NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
16882 2aym 6844 cing 1-original 4 AMBER distance NOE simple


#   43 ASN  HN           42 PRO  HA          2.80    (#      0:20  Unique    2.08, 2.59 A)
 &rst
  ixpk= 0, nxpk= 20, iat= 685, 681, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   70 ILE  HN           70 ILE  HA          3.50    (#      1:20  Unique    2.89, 2.90 A)
 &rst
  ixpk= 1, nxpk= 20, iat=1108,1110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 GLY  HN           33 PRO  HA          3.50    (#      2:20  Unique    3.26, 3.43 A)
 &rst
  ixpk= 2, nxpk= 20, iat= 532, 528, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 SER  HN           26 SER  HB+         4.50    (#      3:20  Unique    2.54, 3.09 A)
 &rst
  ixpk= 3, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 404, 405,
 &end
#
#   26 SER  HN           26 SER  HB-         4.50    (#      4:20  Unique    2.54, 3.09 A)
 &rst
  ixpk= 4, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 404, 405,
 &end
#
#   26 SER  HN           26 SER  HA          4.50    (#      5:20  Unique    2.81, 2.84 A)
 &rst
  ixpk= 5, nxpk= 20, iat= 400, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:6       29 PHE  HA          4.50    (#      6:20  Single Ambig)
 &rst
  ixpk= 6, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 447, 493, 494,
 &end
#
#    4 GLU  HN            3 THR  HA          3.50    (#      7:20  Unique    2.20, 2.46 A)
 &rst
  ixpk= 7, nxpk= 20, iat=  45,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 HIS  HN           73 THR  HA          4.50    (#      8:20  Unique    3.10, 3.49 A)
 &rst
  ixpk= 8, nxpk= 20, iat=1169,1157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HN           68 PHE  HA          3.50    (#      9:20  Unique    2.84, 2.86 A)
 &rst
  ixpk= 9, nxpk= 20, iat=1066,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 LYS  HN           68 PHE  HA          3.50    (#     10:20  Unique    2.15, 2.19 A)
 &rst
  ixpk= 10, nxpk= 20, iat=1086,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 THR  HN           79 THR  HA          4.50    (#     11:20  Unique    2.93, 2.96 A)
 &rst
  ixpk= 11, nxpk= 20, iat=1254,1256, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 PHE  HN           79 THR  HA          3.50    (#     12:20  Unique    2.28, 2.37 A)
 &rst
  ixpk= 12, nxpk= 20, iat=1268,1256, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 SER  HN           23 MET  HA          4.50    (#     13:20  Unique    3.12, 3.29 A)
 &rst
  ixpk= 13, nxpk= 20, iat= 400, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 MET  HN           23 MET  HA          3.50    (#     14:20  Unique    2.82, 2.86 A)
 &rst
  ixpk= 14, nxpk= 20, iat= 347, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 MET  HN           24 MET  HA          3.50    (#     15:20  Unique    2.84, 2.88 A)
 &rst
  ixpk= 15, nxpk= 20, iat= 364, 366, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLU  HN           63 GLU  HA          3.50    (#     16:20  Unique    2.81, 2.82 A)
 &rst
  ixpk= 16, nxpk= 20, iat= 998,1000, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 MET  HN           27 MET  HA          3.50    (#     17:20  Unique    2.81, 2.85 A)
 &rst
  ixpk= 17, nxpk= 20, iat= 411, 413, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 SER  HN            0 AMB  20-1:18     4.50    (#     18:20  Single Ambig)
 &rst
  ixpk= 18, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 882, 897,
 &end
#
#   56 LEU  HN           56 LEU  HA          3.50    (#     19:20  Unique    2.87, 2.89 A)
 &rst
  ixpk= 19, nxpk= 20, iat= 895, 897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 ASN  HN           59 ASN  HA          2.80    (#     20:20  Unique    2.80, 2.81 A)
 &rst
  ixpk= 20, nxpk= 20, iat= 942, 944, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 ASN  HD2+         59 ASN  HA          4.50    (#     21:20  Unique    4.30, 4.56 A)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 952,
 &end
#
#   76 MET  HN           76 MET  HA          3.50    (#     22:20  Unique    2.79, 2.81 A)
 &rst
  ixpk= 22, nxpk= 20, iat=1196,1198, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 LYS  HN           76 MET  HA          2.80    (#     23:20  Unique    2.21, 2.25 A)
 &rst
  ixpk= 23, nxpk= 20, iat=1213,1198, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   67 GLY  HN           66 GLN  HA          2.80    (#     24:20  Unique    2.16, 2.18 A)
 &rst
  ixpk= 24, nxpk= 20, iat=1059,1044, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 ALA  HN           74 HIS  HA          2.80    (#     25:20  Unique    2.13, 2.20 A)
 &rst
  ixpk= 25, nxpk= 20, iat=1186,1171, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   74 HIS  HN           74 HIS  HA          4.50    (#     26:20  Unique    2.97, 2.98 A)
 &rst
  ixpk= 26, nxpk= 20, iat=1169,1171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 GLU  HN           19 GLU  HA          2.80    (#     27:20  Unique    2.83, 2.84 A)
 &rst
  ixpk= 27, nxpk= 20, iat= 289, 291, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   36 LYS  HN           36 LYS  HA          4.50    (#     28:20  Unique    2.97, 2.99 A)
 &rst
  ixpk= 28, nxpk= 20, iat= 559, 561, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 LYS  HN           82 LYS  HA          2.80    (#     30:20  Unique    2.23, 2.47 A)
 &rst
  ixpk= 30, nxpk= 20, iat=1320,1300, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   31 GLN  HE2+         28 LEU  HA          3.50    (#     31:20  Unique    2.72, 3.39 A)
 &rst
  ixpk= 31, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 493, 494,
 &end
#
#    5 GLN  HN            4 GLU  HA          2.80    (#     32:20  Unique    2.26, 2.37 A)
 &rst
  ixpk= 32, nxpk= 20, iat=  60,  47, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    3 THR  HN            2 GLN  HA          4.50    (#     34:20  Unique    2.21, 2.39 A)
 &rst
  ixpk= 34, nxpk= 20, iat=  31,  16, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 PHE  HN           31 GLN  HA          4.50    (#     35:20  Unique    3.46, 3.48 A)
 &rst
  ixpk= 35, nxpk= 20, iat= 498, 483, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 VAL  HN           37 GLU  HA          2.80    (#     36:20  Unique    2.33, 2.43 A)
 &rst
  ixpk= 36, nxpk= 20, iat= 596, 583, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   63 GLU  HN           60 ALA  HA          3.50    (#     39:20  Unique    3.24, 3.38 A)
 &rst
  ixpk= 39, nxpk= 20, iat= 998, 958, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 ASN  HN           43 ASN  HA          2.80    (#     40:20  Unique    2.17, 2.65 A)
 &rst
  ixpk= 40, nxpk= 20, iat= 685, 687, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 ARG  HN           43 ASN  HA          4.50    (#     41:20  Unique    3.30, 3.47 A)
 &rst
  ixpk= 41, nxpk= 20, iat= 699, 687, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HN           64 ALA  HA          4.50    (#     42:20  Unique    3.59, 3.60 A)
 &rst
  ixpk= 42, nxpk= 20, iat=1023,1015, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HN           65 LEU  HA          4.50    (#     43:20  Unique    2.97, 2.98 A)
 &rst
  ixpk= 43, nxpk= 20, iat=1023,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 ASN  HN           15 ASN  HA          2.80    (#     44:20  Unique    2.20, 2.21 A)
 &rst
  ixpk= 44, nxpk= 20, iat= 227, 229, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 ASN  HN           30 ASN  HA          3.50    (#     45:20  Unique    2.78, 2.80 A)
 &rst
  ixpk= 45, nxpk= 20, iat= 467, 469, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 LEU  HN           15 ASN  HA          3.50    (#     46:20  Unique    2.81, 2.88 A)
 &rst
  ixpk= 46, nxpk= 20, iat= 241, 229, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 GLN  HN            1 ALA  HA          4.50    (#     47:20  Unique    2.20, 2.91 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  14,   6, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 PHE  HN           48 ALA  HA          2.80    (#     48:20  Unique    2.52, 2.57 A)
 &rst
  ixpk= 48, nxpk= 20, iat= 781, 773, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 ALA  HN           48 ALA  HA          4.50    (#     49:20  Unique    2.89, 2.91 A)
 &rst
  ixpk= 49, nxpk= 20, iat= 771, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 ALA  HN           81 ALA  HA          3.50    (#     50:20  Unique    2.89, 2.91 A)
 &rst
  ixpk= 50, nxpk= 20, iat=1288,1290, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   82 LYS  HN           81 ALA  HA          2.80    (#     51:20  Unique    2.19, 2.36 A)
 &rst
  ixpk= 51, nxpk= 20, iat=1298,1290, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   67 GLY  HN           67 GLY  HA+         3.50    (#     52:20  Unique    2.27, 2.61 A)
 &rst
  ixpk= 52, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1061,1062,
 &end
#
#   15 ASN  HN           14 THR  HB          3.50    (#     53:20  Unique    2.32, 2.39 A)
 &rst
  ixpk= 53, nxpk= 20, iat= 227, 217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 THR  HN           53 THR  HA          4.50    (#     54:20  Unique    2.82, 2.84 A)
 &rst
  ixpk= 54, nxpk= 20, iat= 852, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HD           29 PHE  HA          3.50    (#     55:20  Unique    2.45, 3.41 A)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 455, 463,
 &end
#
#   32 PHE  HD           29 PHE  HA          3.50    (#     56:20  Unique    2.47, 4.40 A)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 506, 514,
 &end
#
#    0 AMB  20-2:57       0 AMB  20-1:57     3.50    (#     57:20  Double Ambig)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1042,1013,
 igr2=1044,1000,
 &end
#
#   57 GLN  HN           57 GLN  HA          4.50    (#     58:20  Unique    2.89, 2.91 A)
 &rst
  ixpk= 58, nxpk= 20, iat= 914, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 GLN  HN           66 GLN  HA          4.50    (#     59:20  Unique    2.83, 2.86 A)
 &rst
  ixpk= 59, nxpk= 20, iat=1042,1044, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 ASN  HD2-         74 HIS  HA          3.50    (#     60:20  Unique    2.61, 3.14 A)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 236, 237,
 &end
#
#   20 THR  HN           19 GLU  HA          4.50    (#     61:20  Unique    3.33, 3.42 A)
 &rst
  ixpk= 61, nxpk= 20, iat= 304, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:62      25 LEU  HA          3.50    (#     62:20  Single Ambig)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 381, 457, 461,
 &end
#
#   28 LEU  HN           28 LEU  HA          3.50    (#     63:20  Unique    2.85, 2.87 A)
 &rst
  ixpk= 63, nxpk= 20, iat= 428, 430, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 GLN  HN           31 GLN  HA          2.80    (#     65:20  Unique    2.82, 2.82 A)
 &rst
  ixpk= 65, nxpk= 20, iat= 481, 483, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 ALA  HN           60 ALA  HA          3.50    (#     66:20  Unique    3.55, 3.55 A)
 &rst
  ixpk= 66, nxpk= 20, iat= 966, 958, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ALA  HN           60 ALA  HA          3.50    (#     67:20  Unique    2.84, 2.84 A)
 &rst
