 25, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 230, 231, 232,
&end
#
# 0 AMB 25-3:3828 64 GLU HA 5.50 (# 3828:25 Single Ambig)
&rst
ixpk= 3828, nxpk= 25, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1006,1007,1006,1007,
&end
#
# 0 AMB 25-3:3829 64 GLU HA 5.50 (# 3829:25 Single Ambig)
&rst
ixpk= 3829, nxpk= 25, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 25, 26, 15, 16, 17,1009,1010,
&end
#
# 0 AMB 25-3:3830 64 GLU HA 5.50 (# 3830:25 Single Ambig)
&rst
ixpk= 3830, nxpk= 25, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 42,1009,1010,
&end
#
# 0 AMB 25-3:3831 64 GLU HA 4.50 (# 3831:25 Single Ambig)
&rst
ixpk= 3831, nxpk= 25, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 28, 29,1003,1004,
&end
#
# 1 MET HB- 64 GLU HA 5.50 (# 3832:25 Preassigned 5.74, 6.68 A)
&rst
ixpk= 3832, nxpk= 25, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 8, 9,
&end
#
# 0 AMB 25-3:3833 64 GLU HA 4.50 (# 3833:25 Single Ambig)
&rst
ixpk= 3833, nxpk= 25, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1001,1040,1041,
&end
#
# 3 ILE HA 64 GLU HA 4.50 (# 3834:25 Preassigned 3.13, 3.18 A)
&rst
ixpk= 3834, nxpk= 25, iat= 40,1023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PHE HD1 64 GLU HA 4.50 (# 3835:25 Preassigned 4.44, 4.47 A)
&rst
ixpk= 3835, nxpk= 25, iat= 65,1023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 SER HN 64 GLU HA 4.50 (# 3836:25 Preassigned 2.57, 2.59 A)
&rst
ixpk= 3836, nxpk= 25, iat=1036,1023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 PHE HN 64 GLU HA 4.50 (# 3837:25 Preassigned 4.05, 4.15 A)
&rst
ixpk= 3837, nxpk= 25, iat= 57,1023, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 25-3:3838 52 ASP HA 4.50 (# 3838:25 Single Ambig)
&rst
ixpk= 3838, nxpk= 25, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 377, 378, 377, 378,
&end
#
# 54 ARG HN 52 ASP HA 5.50 (# 3839:25 Preassigned 3.67, 3.91 A)
&rst
ixpk= 3839, nxpk= 25, iat= 848, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ASP HN 52 ASP HA 3.50 (# 3840:25 Preassigned 2.75, 2.76 A)
&rst
ixpk= 3840, nxpk= 25, iat= 829, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ILE HN 52 ASP HA 4.50 (# 3841:25 Preassigned 3.50, 3.60 A)
&rst
ixpk= 3841, nxpk= 25, iat= 354, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ILE QG2 34 GLU HG+ 3.50 (# 3843:25 Preassigned 2.80, 4.04 A)
&rst
ixpk= 3843, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 211, 212, 213,
igr2= 549, 550,
&end
#
# 0 AMB 25-3:3844 0 AMB 25-1:3844 5.50 (# 3844:25 Double Ambig)
&rst
ixpk= 3844, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1101,1102, 215, 216, 574, 575,
igr2= 549, 550, 549, 550, 549, 550,
&end
#
# 0 AMB 25-3:3845 0 AMB 25-1:3845 4.50 (# 3845:25 Double Ambig)
&rst
ixpk= 3845, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 574, 575, 176, 177, 568,
igr2= 549, 550, 549, 550, 549, 550,
&end
#
# 34 GLU HA 34 GLU HG+ 4.50 (# 3846:25 Preassigned 3.24, 3.46 A)
&rst
ixpk= 3846, nxpk= 25, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 549, 550,
&end
#
# 33 LYS HN 34 GLU HG+ 5.50 (# 3847:25 Preassigned 4.11, 5.02 A)
&rst
ixpk= 3847, nxpk= 25, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 549, 550,
&end
#
# 35 GLY HN 34 GLU HG+ 5.50 (# 3848:25 Preassigned 4.37, 4.81 A)
&rst
ixpk= 3848, nxpk= 25, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 549, 550,
&end
#
# 34 GLU HN 34 GLU HG+ 4.50 (# 3849:25 Preassigned 3.06, 3.75 A)
&rst
ixpk= 3849, nxpk= 25, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 549, 550,
&end
#
# 0 AMB 25-3:3850 27 LYS HD- 4.50 (# 3850:25 Single Ambig)
&rst
ixpk= 3850, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 360, 361, 362, 690, 691, 692, 694, 695, 696, 690,
691, 692, 694, 695, 696,
igr2= 428, 429,
&end
#
# 27 LYS HE+ 27 LYS HD- 4.50 (# 3851:25 Preassigned 2.22, 2.69 A)
&rst
ixpk= 3851, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 431, 432,
igr2= 428, 429,
&end
#
# 24 GLU HA 27 LYS HD- 5.50 (# 3852:25 Preassigned 3.35, 4.29 A)
&rst
ixpk= 3852, nxpk= 25, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 428, 429,
&end
#
# 38 PRO HA 27 LYS HD- 5.50 (# 3853:25 Preassigned 2.74, 3.53 A)
&rst
ixpk= 3853, nxpk= 25, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 428, 429,
&end
#
# 27 LYS HA 27 LYS HD- 5.50 (# 3854:25 Preassigned 3.65, 4.22 A)
&rst
ixpk= 3854, nxpk= 25, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 428, 429,
&end
#
# 0 AMB 25-3:3855 27 LYS HD- 4.50 (# 3855:25 Single Ambig)
&rst
ixpk= 3855, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 418,1151, 611,
igr2= 428, 429,
&end
#
# 0 AMB 25-3:3856 0 AMB 25-1:3856 4.50 (# 3856:25 Double Ambig)
&rst
ixpk= 3856, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 418,1151, 611,
igr2= 428, 429, 428, 429, 428, 429,
&end
#
# 1 MET QE 56 LEU HB- 5.50 (# 3857:25 Preassigned 3.19, 4.00 A)
&rst
ixpk= 3857, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 15, 16, 17,
igr2= 890, 891,
&end
#
# 65 SER HA 61 ILE QG2 5.50 (# 3858:25 Preassigned 4.36, 5.06 A)
&rst
ixpk= 3858, nxpk= 25, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 969, 970, 971,
&end
#
# 0 AMB 25-3:3859 0 AMB 25-1:3859 4.50 (# 3859:25 Double Ambig)
&rst
ixpk= 3859, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 264, 265, 28, 29,
igr2= 25, 26, 25, 26,
&end
#
# 0 AMB 25-3:3860 0 AMB 25-1:3860 3.50 (# 3860:25 Double Ambig)
&rst
ixpk= 3860, nxpk= 25, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1012,1013,1012,1013,
igr2=1009,1010,1009,1010,
&end
#
# 1 MET HA 1 MET HG- 4.50 (# 3862:25 Preassigned 3.58, 3.64 A)
&rst
ixpk= 3862, nxpk= 25, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 11, 12,
&end
#
# 5 VAL HB 12 THR QG2 5.50 (# 3863:25 Unique 5.38, 6.48 A)
&rst
ixpk= 3863, nxpk= 25, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 197, 198, 199,
&end
#
# 68 HIS HD2 6 LYS HG+ 7.00 (# 3864:25 Preassigned 5.64, 7.14 A)
&rst
ixpk= 3864, nxpk= 25, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 100, 101,
&end
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