  ixpk= 67, nxpk= 20, iat= 956, 958, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ALA  HN           64 ALA  HA          3.50    (#     68:20  Unique    2.83, 2.83 A)
 &rst
  ixpk= 68, nxpk= 20, iat=1013,1015, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 THR  HN           20 THR  HB          3.50    (#     69:20  Unique    2.60, 2.65 A)
 &rst
  ixpk= 69, nxpk= 20, iat= 304, 308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 THR  HN           20 THR  HA          3.50    (#     70:20  Unique    2.85, 2.87 A)
 &rst
  ixpk= 70, nxpk= 20, iat= 304, 306, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASN  HN           20 THR  HA          2.80    (#     71:20  Unique    2.25, 2.31 A)
 &rst
  ixpk= 71, nxpk= 20, iat= 318, 306, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   35 PHE  HN           33 PRO  HA          4.50    (#     74:20  Unique    4.02, 4.19 A)
 &rst
  ixpk= 74, nxpk= 20, iat= 539, 528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 PHE  HD           59 ASN  HA          5.50    (#     75:20  Unique    4.65, 5.65 A)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1276,1284,
 &end
#
#   25 LEU  HN           22 GLU  HA          4.50    (#     76:20  Unique    3.51, 3.66 A)
 &rst
  ixpk= 76, nxpk= 20, iat= 381, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 PHE  HN           34 GLY  HA+         4.50    (#     77:20  Unique    3.07, 3.34 A)
 &rst
  ixpk= 77, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 534, 535,
 &end
#
#    0 AMB  20-2:78       0 AMB  20-1:78     4.50    (#     78:20  Double Ambig)
 &rst
  ixpk= 78, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 926, 927, 840, 848,
 igr2= 534, 535, 534, 535,
 &end
#
#   32 PHE  HD           32 PHE  HB+         4.50    (#     79:20  Unique    2.33, 3.10 A)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 506, 514,
 igr2= 502, 503,
 &end
#
#   32 PHE  HN           32 PHE  HB+         4.50    (#     80:20  Unique    2.60, 3.19 A)
 &rst
  ixpk= 80, nxpk= 20, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 502, 503,
 &end
#
#   77 LYS  HN           15 ASN  HB+         4.50    (#     81:20  Unique    3.04, 3.86 A)
 &rst
  ixpk= 81, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#   15 ASN  HD2+         15 ASN  HB+         3.50    (#     82:20  Unique    2.21, 3.26 A)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 236, 237,
 igr2= 231, 232,
 &end
#
#   35 PHE  HE           29 PHE  HA          5.50    (#     83:20  Unique    5.82, 6.23 A)
 &rst
  ixpk= 83, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 549, 553,
 &end
#
#   32 PHE  HZ           29 PHE  HA          4.50    (#     84:20  Unique    4.46, 4.51 A)
 &rst
  ixpk= 84, nxpk= 20, iat= 510, 449, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 PHE  HE           29 PHE  HA          5.50    (#     85:20  Unique    2.27, 4.21 A)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 508, 512,
 &end
#
#   28 LEU  HN           25 LEU  HA          4.50    (#     86:20  Unique    2.99, 3.16 A)
 &rst
  ixpk= 86, nxpk= 20, iat= 428, 383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ASN  HD2+         27 MET  HA          4.50    (#     87:20  Unique    3.23, 4.76 A)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 476, 477,
 &end
#
#   37 GLU  HN           36 LYS  HA          4.50    (#     88:20  Unique    3.66, 3.69 A)
 &rst
  ixpk= 88, nxpk= 20, iat= 581, 561, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 GLU  HN           37 GLU  HA          3.50    (#     89:20  Unique    2.91, 2.95 A)
 &rst
  ixpk= 89, nxpk= 20, iat= 581, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 PHE  HD           30 ASN  HA          3.50    (#     90:20  Unique    2.16, 4.04 A)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 547, 555,
 &end
#
#   30 ASN  HD2+         30 ASN  HA          5.50    (#     91:20  Unique    2.63, 4.21 A)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 476, 477,
 &end
#
#    0 AMB  20-2:92       0 AMB  20-1:92     4.50    (#     92:20  Double Ambig)
 &rst
  ixpk= 92, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  72,  73, 114, 115,
 igr2=1300,1322,
 &end
#
#   35 PHE  HE           37 GLU  HA          3.50    (#     94:20  Unique    3.12, 4.31 A)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 549, 553,
 &end
#
#   35 PHE  HZ           37 GLU  HA          4.50    (#     95:20  Unique    2.75, 3.46 A)
 &rst
  ixpk= 95, nxpk= 20, iat= 551, 583, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 GLN  HN           56 LEU  HA          4.50    (#     96:20  Unique    3.57, 3.59 A)
 &rst
  ixpk= 96, nxpk= 20, iat= 914, 897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:97       0 AMB  20-1:97     4.50    (#     97:20  Double Ambig)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 114, 115, 114, 115,
 igr2=1300,1322,
 &end
#
#   15 ASN  HD2-         15 ASN  HB+         4.50    (#     98:20  Unique    2.21, 3.26 A)
 &rst
  ixpk= 98, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 236, 237,
 igr2= 231, 232,
 &end
#
#   58 SER  HG            9 GLN  HA          3.50    (#     99:20  Unique    2.22, 2.27 A)
 &rst
  ixpk= 99, nxpk= 20, iat= 938, 121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 SER  HG           55 GLU  HA          3.50    (#    100:20  Unique    2.38, 2.51 A)
 &rst
  ixpk= 100, nxpk= 20, iat= 938, 882, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 THR  HA           14 THR  HB          3.50    (#    101:20  Unique    2.51, 2.55 A)
 &rst
  ixpk= 101, nxpk= 20, iat= 215, 217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 PHE  HA           33 PRO  HD+         4.50    (#    103:20  Unique    2.03, 2.34 A)
 &rst
  ixpk= 103, nxpk= 20, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 519, 520,
 &end
#
#   76 MET  HN           69 LYS  HA          5.50    (#    106:20  Unique    3.49, 3.56 A)
 &rst
  ixpk= 106, nxpk= 20, iat=1196,1088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 MET  HN           75 ALA  HA          4.50    (#    107:20  Unique    2.15, 2.18 A)
 &rst
  ixpk= 107, nxpk= 20, iat=1196,1188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 GLY  HN           34 GLY  HA-         4.50    (#    108:20  Unique    2.44, 2.74 A)
 &rst
  ixpk= 108, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 534, 535,
 &end
#
#   48 ALA  HN           47 ILE  HA          3.50    (#    109:20  Unique    2.33, 2.41 A)
 &rst
  ixpk= 109, nxpk= 20, iat= 771, 754, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 LYS  HN           52 PHE  HA          3.50    (#    110:20  Unique    2.29, 2.51 A)
 &rst
  ixpk= 110, nxpk= 20, iat= 559, 834, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:111      0 AMB  20-1:111    3.50    (#    111:20  Double Ambig)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1288, 227,1268,
 igr2=1270, 215,
 &end
#
#   53 THR  HN           52 PHE  HA          3.50    (#    112:20  Unique    2.20, 2.26 A)
 &rst
  ixpk= 112, nxpk= 20, iat= 852, 834, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 PHE  HN           51 GLU  HA          3.50    (#    113:20  Unique    2.13, 2.18 A)
 &rst
  ixpk= 113, nxpk= 20, iat= 832, 819, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LEU  HN           12 PHE  HA          2.80    (#    114:20  Unique    2.18, 2.22 A)
 &rst
  ixpk= 114, nxpk= 20, iat= 194, 176, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   14 THR  HN           13 LEU  HA          2.80    (#    115:20  Unique    2.18, 2.23 A)
 &rst
  ixpk= 115, nxpk= 20, iat= 213, 196, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 LEU  HN           10 ILE  HA          4.50    (#    119:20  Unique    2.17, 2.21 A)
 &rst
  ixpk= 119, nxpk= 20, iat= 155, 138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 GLU  HN           54 THR  HA          4.50    (#    120:20  Unique    2.12, 2.16 A)
 &rst
  ixpk= 120, nxpk= 20, iat= 880, 868, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 PHE  HN           11 LEU  HA          4.50    (#    121:20  Unique    2.14, 2.23 A)
 &rst
  ixpk= 121, nxpk= 20, iat= 174, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HN           41 VAL  HA          4.50    (#    122:20  Unique    2.90, 2.95 A)
 &rst
  ixpk= 122, nxpk= 20, iat= 655, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 GLU  HN           55 GLU  HA          4.50    (#    123:20  Unique    2.81, 2.83 A)
 &rst
  ixpk= 123, nxpk= 20, iat= 880, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HN           40 LEU  HA          3.50    (#    124:20  Unique    2.20, 2.37 A)
 &rst
  ixpk= 124, nxpk= 20, iat= 655, 638, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLU  HN           54 THR  HB          4.50    (#    125:20  Unique    2.63, 2.74 A)
 &rst
  ixpk= 125, nxpk= 20, iat= 880, 870, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLN  HN            9 GLN  HA          4.50    (#    126:20  Unique    2.86, 2.89 A)
 &rst
  ixpk= 126, nxpk= 20, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 GLU  HN           17 PRO  HA          2.80    (#    127:20  Unique    2.26, 2.33 A)
 &rst
  ixpk= 127, nxpk= 20, iat= 274, 270, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 GLU  HN           18 GLU  HA          3.50    (#    128:20  Unique    2.79, 2.84 A)
 &rst
  ixpk= 128, nxpk= 20, iat= 274, 276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 GLU  HN           18 GLU  HA          4.50    (#    129:20  Unique    3.37, 3.47 A)
 &rst
  ixpk= 129, nxpk= 20, iat= 289, 276, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 MET  HN           22 GLU  HA          4.50    (#    130:20  Unique    3.52, 3.55 A)
 &rst
  ixpk= 130, nxpk= 20, iat= 347, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLY  HN           67 GLY  HA-         3.50    (#    131:20  Unique    2.27, 2.61 A)
 &rst
  ixpk= 131, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1061,1062,
 &end
#
#   62 LYS  HN           62 LYS  HA          3.50    (#    132:20  Unique    2.83, 2.84 A)
 &rst
  ixpk= 132, nxpk= 20, iat= 976, 978, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 PHE  HN           68 PHE  HB+         3.50    (#    133:20  Unique    2.37, 2.49 A)
 &rst
  ixpk= 133, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1070,1071,
 &end
#
#    0 AMB  20-2:134     62 LYS  HA          4.50    (#    134:20  Single Ambig)
 &rst
  ixpk= 134, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1042,1013,
 &end
#
#   20 THR  HN           18 GLU  HA          5.50    (#    135:20  Unique    3.18, 3.45 A)
 &rst
  ixpk= 135, nxpk= 20, iat= 304, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 PHE  HD           58 SER  HA          4.50    (#    136:20  Unique    3.48, 3.81 A)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 840, 848,
 &end
#
#   39 ARG  HE           39 ARG  HD-         4.50    (#    137:20  Unique    2.24, 2.65 A)
 &rst
  ixpk= 137, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 622, 623,
 &end
#
#    0 AMB  20-2:138      0 AMB  20-1:138    4.50    (#    138:20  Double Ambig)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 114, 115,1276,1284,
 igr2= 109, 110, 109, 110,
 &end
#
#   21 ASN  HD2+         21 ASN  HB+         4.50    (#    139:20  Unique    2.24, 3.30 A)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 327, 328,
 igr2= 322, 323,
 &end
#
#    0 AMB  20-2:140      0 AMB  20-1:140    4.50    (#    140:20  Double Ambig)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1276,1284, 114, 115,
 igr2=1272,1273,1272,1273,
 &end
#
#   32 PHE  HD            0 AMB  20-1:141    3.50    (#    141:20  Single Ambig)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 506, 514,
 igr2= 502, 503, 543, 544,
 &end
#
#   35 PHE  HN            0 AMB  20-1:142    3.50    (#    142:20  Single Ambig)
 &rst
  ixpk= 142, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 543, 544, 502, 503,
 &end
#
#   32 PHE  HN            0 AMB  20-1:144    4.50    (#    144:20  Single Ambig)
 &rst
  ixpk= 144, nxpk= 20, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 502, 503, 543, 544,
 &end
#
#   58 SER  HN           58 SER  HA          4.50    (#    145:20  Unique    2.80, 2.85 A)
 &rst
  ixpk= 145, nxpk= 20, iat= 931, 933, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ASN  HN           43 ASN  HB+         4.50    (#    146:20  Unique    2.79, 3.33 A)
 &rst
  ixpk= 146, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 689, 690,
 &end
#
#   43 ASN  HN           43 ASN  HB-         4.50    (#    147:20  Unique    2.79, 3.33 A)
 &rst
  ixpk= 147, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 689, 690,
 &end
#
#    0 AMB  20-2:148      0 AMB  20-1:148    3.50    (#    148:20  Double Ambig)
 &rst
  ixpk= 148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 801, 781,
 igr2= 785, 786, 785, 786,
 &end
#
#   49 PHE  HN           49 PHE  HB-         3.50    (#    149:20  Unique    2.61, 3.24 A)
 &rst
  ixpk= 149, nxpk= 20, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 785, 786,
 &end
#
#   53 THR  HN            0 AMB  20-1:152    4.50    (#    152:20  Single Ambig)
 &rst
  ixpk= 152, nxpk= 20, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 572, 573, 572, 573,
 &end
#
#   80 PHE  HN           80 PHE  HB-         4.50    (#    153:20  Unique    2.26, 2.97 A)
 &rst
  ixpk= 153, nxpk= 20, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1272,1273,
 &end
#
#   22 GLU  HN           21 ASN  HB+         3.50    (#    154:20  Unique    2.28, 3.70 A)
 &rst
  ixpk= 154, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 322, 323,
 &end
#
#   46 ASP  HN           46 ASP  HB+         4.50    (#    156:20  Unique    2.11, 2.99 A)
 &rst
  ixpk= 156, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 744, 745,
 &end
#
#   12 PHE  HN           12 PHE  HB-         4.50    (#    157:20  Unique    2.40, 2.80 A)
 &rst
  ixpk= 157, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#    9 GLN  HN            0 AMB  20-1:158    3.50    (#    158:20  Single Ambig)
 &rst
  ixpk= 158, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 126, 127, 126, 127,
 &end
#
#   22 GLU  HN            0 AMB  20-1:160    3.50    (#    160:20  Single Ambig)
 &rst
  ixpk= 160, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 339, 340, 339, 340,
 &end
#
#   55 GLU  HN            0 AMB  20-1:161    4.50    (#    161:20  Single Ambig)
 &rst
  ixpk= 161, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 126, 127, 126, 127,
 &end
#
#   76 MET  HN           76 MET  HB+         4.50    (#    162:20  Unique    2.27, 2.43 A)
 &rst
  ixpk= 162, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1200,1201,
 &end
#
#   76 MET  HN           76 MET  HB-         4.50    (#    163:20  Unique    2.27, 2.43 A)
 &rst
  ixpk= 163, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1200,1201,
 &end
#
#   46 ASP  HN           46 ASP  HB-         4.50    (#    164:20  Unique    2.11, 2.99 A)
 &rst
  ixpk= 164, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 744, 745,
 &end
#
#   34 GLY  HN           33 PRO  HB+         4.50    (#    166:20  Unique    3.28, 4.17 A)
 &rst
  ixpk= 166, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 525, 526,
 &end
#
#   15 ASN  HN           15 ASN  HB-         4.50    (#    167:20  Unique    3.01, 3.36 A)
 &rst
  ixpk= 167, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#   22 GLU  HN           22 GLU  HB+         3.50    (#    168:20  Unique    2.17, 2.41 A)
 &rst
  ixpk= 168, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 336, 337,
 &end
#
#   41 VAL  HN           41 VAL  HB          4.50    (#    170:20  Unique    2.38, 2.54 A)
 &rst
  ixpk= 170, nxpk= 20, iat= 655, 659, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HN           40 LEU  HB+         4.50    (#    172:20  Unique    2.08, 3.03 A)
 &rst
  ixpk= 172, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   41 VAL  HN           40 LEU  HB-         4.50    (#    173:20  Unique    2.08, 3.03 A)
 &rst
  ixpk= 173, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   78 ILE  HN           78 ILE  HB          4.50    (#    174:20  Unique    2.58, 2.66 A)
 &rst
  ixpk= 174, nxpk= 20, iat=1235,1239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HN           40 LEU  MDX         4.50    (#    175:20  Unique    3.60, 4.93 A)
 &rst
  ixpk= 175, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   22 GLU  HN           40 LEU  MDX         3.50    (#    176:20  Unique    2.11, 4.04 A)
 &rst
  ixpk= 176, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   79 THR  HN           13 LEU  MDX         4.50    (#    177:20  Unique    3.14, 5.77 A)
 &rst
  ixpk= 177, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   12 PHE  HN           13 LEU  MDX         4.50    (#    178:20  Unique    3.55, 5.99 A)
 &rst
  ixpk= 178, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   78 ILE  HN            0 AMB  20-1:179    4.50    (#    179:20  Single Ambig)
 &rst
  ixpk= 179, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1220,1221,1220,1221,
 &end
#
#    0 AMB  20-2:180     79 THR  MG2         4.50    (#    180:20  Single Ambig)
 &rst
  ixpk= 180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1235, 174,
 igr2=1260,1261,1262,
 &end
#
#   79 THR  HN           79 THR  MG2         4.50    (#    181:20  Unique    4.04, 4.72 A)
 &rst
  ixpk= 181, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1260,1261,1262,
 &end
#
#   39 ARG  HN           38 VAL  MGX         3.50    (#    182:20  Unique    2.26, 4.10 A)
 &rst
  ixpk= 182, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   26 SER  HN           38 VAL  MGX         3.50    (#    183:20  Unique    2.86, 4.47 A)
 &rst
  ixpk= 183, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   39 ARG  HN           38 VAL  MGY         3.50    (#    184:20  Unique    2.26, 4.10 A)
 &rst
  ixpk= 184, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   26 SER  HN           38 VAL  MGY         4.50    (#    185:20  Unique    2.86, 4.47 A)
 &rst
  ixpk= 185, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   41 VAL  HN            0 AMB  20-1:186    2.80    (#    186:20  Single Ambig)
 &rst
  ixpk= 186, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   55 GLU  HN           54 THR  MG2         4.50    (#    187:20  Unique    3.23, 4.08 A)
 &rst
  ixpk= 187, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 872, 873, 874,
 &end
#
#   12 PHE  HN           81 ALA  MB          4.50    (#    188:20  Unique    3.04, 4.44 A)
 &rst
  ixpk= 188, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1292,1293,1294,
 &end
#
#   76 MET  HN           75 ALA  MB          3.50    (#    189:20  Unique    3.38, 4.01 A)
 &rst
  ixpk= 189, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1190,1191,1192,
 &end
#
#   11 LEU  HN           10 ILE  MG2         3.50    (#    190:20  Unique    2.44, 3.39 A)
 &rst
  ixpk= 190, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 142, 143, 144,
 &end
#
#   78 ILE  HN           78 ILE  MD1         4.50    (#    191:20  Unique    4.38, 5.03 A)
 &rst
  ixpk= 191, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1248,1249,1250,
 &end
#
#   41 VAL  HN           40 LEU  MDY         3.50    (#    192:20  Unique    3.60, 4.93 A)
 &rst
  ixpk= 192, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   15 ASN  HN           14 THR  MG2         4.50    (#    193:20  Unique    3.77, 4.45 A)
 &rst
  ixpk= 193, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 219, 220, 221,
 &end
#
#   51 GLU  HN           50 VAL  MGY         3.50    (#    194:20  Unique    2.49, 4.07 A)
 &rst
  ixpk= 194, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  HN           50 VAL  MGX         2.80    (#    195:20  Unique    3.00, 4.27 A)
 &rst
  ixpk= 195, nxpk= 20, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   83 LYS  HN            0 AMB  20-1:196    4.50    (#    196:20  Single Ambig)
 &rst
  ixpk= 196, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1327,1328,1327,1328,
 &end
#
#    0 AMB  20-2:197      0 AMB  20-1:197    5.50    (#    197:20  Double Ambig)
 &rst
  ixpk= 197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1320,  60,
 igr2=1305,1306,1305,1306,
 &end
#
#   49 PHE  HN           48 ALA  MB          3.50    (#    198:20  Unique    2.20, 3.13 A)
 &rst
  ixpk= 198, nxpk= 20, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 775, 776, 777,
 &end
#
#   53 THR  HN           53 THR  MG2         4.50    (#    199:20  Unique    4.21, 4.38 A)
 &rst
  ixpk= 199, nxpk= 20, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 858, 859, 860,
 &end
#
#   80 PHE  HN           79 THR  MG2         4.50    (#    200:20  Unique    2.36, 3.58 A)
 &rst
  ixpk= 200, nxpk= 20, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1260,1261,1262,
 &end
#
#   38 VAL  HN           38 VAL  MGX         3.50    (#    201:20  Unique    2.76, 4.15 A)
 &rst
  ixpk= 201, nxpk= 20, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   81 ALA  HN           81 ALA  MB          2.80    (#    202:20  Unique    2.48, 2.95 A)
 &rst
  ixpk= 202, nxpk= 20, iat=1288,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1292,1293,1294,
 &end
#
#   82 LYS  HN           81 ALA  MB          3.50    (#    203:20  Unique    2.34, 3.41 A)
 &rst
  ixpk= 203, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1292,1293,1294,
 &end
#
#   67 GLY  HN           75 ALA  MB          5.50    (#    204:20  Unique    3.68, 4.95 A)
 &rst
  ixpk= 204, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1190,1191,1192,
 &end
#
#   13 LEU  HN           13 LEU  MDY         4.50    (#    205:20  Unique    3.43, 4.76 A)
 &rst
  ixpk= 205, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   40 LEU  HN           40 LEU  MDX         3.50    (#    206:20  Unique    3.32, 4.62 A)
 &rst
  ixpk= 206, nxpk= 20, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   13 LEU  HN           13 LEU  MDX         4.50    (#    207:20  Unique    3.43, 4.76 A)
 &rst
  ixpk= 207, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   14 THR  HN           13 LEU  MDX         4.50    (#    208:20  Unique    4.35, 5.33 A)
 &rst
  ixpk= 208, nxpk= 20, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:209     11 LEU  MDY         4.50    (#    209:20  Single Ambig)
 &rst
  ixpk= 209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1288,1268,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   15 ASN  HN           16 LEU  MDX         5.50    (#    210:20  Unique    5.07, 6.21 A)
 &rst
  ixpk= 210, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   49 PHE  HN           40 LEU  MDY         4.50    (#    211:20  Unique    3.62, 6.34 A)
 &rst
  ixpk= 211, nxpk= 20, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HN           40 LEU  MDY         3.50    (#    212:20  Unique    3.32, 4.62 A)
 &rst
  ixpk= 212, nxpk= 20, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   49 PHE  HN           38 VAL  MGY         4.50    (#    213:20  Unique    3.34, 5.81 A)
 &rst
  ixpk= 213, nxpk= 20, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  HN           38 VAL  MGY         3.50    (#    214:20  Unique    2.76, 4.15 A)
 &rst
  ixpk= 214, nxpk= 20, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   49 PHE  HN            0 AMB  20-1:215    4.50    (#    215:20  Single Ambig)
 &rst
  ixpk= 215, nxpk= 20, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:216     10 ILE  MG2         3.50    (#    216:20  Single Ambig)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 801,1288,
 igr2= 142, 143, 144,
 &end
#
#   15 ASN  HN           47 ILE  MG2         4.50    (#    217:20  Unique    2.88, 4.01 A)
 &rst
  ixpk= 217, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 758, 759, 760,
 &end
#
#   14 THR  HN           14 THR  MG2         4.50    (#    218:20  Unique    3.31, 4.06 A)
 &rst
  ixpk= 218, nxpk= 20, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 219, 220, 221,
 &end
#
#   12 PHE  HN           11 LEU  MDY         4.50    (#    219:20  Unique    3.25, 5.13 A)
 &rst
  ixpk= 219, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   22 GLU  HN           40 LEU  MDY         5.50    (#    220:20  Unique    2.11, 4.04 A)
 &rst
  ixpk= 220, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:221     78 ILE  MG2         4.50    (#    221:20  Single Ambig)
 &rst
  ixpk= 221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 174,1235,
 igr2=1241,1242,1243,
 &end
#
#   79 THR  HN           78 ILE  MG2         3.50    (#    222:20  Unique    2.52, 3.20 A)
 &rst
  ixpk= 222, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1241,1242,1243,
 &end
#
#   36 LYS  HN           36 LYS  HB+         4.50    (#    224:20  Unique    2.55, 3.10 A)
 &rst
  ixpk= 224, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 563, 564,
 &end
#
#   36 LYS  HN           36 LYS  HB-         4.50    (#    225:20  Unique    2.55, 3.10 A)
 &rst
  ixpk= 225, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 563, 564,
 &end
#
#   70 ILE  HN           70 ILE  HG1+        4.50    (#    226:20  Unique    2.13, 2.92 A)
 &rst
  ixpk= 226, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1118,1119,
 &end
#
#   69 LYS  HN           69 LYS  HB-         4.50    (#    227:20  Unique    2.42, 3.05 A)
 &rst
  ixpk= 227, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1090,1091,
 &end
#
#   16 LEU  HN           16 LEU  HG          3.50    (#    228:20  Unique    2.18, 2.23 A)
 &rst
  ixpk= 228, nxpk= 20, iat= 241, 248, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 LYS  HN            0 AMB  20-1:229    4.50    (#    229:20  Single Ambig)
 &rst
  ixpk= 229, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1220,1221,1220,1221,
 &end
#
#   56 LEU  HN           56 LEU  MDX         4.50    (#    230:20  Unique    2.51, 3.93 A)
 &rst
  ixpk= 230, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   62 LYS  HN           11 LEU  MDX         4.50    (#    231:20  Unique    3.17, 4.68 A)
 &rst
  ixpk= 231, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   69 LYS  HN           69 LYS  HG+         4.50    (#    232:20  Unique    2.16, 3.13 A)
 &rst
  ixpk= 232, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1093,1094,
 &end
#
#   56 LEU  HN           56 LEU  MDY         4.50    (#    233:20  Unique    2.51, 3.93 A)
 &rst
  ixpk= 233, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   48 ALA  HN           48 ALA  MB          3.50    (#    234:20  Unique    2.91, 3.48 A)
 &rst
  ixpk= 234, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 775, 776, 777,
 &end
#
#    0 AMB  20-2:235     16 LEU  MDX         3.50    (#    235:20  Single Ambig)
 &rst
  ixpk= 235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 241,1213,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   77 LYS  HN           14 THR  MG2         5.50    (#    237:20  Unique    5.82, 6.38 A)
 &rst
  ixpk= 237, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 219, 220, 221,
 &end
#
#   54 THR  HN           53 THR  MG2         4.50    (#    238:20  Unique    3.24, 4.05 A)
 &rst
  ixpk= 238, nxpk= 20, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  20-2:240      0 AMB  20-1:240    5.50    (#    240:20  Double Ambig)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 447,1169,
 igr2= 602, 603, 604, 606, 607, 608,1161,1162,1163,
 &end
#
#   54 THR  HN           54 THR  MG2         3.50    (#    241:20  Unique    3.78, 4.35 A)
 &rst
  ixpk= 241, nxpk= 20, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 872, 873, 874,
 &end
#
#   56 LEU  HN           54 THR  MG2         4.50    (#    242:20  Unique    4.37, 4.91 A)
 &rst
  ixpk= 242, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 872, 873, 874,
 &end
#
#   44 ARG  HN           41 VAL  MGX         4.50    (#    243:20  Unique    2.70, 4.94 A)
 &rst
  ixpk= 243, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   65 LEU  HN           61 ALA  MB          4.50    (#    244:20  Unique    4.93, 5.56 A)
 &rst
  ixpk= 244, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 970, 971, 972,
 &end
#
#   62 LYS  HN           61 ALA  MB          3.50    (#    246:20  Unique    2.53, 3.40 A)
 &rst
  ixpk= 246, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 970, 971, 972,
 &end
#
#   75 ALA  HN           75 ALA  MB          2.80    (#    247:20  Unique    2.40, 2.91 A)
 &rst
  ixpk= 247, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1190,1191,1192,
 &end
#
#    0 AMB  20-2:248     75 ALA  MB          4.50    (#    248:20  Single Ambig)
 &rst
  ixpk= 248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1108,1213,
 igr2=1190,1191,1192,
 &end
#
#   15 ASN  HD2+         75 ALA  MB          4.50    (#    249:20  Unique    3.01, 4.42 A)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 236, 237,
 igr2=1190,1191,1192,
 &end
#
#   69 LYS  HN           75 ALA  MB          4.50    (#    250:20  Unique    5.04, 5.62 A)
 &rst
  ixpk= 250, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1190,1191,1192,
 &end
#
#   10 ILE  HN           10 ILE  MG2         4.50    (#    251:20  Unique    4.44, 4.81 A)
 &rst
  ixpk= 251, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 142, 143, 144,
 &end
#
#   48 ALA  HN           47 ILE  MG2         4.50    (#    252:20  Unique    4.16, 4.80 A)
 &rst
  ixpk= 252, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 758, 759, 760,
 &end
#
#   70 ILE  HN           70 ILE  MG2         4.50    (#    253:20  Unique    4.41, 4.55 A)
 &rst
  ixpk= 253, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1114,1115,1116,
 &end
#
#   71 THR  HN           70 ILE  MG2         3.50    (#    254:20  Unique    3.68, 4.39 A)
 &rst
  ixpk= 254, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1114,1115,1116,
 &end
#
#   70 ILE  HN           70 ILE  MD1         4.50    (#    255:20  Unique    3.58, 4.22 A)
 &rst
  ixpk= 255, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1121,1122,1123,
 &end
#
#   48 ALA  HN           47 ILE  MD1         4.50    (#    256:20  Unique    3.48, 5.13 A)
 &rst
  ixpk= 256, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 765, 766, 767,
 &end
#
#    0 AMB  20-2:257      0 AMB  20-1:257    4.50    (#    257:20  Double Ambig)
 &rst
  ixpk= 257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 447, 493, 494,
 igr2= 432, 433, 432, 433,
 &end
#
#   10 ILE  HN           10 ILE  MD1         4.50    (#    258:20  Unique    3.48, 5.26 A)
 &rst
  ixpk= 258, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 149, 150, 151,
 &end
#
#   31 GLN  HE2+         28 LEU  MDY         4.50    (#    259:20  Unique    3.32, 5.32 A)
 &rst
  ixpk= 259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 493, 494,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   68 PHE  HN           65 LEU  MDY         5.50    (#    260:20  Unique    5.19, 6.52 A)
 &rst
  ixpk= 260, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  HN           65 LEU  MDY         4.50    (#    261:20  Unique    3.99, 4.79 A)
 &rst
  ixpk= 261, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   68 PHE  HN           75 ALA  MB          4.50    (#    264:20  Unique    4.16, 5.32 A)
 &rst
  ixpk= 264, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1190,1191,1192,
 &end
#
#   68 PHE  HN           77 LYS  HB-         7.00    (#    265:20  Unique    6.79, 7.55 A)
 &rst
  ixpk= 265, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1217,1218,
 &end
#
#   31 GLN  HN           31 GLN  HB+         4.50    (#    272:20  Unique    2.33, 2.96 A)
 &rst
  ixpk= 272, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:273      0 AMB  20-1:273    4.50    (#    273:20  Double Ambig)
 &rst
  ixpk= 273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 114, 115,  72,  73,
 igr2=1330,1331,1330,1331,1308,1309,
 &end
#
#   31 GLN  HN           31 GLN  HB-         4.50    (#    274:20  Unique    2.33, 2.96 A)
 &rst
  ixpk= 274, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 485, 486,
 &end
#
#   28 LEU  HN           28 LEU  HG          3.50    (#    275:20  Unique    2.53, 2.59 A)
 &rst
  ixpk= 275, nxpk= 20, iat= 428, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ALA  HN           64 ALA  MB          2.80    (#    276:20  Unique    2.38, 2.82 A)
 &rst
  ixpk= 276, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1017,1018,1019,
 &end
#
#   32 PHE  HZ           64 ALA  MB          2.80    (#    278:20  Unique    2.28, 2.95 A)
 &rst
  ixpk= 278, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1017,1018,1019,
 &end
#
#   32 PHE  HE           64 ALA  MB          3.50    (#    279:20  Unique    2.80, 4.09 A)
 &rst
  ixpk= 279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 508, 512,
 igr2=1017,1018,1019,
 &end
#
#    8 ASN  HD2+         81 ALA  MB          3.50    (#    280:20  Unique    1.91, 3.88 A)
 &rst
  ixpk= 280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 114, 115,
 igr2=1292,1293,1294,
 &end
#
#   49 PHE  HD           81 ALA  MB          2.80    (#    282:20  Unique    2.56, 5.47 A)
 &rst
  ixpk= 282, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 789, 797,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:283     81 ALA  MB          3.50    (#    283:20  Single Ambig)
 &rst
  ixpk= 283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 114, 115, 791, 795,
 igr2=1292,1293,1294,
 &end
#
#   60 ALA  HN           60 ALA  MB          2.80    (#    284:20  Unique    2.54, 2.91 A)
 &rst
  ixpk= 284, nxpk= 20, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 960, 961, 962,
 &end
#
#   59 ASN  HD2-         60 ALA  MB          4.50    (#    285:20  Unique    3.53, 5.64 A)
 &rst
  ixpk= 285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 951, 952,
 igr2= 960, 961, 962,
 &end
#
#   61 ALA  HN           60 ALA  MB          2.80    (#    286:20  Unique    2.64, 3.46 A)
 &rst
  ixpk= 286, nxpk= 20, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 960, 961, 962,
 &end
#
#   28 LEU  HN           28 LEU  HB-         3.50    (#    287:20  Unique    2.35, 3.01 A)
 &rst
  ixpk= 287, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 432, 433,
 &end
#
#   57 GLN  HN           56 LEU  HB+         4.50    (#    288:20  Unique    2.80, 3.25 A)
 &rst
  ixpk= 288, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 899, 900,
 &end
#
#   57 GLN  HN           56 LEU  HB-         4.50    (#    289:20  Unique    2.80, 3.25 A)
 &rst
  ixpk= 289, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 899, 900,
 &end
#
#   66 GLN  HE2-         66 GLN  HG+         4.50    (#    290:20  Unique    2.19, 3.20 A)
 &rst
  ixpk= 290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2=1049,1050,
 &end
#
#   77 LYS  HN           77 LYS  HB+         4.50    (#    291:20  Unique    2.47, 2.92 A)
 &rst
  ixpk= 291, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1217,1218,
 &end
#
#   77 LYS  HN           77 LYS  HB-         4.50    (#    292:20  Unique    2.47, 2.92 A)
 &rst
  ixpk= 292, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1217,1218,
 &end
#
#   63 GLU  HN           63 GLU  HB-         3.50    (#    293:20  Unique    2.19, 3.03 A)
 &rst
  ixpk= 293, nxpk= 20, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1002,1003,
 &end
#
#   63 GLU  HN           63 GLU  HB+         3.50    (#    294:20  Unique    2.19, 3.03 A)
 &rst
  ixpk= 294, nxpk= 20, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1002,1003,
 &end
#
#   69 LYS  HN           69 LYS  HD+         3.50    (#    295:20  Unique    3.09, 3.88 A)
 &rst
  ixpk= 295, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1096,1097,
 &end
#
#   69 LYS  HN           69 LYS  HB+         3.50    (#    296:20  Unique    2.42, 3.05 A)
 &rst
  ixpk= 296, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1090,1091,
 &end
#
#   56 LEU  HN           56 LEU  HG          4.50    (#    297:20  Unique    2.29, 3.91 A)
 &rst
  ixpk= 297, nxpk= 20, iat= 895, 902, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 LYS  HN           69 LYS  HG-         4.50    (#    298:20  Unique    2.16, 3.13 A)
 &rst
  ixpk= 298, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1093,1094,
 &end
#
#   63 GLU  HN           64 ALA  MB          4.50    (#    299:20  Unique    4.93, 5.44 A)
 &rst
  ixpk= 299, nxpk= 20, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1017,1018,1019,
 &end
#
#   65 LEU  HN           64 ALA  MB          2.80    (#    300:20  Unique    2.66, 3.49 A)
 &rst
  ixpk= 300, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1017,1018,1019,
 &end
#
#    0 AMB  20-2:301     60 ALA  MB          4.50    (#    301:20  Single Ambig)
 &rst
  ixpk= 301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 942, 998,
 igr2= 960, 961, 962,
 &end
#
#   59 ASN  HD2+         60 ALA  MB          4.50    (#    302:20  Unique    3.53, 5.64 A)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 951, 952,
 igr2= 960, 961, 962,
 &end
#
#    0 AMB  20-2:303     28 LEU  HB-         4.50    (#    303:20  Single Ambig)
 &rst
  ixpk= 303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 447, 493, 494,
 igr2= 432, 433,
 &end
#
#   48 ALA  HN           47 ILE  HB          4.50    (#    304:20  Unique    2.48, 2.60 A)
 &rst
  ixpk= 304, nxpk= 20, iat= 771, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HN           56 LEU  HB+         3.50    (#    305:20  Unique    2.28, 2.96 A)
 &rst
  ixpk= 305, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 899, 900,
 &end
#
#   56 LEU  HN           56 LEU  HB-         3.50    (#    306:20  Unique    2.28, 2.96 A)
 &rst
  ixpk= 306, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 899, 900,
 &end
#
#   10 ILE  HN           10 ILE  HB          3.50    (#    307:20  Unique    2.73, 2.89 A)
 &rst
  ixpk= 307, nxpk= 20, iat= 136, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 THR  HN           70 ILE  HB          3.50    (#    308:20  Unique    2.50, 2.55 A)
 &rst
  ixpk= 308, nxpk= 20, iat=1127,1112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 ILE  HN           70 ILE  HB          3.50    (#    309:20  Unique    2.42, 2.46 A)
 &rst
  ixpk= 309, nxpk= 20, iat=1108,1112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ALA  HN           63 GLU  HB-         4.50    (#    312:20  Unique    2.72, 3.30 A)
 &rst
  ixpk= 312, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1002,1003,
 &end
#
#   64 ALA  HN           63 GLU  HB+         4.50    (#    313:20  Unique    2.72, 3.30 A)
 &rst
  ixpk= 313, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1002,1003,
 &end
#
#   10 ILE  HN            0 AMB  20-1:314    3.50    (#    314:20  Single Ambig)
 &rst
  ixpk= 314, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 126, 127, 126, 127,
 &end
#
#    0 AMB  20-2:315      0 AMB  20-1:315    3.50    (#    315:20  Double Ambig)
 &rst
  ixpk= 315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 131, 132, 131, 132,
 igr2= 126, 127, 126, 127,
 &end
#
#    2 GLN  HE2+          2 GLN  HG+         3.50    (#    316:20  Unique    2.23, 3.44 A)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  26,  27,
 igr2=  21,  22,
 &end
#
#   27 MET  HN            0 AMB  20-1:317    3.50    (#    317:20  Single Ambig)
 &rst
  ixpk= 317, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 415, 416, 415, 416,
 &end
#
#   63 GLU  HN           63 GLU  HG+         3.50    (#    318:20  Unique    2.23, 2.98 A)
 &rst
  ixpk= 318, nxpk= 20, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1005,1006,
 &end
#
#   63 GLU  HN           63 GLU  HG-         3.50    (#    319:20  Unique    2.23, 2.98 A)
 &rst
  ixpk= 319, nxpk= 20, iat= 998,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1005,1006,
 &end
#
#   66 GLN  HE2-         66 GLN  HG-         4.50    (#    320:20  Unique    2.19, 3.20 A)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2=1049,1050,
 &end
#
#    5 GLN  HE2+          5 GLN  HG+         3.50    (#    321:20  Unique    2.34, 3.38 A)
 &rst
  ixpk= 321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  72,  73,
 igr2=  67,  68,
 &end
#
#   27 MET  HN            0 AMB  20-1:322    3.50    (#    322:20  Single Ambig)
 &rst
  ixpk= 322, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 418, 419, 418, 419,
 &end
#
#    0 AMB  20-2:325      8 ASN  HB-         4.50    (#    325:20  Single Ambig)
 &rst
  ixpk= 325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 114, 115,1276,1284,
 igr2= 109, 110,
 &end
#
#   59 ASN  HN            0 AMB  20-1:327    3.50    (#    327:20  Single Ambig)
 &rst
  ixpk= 327, nxpk= 20, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 946, 947, 946, 947,
 &end
#
#    0 AMB  20-2:328      0 AMB  20-1:328    3.50    (#    328:20  Double Ambig)
 &rst
  ixpk= 328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 951, 952, 951, 952,
 igr2= 946, 947, 946, 947,
 &end
#
#    0 AMB  20-2:329     80 PHE  HB-         4.50    (#    329:20  Single Ambig)
 &rst
  ixpk= 329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1276,1284, 114, 115,
 igr2=1272,1273,
 &end
#
#   35 PHE  HN           35 PHE  HB-         4.50    (#    330:20  Unique    2.03, 2.53 A)
 &rst
  ixpk= 330, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 543, 544,
 &end
#
#   77 LYS  HN           15 ASN  HB-         4.50    (#    331:20  Unique    3.04, 3.86 A)
 &rst
  ixpk= 331, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#   15 ASN  HD2+         15 ASN  HB-         4.50    (#    332:20  Unique    2.21, 3.26 A)
 &rst
  ixpk= 332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 236, 237,
 igr2= 231, 232,
 &end
#
#   43 ASN  HD2+         43 ASN  HB-         3.50    (#    333:20  Unique    2.19, 3.32 A)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 694, 695,
 igr2= 689, 690,
 &end
#
#    5 GLN  HN            5 GLN  HG+         4.50    (#    334:20  Unique    3.30, 4.09 A)
 &rst
  ixpk= 334, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#   23 MET  HN           23 MET  HG+         4.50    (#    335:20  Unique    2.23, 3.70 A)
 &rst
  ixpk= 335, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 354, 355,
 &end
#
#   24 MET  HN           24 MET  HG-         3.50    (#    336:20  Unique    2.18, 2.95 A)
 &rst
  ixpk= 336, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 371, 372,
 &end
#
#   24 MET  HN           24 MET  HG+         3.50    (#    337:20  Unique    2.18, 2.95 A)
 &rst
  ixpk= 337, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 371, 372,
 &end
#
#   68 PHE  HN           68 PHE  HB-         3.50    (#    338:20  Unique    2.37, 2.49 A)
 &rst
  ixpk= 338, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1070,1071,
 &end
#
#   30 ASN  HN           30 ASN  HB+         3.50    (#    339:20  Unique    2.18, 2.59 A)
 &rst
  ixpk= 339, nxpk= 20, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 471, 472,
 &end
#
#    5 GLN  HE2-          5 GLN  HG+         4.50    (#    340:20  Unique    2.34, 3.38 A)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  72,  73,
 igr2=  67,  68,
 &end
#
#   28 LEU  HN            0 AMB  20-1:341    3.50    (#    341:20  Single Ambig)
 &rst
  ixpk= 341, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 418, 419, 418, 419,
 &end
#
#   25 LEU  HN            0 AMB  20-1:342    4.50    (#    342:20  Single Ambig)
 &rst
  ixpk= 342, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 371, 372, 354, 355,
 &end
#
#   25 LEU  HN           24 MET  HG+         4.50    (#    343:20  Unique    3.96, 4.48 A)
 &rst
  ixpk= 343, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 371, 372,
 &end
#
#   21 ASN  HN           24 MET  HG+         4.50    (#    344:20  Unique    2.44, 3.21 A)
 &rst
  ixpk= 344, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 371, 372,
 &end
#
#   21 ASN  HN           24 MET  HG-         4.50    (#    345:20  Unique    2.44, 3.21 A)
 &rst
  ixpk= 345, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 371, 372,
 &end
#
#   66 GLN  HN           66 GLN  HB+         4.50    (#    346:20  Unique    2.15, 2.84 A)
 &rst
  ixpk= 346, nxpk= 20, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1046,1047,
 &end
#
#    0 AMB  20-2:347     61 ALA  HA          4.50    (#    347:20  Single Ambig)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1013, 506, 514,
 &end
#
#   32 PHE  HZ           61 ALA  HA          4.50    (#    348:20  Unique    2.76, 3.00 A)
 &rst
  ixpk= 348, nxpk= 20, iat= 510, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 PHE  HE           61 ALA  HA          4.50    (#    349:20  Unique    3.03, 3.45 A)
 &rst
  ixpk= 349, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 508, 512,
 &end
#
#   61 ALA  HN           61 ALA  HA          3.50    (#    350:20  Unique    2.85, 2.86 A)
 &rst
  ixpk= 350, nxpk= 20, iat= 966, 968, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 ASN  HD2-         15 ASN  HB-         4.50    (#    351:20  Unique    2.21, 3.26 A)
 &rst
  ixpk= 351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 236, 237,
 igr2= 231, 232,
 &end
#
#   30 ASN  HD2-         30 ASN  HB+         4.50    (#    352:20  Unique    2.24, 3.33 A)
 &rst
  ixpk= 352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 476, 477,
 igr2= 471, 472,
 &end
#
#   65 LEU  HN           61 ALA  HA          5.50    (#    353:20  Unique    3.96, 4.02 A)
 &rst
  ixpk= 353, nxpk= 20, iat=1023, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LYS  HN           61 ALA  HA          4.50    (#    354:20  Unique    3.57, 3.59 A)
 &rst
  ixpk= 354, nxpk= 20, iat= 976, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 LYS  HN            0 AMB  20-1:355    5.50    (#    355:20  Single Ambig)
 &rst
  ixpk= 355, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 572, 573, 572, 573,
 &end
#
#   66 GLN  HN           66 GLN  HG-         5.50    (#    356:20  Unique    2.78, 3.61 A)
 &rst
  ixpk= 356, nxpk= 20, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1049,1050,
 &end
#
#   21 ASN  HN           24 MET  HB+         4.50    (#    358:20  Unique    2.21, 3.16 A)
 &rst
  ixpk= 358, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 368, 369,
 &end
#
#   25 LEU  HN           24 MET  HB+         4.50    (#    360:20  Unique    2.37, 2.97 A)
 &rst
  ixpk= 360, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 368, 369,
 &end
#
#   57 GLN  HE2+         33 PRO  HB+         4.50    (#    361:20  Unique    4.17, 6.06 A)
 &rst
  ixpk= 361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 926, 927,
 igr2= 525, 526,
 &end
#
#   80 PHE  HD           62 LYS  HE+         5.50    (#    362:20  Unique    3.20, 5.87 A)
 &rst
  ixpk= 362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1276,1284,
 igr2= 989, 990,
 &end
#
#   80 PHE  HD           62 LYS  HE-         5.50    (#    363:20  Unique    3.20, 5.87 A)
 &rst
  ixpk= 363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1276,1284,
 igr2= 989, 990,
 &end
#
#   30 ASN  HD2-         30 ASN  HB-         3.50    (#    365:20  Unique    2.24, 3.33 A)
 &rst
  ixpk= 365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 476, 477,
 igr2= 471, 472,
 &end
#
#   64 ALA  HN           63 GLU  HG+         4.50    (#    367:20  Unique    2.81, 4.73 A)
 &rst
  ixpk= 367, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1005,1006,
 &end
#
#   25 LEU  HN            0 AMB  20-1:368    5.50    (#    368:20  Single Ambig)
 &rst
  ixpk= 368, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 339, 340, 339, 340,
 &end
#
#    2 GLN  HE2-          2 GLN  HG+         3.50    (#    369:20  Unique    2.23, 3.44 A)
 &rst
  ixpk= 369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  26,  27,
 igr2=  21,  22,
 &end
#
#    5 GLN  HE2-          5 GLN  HG-         5.50    (#    370:20  Unique    2.34, 3.38 A)
 &rst
  ixpk= 370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  72,  73,
 igr2=  67,  68,
 &end
#
#   28 LEU  HN            0 AMB  20-1:371    4.50    (#    371:20  Single Ambig)
 &rst
  ixpk= 371, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 415, 416, 415, 416,
 &end
#
#   59 ASN  HD2-         63 GLU  HG+         4.50    (#    372:20  Unique    3.04, 4.31 A)
 &rst
  ixpk= 372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 951, 952,
 igr2=1005,1006,
 &end
#
#   59 ASN  HD2-         63 GLU  HG-         4.50    (#    373:20  Unique    3.04, 4.31 A)
 &rst
  ixpk= 373, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 951, 952,
 igr2=1005,1006,
 &end
#
#   30 ASN  HD2+         30 ASN  HB-         4.50    (#    375:20  Unique    2.24, 3.33 A)
 &rst
  ixpk= 375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 476, 477,
 igr2= 471, 472,
 &end
#
#   12 PHE  HD           12 PHE  HB-         4.50    (#    376:20  Unique    2.36, 3.10 A)
 &rst
  ixpk= 376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 190,
 igr2= 178, 179,
 &end
#
#   30 ASN  HD2+         30 ASN  HB+         4.50    (#    377:20  Unique    2.24, 3.33 A)
 &rst
  ixpk= 377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 476, 477,
 igr2= 471, 472,
 &end
#
#    0 AMB  20-2:382      0 AMB  20-1:382    5.50    (#    382:20  Double Ambig)
 &rst
  ixpk= 382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=  72,  73, 114, 115,
 igr2=1311,1312,1311,1312,1333,1334,1333,1334,
 &end
#
#   37 GLU  HN            0 AMB  20-1:383    4.50    (#    383:20  Single Ambig)
 &rst
  ixpk= 383, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 572, 573, 572, 573,
 &end
#
#   21 ASN  HD2-         21 ASN  HB-         4.50    (#    384:20  Unique    2.24, 3.30 A)
 &rst
  ixpk= 384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 327, 328,
 igr2= 322, 323,
 &end
#
#   43 ASN  HD2-         43 ASN  HB-         4.50    (#    385:20  Unique    2.19, 3.32 A)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 694, 695,
 igr2= 689, 690,
 &end
#
#   21 ASN  HD2-         21 ASN  HB+         4.50    (#    389:20  Unique    2.24, 3.30 A)
 &rst
  ixpk= 389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 327, 328,
 igr2= 322, 323,
 &end
#
#   68 PHE  HD           68 PHE  HB+         4.50    (#    390:20  Unique    2.41, 3.08 A)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1082,
 igr2=1070,1071,
 &end
#
#   39 ARG  HE           39 ARG  HD+         4.50    (#    391:20  Unique    2.24, 2.65 A)
 &rst
  ixpk= 391, nxpk= 20, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 622, 623,
 &end
#
#   60 ALA  HN            0 AMB  20-1:392    3.50    (#    392:20  Single Ambig)
 &rst
  ixpk= 392, nxpk= 20, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 946, 947, 946, 947,
 &end
#
#   60 ALA  HN            0 AMB  20-1:393    4.50    (#    393:20  Single Ambig)
 &rst
  ixpk= 393, nxpk= 20, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 946, 947, 946, 947,
 &end
#
#   29 PHE  HN           29 PHE  HB+         4.50    (#    394:20  Unique    2.35, 3.00 A)
 &rst
  ixpk= 394, nxpk= 20, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 451, 452,
 &end
#
#   29 PHE  HD           29 PHE  HB+         4.50    (#    395:20  Unique    2.31, 3.08 A)
 &rst
  ixpk= 395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 455, 463,
 igr2= 451, 452,
 &end
#
#   44 ARG  HN            0 AMB  20-1:396    5.50    (#    396:20  Single Ambig)
 &rst
  ixpk= 396, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 689, 690, 689, 690,
 &end
#
#   24 MET  HN           24 MET  HB+         3.50    (#    398:20  Unique    2.47, 3.11 A)
 &rst
  ixpk= 398, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#    5 GLN  HN            5 GLN  HG-         4.50    (#    399:20  Unique    3.30, 4.09 A)
 &rst
  ixpk= 399, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#   43 ASN  HN           42 PRO  HB+         4.50    (#    400:20  Unique    3.10, 4.26 A)
 &rst
  ixpk= 400, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 678, 679,
 &end
#
#   23 MET  HN           23 MET  HB+         3.50    (#    401:20  Unique    2.40, 2.80 A)
 &rst
  ixpk= 401, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 351, 352,
 &end
#
#    0 AMB  20-2:402      0 AMB  20-1:402    4.50    (#    402:20  Double Ambig)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  14, 347,  45,
 igr2=  18,  19, 336, 337,  18,  19,
 &end
#
#    5 GLN  HN            5 GLN  HB+         4.50    (#    403:20  Unique    2.44, 3.31 A)
 &rst
  ixpk= 403, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  64,  65,
 &end
#
#   30 ASN  HN           30 ASN  HB-         3.50    (#    404:20  Unique    2.18, 2.59 A)
 &rst
  ixpk= 404, nxpk= 20, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 471, 472,
 &end
#
#   19 GLU  HN            0 AMB  20-1:406    4.50    (#    406:20  Single Ambig)
 &rst
  ixpk= 406, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 296, 297, 296, 297,
 &end
#
#    0 AMB  20-2:407      0 AMB  20-1:407    4.50    (#    407:20  Double Ambig)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 636, 596,
 igr2= 339, 340, 339, 340, 339, 340,
 &end
#
#   23 MET  HN            0 AMB  20-1:408    4.50    (#    408:20  Single Ambig)
 &rst
  ixpk= 408, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 339, 340, 339, 340,
 &end
#
#   38 VAL  HN           37 GLU  HB+         3.50    (#    410:20  Unique    2.40, 3.64 A)
 &rst
  ixpk= 410, nxpk= 20, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 585, 586,
 &end
#
#   18 GLU  HN           17 PRO  HB+         4.50    (#    411:20  Unique    3.11, 3.55 A)
 &rst
  ixpk= 411, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 267, 268,
 &end
#
#    4 GLU  HN            4 GLU  HB-         4.50    (#    412:20  Unique    2.24, 3.21 A)
 &rst
  ixpk= 412, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  49,  50,
 &end
#
#   19 GLU  HN           19 GLU  HB-         4.50    (#    413:20  Unique    2.40, 3.00 A)
 &rst
  ixpk= 413, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 293, 294,
 &end
#
#   50 VAL  HN           50 VAL  HB          4.50    (#    415:20  Unique    2.67, 2.72 A)
 &rst
  ixpk= 415, nxpk= 20, iat= 801, 805, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HE           44 ARG  HB-         5.50    (#    416:20  Unique    1.96, 2.87 A)
 &rst
  ixpk= 416, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 703, 704,
 &end
#
#   43 ASN  HN           42 PRO  HB-         5.50    (#    417:20  Unique    3.10, 4.26 A)
 &rst
  ixpk= 417, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 678, 679,
 &end
#
#   18 GLU  HN            0 AMB  20-1:418    2.80    (#    418:20  Single Ambig)
 &rst
  ixpk= 418, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 278, 279, 278, 279,
 &end
#
#   19 GLU  HN            0 AMB  20-1:419    3.50    (#    419:20  Single Ambig)
 &rst
  ixpk= 419, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 278, 279, 278, 279,
 &end
#
#   13 LEU  HN           13 LEU  HG          4.50    (#    420:20  Unique    4.50, 4.52 A)
 &rst
  ixpk= 420, nxpk= 20, iat= 194, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HE           44 ARG  HD+         5.50    (#    421:20  Unique    2.29, 2.80 A)
 &rst
  ixpk= 421, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   44 ARG  HE           44 ARG  HD-         5.50    (#    422:20  Unique    2.29, 2.80 A)
 &rst
  ixpk= 422, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   80 PHE  HN           80 PHE  HB+         4.50    (#    423:20  Unique    2.26, 2.97 A)
 &rst
  ixpk= 423, nxpk= 20, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1272,1273,
 &end
#
#   11 LEU  HN           50 VAL  MGX         5.50    (#    424:20  Unique    4.38, 5.47 A)
 &rst
  ixpk= 424, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   39 ARG  HN           50 VAL  MGX         4.50    (#    425:20  Unique    4.00, 5.58 A)
 &rst
  ixpk= 425, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   37 GLU  HN           36 LYS  HB-         4.50    (#    426:20  Unique    2.42, 3.14 A)
 &rst
  ixpk= 426, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 563, 564,
 &end
#
#   25 LEU  HN           25 LEU  HG          4.50    (#    427:20  Unique    2.35, 2.41 A)
 &rst
  ixpk= 427, nxpk= 20, iat= 381, 388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HD           65 LEU  MDX         5.50    (#    428:20  Unique    3.05, 5.83 A)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 455, 463,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:429     65 LEU  MDX         4.50    (#    429:20  Single Ambig)
 &rst
  ixpk= 429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 506, 514,1042,1013,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   32 PHE  HZ           65 LEU  MDX         3.50    (#    430:20  Unique    2.89, 3.86 A)
 &rst
  ixpk= 430, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:431     65 LEU  MDX         3.50    (#    431:20  Single Ambig)
 &rst
  ixpk= 431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 508, 512,1074,1082,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   31 GLN  HN           65 LEU  MDX         5.50    (#    432:20  Unique    5.04, 6.60 A)
 &rst
  ixpk= 432, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   57 GLN  HN           56 LEU  MDX         5.50    (#    438:20  Unique    4.67, 5.61 A)
 &rst
  ixpk= 438, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    8 ASN  HD2-         11 LEU  MDX         4.50    (#    439:20  Unique    4.05, 7.76 A)
 &rst
  ixpk= 439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 114, 115,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   80 PHE  HD           11 LEU  MDX         5.50    (#    440:20  Unique    2.21, 5.88 A)
 &rst
  ixpk= 440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1276,1284,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   68 PHE  HE           28 LEU  MDY         3.50    (#    441:20  Unique    2.55, 4.47 A)
 &rst
  ixpk= 441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1076,1080,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:442     28 LEU  MDY         4.50    (#    442:20  Single Ambig)
 &rst
  ixpk= 442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1074,1082, 428,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   31 GLN  HE2-         28 LEU  MDY         5.50    (#    443:20  Unique    3.32, 5.32 A)
 &rst
  ixpk= 443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 493, 494,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   57 GLN  HN           56 LEU  MDY         5.50    (#    444:20  Unique    4.67, 5.61 A)
 &rst
  ixpk= 444, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   80 PHE  HD           11 LEU  MDY         3.50    (#    445:20  Unique    2.21, 5.88 A)
 &rst
  ixpk= 445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1276,1284,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   29 PHE  HE           11 LEU  MDY         5.50    (#    446:20  Unique    2.51, 6.51 A)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 457, 461,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   68 PHE  HE           65 LEU  MDY         3.50    (#    447:20  Unique    4.15, 6.09 A)
 &rst
  ixpk= 447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1076,1080,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:448     65 LEU  MDY         2.80    (#    448:20  Single Ambig)
 &rst
  ixpk= 448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 508, 512,1074,1082,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   31 GLN  HE2-         65 LEU  MDY         3.50    (#    449:20  Unique    2.19, 3.97 A)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 493, 494,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:450     20 THR  MG2         3.50    (#    450:20  Single Ambig)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 381, 304,
 igr2= 310, 311, 312,
 &end
#
#   21 ASN  HN           20 THR  MG2         2.80    (#    451:20  Unique    2.21, 2.83 A)
 &rst
  ixpk= 451, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 310, 311, 312,
 &end
#
#   49 PHE  HE           14 THR  MG2         7.00    (#    452:20  Unique    6.84, 7.99 A)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 791, 795,
 igr2= 219, 220, 221,
 &end
#
#   12 PHE  HZ           14 THR  MG2         3.50    (#    453:20  Unique    3.10, 3.76 A)
 &rst
  ixpk= 453, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 219, 220, 221,
 &end
#
#   12 PHE  HD           14 THR  MG2         4.50    (#    454:20  Unique    3.22, 4.68 A)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 182, 190,
 igr2= 219, 220, 221,
 &end
#
#    0 AMB  20-2:455     65 LEU  MDY         4.50    (#    455:20  Single Ambig)
 &rst
  ixpk= 455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 506, 514,1042,1013,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   29 PHE  HD           25 LEU  MDX         5.50    (#    456:20  Unique    3.48, 6.81 A)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 455, 463,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HN           25 LEU  MDX         3.50    (#    457:20  Unique    3.03, 4.32 A)
 &rst
  ixpk= 457, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   28 LEU  HN           25 LEU  MDX         4.50    (#    458:20  Unique    4.86, 6.65 A)
 &rst
  ixpk= 458, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   21 ASN  HN           25 LEU  MDX         5.50    (#    459:20  Unique    4.65, 5.78 A)
 &rst
  ixpk= 459, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   35 PHE  HE           50 VAL  MGY         3.50    (#    460:20  Unique    2.24, 6.07 A)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 549, 553,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   37 GLU  HN           50 VAL  MGY         4.50    (#    461:20  Unique    3.89, 5.72 A)
 &rst
  ixpk= 461, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HD           50 VAL  MGY         3.50    (#    462:20  Unique    2.70, 4.90 A)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 455, 463,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   52 PHE  HD           50 VAL  MGY         2.80    (#    463:20  Unique    2.55, 6.66 A)
 &rst
  ixpk= 463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 840, 848,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HZ           50 VAL  MGY         3.50    (#    464:20  Unique    2.96, 5.19 A)
 &rst
  ixpk= 464, nxpk= 20, iat= 459,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   35 PHE  HD           50 VAL  MGY         4.50    (#    465:20  Unique    2.65, 6.23 A)
 &rst
  ixpk= 465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 547, 555,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:466     38 VAL  MGX         4.50    (#    466:20  Single Ambig)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 457, 461, 381,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   35 PHE  HE           38 VAL  MGX         2.80    (#    467:20  Unique    2.20, 5.55 A)
 &rst
  ixpk= 467, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 549, 553,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   35 PHE  HZ           38 VAL  MGX         3.50    (#    468:20  Unique    2.27, 4.64 A)
 &rst
  ixpk= 468, nxpk= 20, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:469     38 VAL  MGY         4.50    (#    469:20  Single Ambig)
 &rst
  ixpk= 469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 457, 461, 381,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   35 PHE  HE           38 VAL  MGY         4.50    (#    470:20  Unique    2.20, 5.55 A)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 549, 553,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   35 PHE  HZ           38 VAL  MGY         4.50    (#    471:20  Unique    2.27, 4.64 A)
 &rst
  ixpk= 471, nxpk= 20, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:472      0 AMB  20-1:472    4.50    (#    472:20  Double Ambig)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1=1155, 455, 463,
 igr2=1161,1162,1163, 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:474      0 AMB  20-1:474    3.50    (#    474:20  Double Ambig)
 &rst
  ixpk= 474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 789, 797, 184, 188,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   49 PHE  HE            0 AMB  20-1:475    3.50    (#    475:20  Single Ambig)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 791, 795,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   47 ILE  HN            0 AMB  20-1:476    5.50    (#    476:20  Single Ambig)
 &rst
  ixpk= 476, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   57 GLN  HN           54 THR  MG2         5.50    (#    477:20  Unique    5.20, 5.45 A)
 &rst
  ixpk= 477, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 872, 873, 874,
 &end
#
#   57 GLN  HE2+         54 THR  MG2         4.50    (#    478:20  Unique    3.89, 5.28 A)
 &rst
  ixpk= 478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 926, 927,
 igr2= 872, 873, 874,
 &end
#
#   57 GLN  HE2-         54 THR  MG2         4.50    (#    479:20  Unique    3.89, 5.28 A)
 &rst
  ixpk= 479, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 926, 927,
 igr2= 872, 873, 874,
 &end
#
#   29 PHE  HD           50 VAL  MGX         4.50    (#    480:20  Unique    2.70, 4.90 A)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 455, 463,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HE           50 VAL  MGX         4.50    (#    481:20  Unique    2.62, 5.09 A)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 457, 461,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HD           61 ALA  MB          4.50    (#    483:20  Unique    2.29, 5.17 A)
 &rst
  ixpk= 483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 455, 463,
 igr2= 970, 971, 972,
 &end
#
#   32 PHE  HD           61 ALA  MB          4.50    (#    484:20  Unique    2.74, 4.42 A)
 &rst
  ixpk= 484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 506, 514,
 igr2= 970, 971, 972,
 &end
#
#   32 PHE  HE           61 ALA  MB          4.50    (#    485:20  Unique    2.72, 4.50 A)
 &rst
  ixpk= 485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 508, 512,
 igr2= 970, 971, 972,
 &end
#
#   32 PHE  HZ           61 ALA  MB          5.50    (#    486:20  Unique    3.70, 4.65 A)
 &rst
  ixpk= 486, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 970, 971, 972,
 &end
#
#   61 ALA  HN           61 ALA  MB          2.80    (#    487:20  Unique    2.48, 2.89 A)
 &rst
  ixpk= 487, nxpk= 20, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 970, 971, 972,
 &end
#
#   15 ASN  HD2-         75 ALA  MB          4.50    (#    488:20  Unique    3.01, 4.42 A)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 236, 237,
 igr2=1190,1191,1192,
 &end
#
#   49 PHE  HD           10 ILE  MG2         2.80    (#    490:20  Unique    2.53, 5.28 A)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 789, 797,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:491     10 ILE  MG2         3.50    (#    491:20  Single Ambig)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 114, 115, 791, 795,
 igr2= 142, 143, 144,
 &end
#
#   66 GLN  HN           78 ILE  MD1         4.50    (#    493:20  Unique    2.83, 3.76 A)
 &rst
  ixpk= 493, nxpk= 20, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1248,1249,1250,
 &end
#
#   32 PHE  HZ           78 ILE  MD1         7.00    (#    494:20  Unique    6.43, 6.92 A)
 &rst
  ixpk= 494, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1248,1249,1250,
 &end
#
#   32 PHE  HE           78 ILE  MD1         5.50    (#    495:20  Unique    5.70, 7.69 A)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 508, 512,
 igr2=1248,1249,1250,
 &end
#
#   12 PHE  HE           47 ILE  MD1         4.50    (#    497:20  Unique    2.33, 5.77 A)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 184, 188,
 igr2= 765, 766, 767,
 &end
#
#   49 PHE  HE           47 ILE  MD1         4.50    (#    498:20  Unique    3.98, 7.28 A)
 &rst
  ixpk= 498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 791, 795,
 igr2= 765, 766, 767,
 &end
#
#   12 PHE  HZ           47 ILE  MD1         5.50    (#    499:20  Unique    2.63, 4.73 A)
 &rst
  ixpk= 499, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 765, 766, 767,
 &end
#
#   47 ILE  HN           47 ILE  MD1         3.50    (#    500:20  Unique    2.11, 3.46 A)
 &rst
  ixpk= 500, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 765, 766, 767,
 &end
#
#   28 LEU  HN           28 LEU  HB+         3.50    (#    501:20  Unique    2.35, 3.01 A)
 &rst
  ixpk= 501, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 432, 433,
 &end
#
#    8 ASN  HD2-         10 ILE  MD1         5.50    (#    502:20  Unique    2.92, 5.14 A)
 &rst
  ixpk= 502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 114, 115,
 igr2= 149, 150, 151,
 &end
#
#   65 LEU  HN           65 LEU  MDX         4.50    (#    503:20  Unique    3.99, 4.79 A)
 &rst
  ixpk= 503, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   37 GLU  HN           37 GLU  HG-         4.50    (#    504:20  Unique    3.56, 4.75 A)
 &rst
  ixpk= 504, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 588, 589,
 &end
#
#   37 GLU  HN           36 LYS  HB+         4.50    (#    505:20  Unique    2.42, 3.14 A)
 &rst
  ixpk= 505, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 563, 564,
 &end
#
#    8 ASN  HN            7 PRO  HA          3.50    (#    506:20  Unique    2.20, 2.24 A)
 &rst
  ixpk= 506, nxpk= 20, iat= 105, 101, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THR  HG1          54 THR  MG2         4.50    (#    507:20  Unique    2.27, 2.97 A)
 &rst
  ixpk= 507, nxpk= 20, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 872, 873, 874,
 &end
#
#   49 PHE  HA           10 ILE  MG2         4.50    (#    508:20  Unique    4.49, 5.40 A)
 &rst
  ixpk= 508, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 142, 143, 144,
 &end
#
#   47 ILE  HA           47 ILE  HB          4.50    (#    509:20  Unique    2.30, 2.36 A)
 &rst
  ixpk= 509, nxpk= 20, iat= 754, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:510      0 AMB  20-1:510    5.50    (#    510:20  Double Ambig)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1088,1129,
 igr2=1090,1091,1118,1119,
 &end
#
#   39 ARG  HA           39 ARG  HG-         4.50    (#    512:20  Unique    2.44, 2.99 A)
 &rst
  ixpk= 512, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 619, 620,
 &end
#
#   47 ILE  HA           16 LEU  HG          4.50    (#    513:20  Unique    2.74, 2.86 A)
 &rst
  ixpk= 513, nxpk= 20, iat= 754, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LEU  HA           13 LEU  MDY         3.50    (#    514:20  Unique    2.31, 3.93 A)
 &rst
  ixpk= 514, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:515     40 LEU  MDX         5.50    (#    515:20  Single Ambig)
 &rst
  ixpk= 515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 614, 598,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HA           40 LEU  MDX         3.50    (#    516:20  Unique    2.25, 3.80 A)
 &rst
  ixpk= 516, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   13 LEU  HA           13 LEU  MDX         2.80    (#    517:20  Unique    2.31, 3.93 A)
 &rst
  ixpk= 517, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   78 ILE  HA           13 LEU  MDX         3.50    (#    518:20  Unique    2.62, 4.78 A)
 &rst
  ixpk= 518, nxpk= 20, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   77 LYS  HA            0 AMB  20-1:519    2.80    (#    519:20  Single Ambig)
 &rst
  ixpk= 519, nxpk= 20, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1220,1221,1220,1221,
 &end
#
#    0 AMB  20-2:520     11 LEU  MDX         4.50    (#    520:20  Single Ambig)
 &rst
  ixpk= 520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 157, 938,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:521      0 AMB  20-1:521    3.50    (#    521:20  Double Ambig)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1188,1129,
 igr2=1093,1094,1093,1094,
 &end
#
#    0 AMB  20-2:522     11 LEU  MDY         2.80    (#    522:20  Single Ambig)
 &rst
  ixpk= 522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 157, 938,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   40 LEU  HA           20 THR  MG2         5.50    (#    525:20  Unique    6.41, 7.65 A)
 &rst
  ixpk= 525, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 310, 311, 312,
 &end
#
#   47 ILE  HA           14 THR  MG2         4.50    (#    526:20  Unique    3.21, 4.50 A)
 &rst
  ixpk= 526, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 219, 220, 221,
 &end
#
#   13 LEU  HA           14 THR  MG2         4.50    (#    527:20  Unique    3.65, 4.65 A)
 &rst
  ixpk= 527, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 219, 220, 221,
 &end
#
#   14 THR  HA           14 THR  MG2         2.80    (#    528:20  Unique    2.37, 3.09 A)
 &rst
  ixpk= 528, nxpk= 20, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 219, 220, 221,
 &end
#
#   53 THR  HG1          53 THR  MG2         3.50    (#    530:20  Unique    2.33, 3.65 A)
 &rst
  ixpk= 530, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 858, 859, 860,
 &end
#
#   53 THR  HB           53 THR  MG2         2.80    (#    531:20  Unique    2.38, 2.63 A)
 &rst
  ixpk= 531, nxpk= 20, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 858, 859, 860,
 &end
#
#   34 GLY  HA-          53 THR  MG2         5.50    (#    532:20  Unique    3.62, 4.57 A)
 &rst
  ixpk= 532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 534, 535,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  20-2:533     40 LEU  MDY         3.50    (#    533:20  Single Ambig)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 320, 725,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:534     40 LEU  MDY         4.50    (#    534:20  Single Ambig)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 614, 598,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HA           40 LEU  MDY         2.80    (#    535:20  Unique    2.25, 3.80 A)
 &rst
  ixpk= 535, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:536     50 VAL  MGY         4.50    (#    536:20  Single Ambig)
 &rst
  ixpk= 536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 819, 541, 834,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  HA           50 VAL  MGY         2.80    (#    537:20  Unique    2.52, 3.20 A)
 &rst
  ixpk= 537, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:540     38 VAL  MGY         2.80    (#    540:20  Single Ambig)
 &rst
  ixpk= 540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 598, 614,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   40 LEU  HA            0 AMB  20-1:541    3.50    (#    541:20  Single Ambig)
 &rst
  ixpk= 541, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   41 VAL  HA            0 AMB  20-1:542    2.80    (#    542:20  Single Ambig)
 &rst
  ixpk= 542, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   54 THR  HA           54 THR  MG2         2.80    (#    543:20  Unique    2.40, 2.92 A)
 &rst
  ixpk= 543, nxpk= 20, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 872, 873, 874,
 &end
#
#   54 THR  HB           54 THR  MG2         2.80    (#    545:20  Unique    2.42, 2.64 A)
 &rst
  ixpk= 545, nxpk= 20, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 872, 873, 874,
 &end
#
#    0 AMB  20-2:547     50 VAL  MGX         5.50    (#    547:20  Single Ambig)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 819, 196,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  HA           50 VAL  MGX         2.80    (#    548:20  Unique    2.52, 3.20 A)
 &rst
  ixpk= 548, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:550     78 ILE  MG2         4.50    (#    550:20  Single Ambig)
 &rst
  ixpk= 550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 196, 157,
 igr2=1241,1242,1243,
 &end
#
#   78 ILE  HA           78 ILE  MG2         3.50    (#    551:20  Unique    2.51, 3.16 A)
 &rst
  ixpk= 551, nxpk= 20, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1241,1242,1243,
 &end
#
#   11 LEU  HA           81 ALA  MB          4.50    (#    552:20  Unique    3.04, 4.04 A)
 &rst
  ixpk= 552, nxpk= 20, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:553     81 ALA  MB          5.50    (#    553:20  Single Ambig)
 &rst
  ixpk= 553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138,1270,
 igr2=1292,1293,1294,
 &end
#
#   75 ALA  HA           75 ALA  MB          2.80    (#    555:20  Unique    2.43, 2.67 A)
 &rst
  ixpk= 555, nxpk= 20, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1190,1191,1192,
 &end
#
#   47 ILE  HA           47 ILE  MG2         3.50    (#    559:20  Unique    2.38, 3.22 A)
 &rst
  ixpk= 559, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 758, 759, 760,
 &end
#
#   14 THR  HA           47 ILE  MG2         3.50    (#    560:20  Unique    2.05, 3.37 A)
 &rst
  ixpk= 560, nxpk= 20, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 758, 759, 760,
 &end
#
#    0 AMB  20-2:563     70 ILE  MG2         5.50    (#    563:20  Single Ambig)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1131,1129,1088,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:564     78 ILE  MD1         4.50    (#    564:20  Single Ambig)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1237,1215,
 igr2=1248,1249,1250,
 &end
#
#   10 ILE  HA           10 ILE  MD1         5.50    (#    566:20  Unique    2.50, 4.66 A)
 &rst
  ixpk= 566, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  20-2:569     16 LEU  HG          4.50    (#    569:20  Single Ambig)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 243, 229,
 &end
#
#   25 LEU  HA           25 LEU  HG          4.50    (#    570:20  Unique    3.25, 3.32 A)
 &rst
  ixpk= 570, nxpk= 20, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 GLU  HA           40 LEU  MDX         4.50    (#    571:20  Unique    2.67, 4.01 A)
 &rst
  ixpk= 571, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   25 LEU  HA           28 LEU  MDY         3.50    (#    573:20  Unique    2.60, 4.78 A)
 &rst
  ixpk= 573, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  HA           28 LEU  MDY         3.50    (#    574:20  Unique    2.14, 3.82 A)
 &rst
  ixpk= 574, nxpk= 20, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   56 LEU  HA           56 LEU  MDY         2.80    (#    575:20  Unique    2.20, 3.64 A)
 &rst
  ixpk= 575, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   58 SER  HB-          11 LEU  MDY         4.50    (#    576:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 935, 936,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   76 MET  HA           16 LEU  MDX         3.50    (#    577:20  Unique    2.61, 5.14 A)
 &rst
  ixpk= 577, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   58 SER  HB+          11 LEU  MDY         4.50    (#    578:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 578, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 935, 936,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:579      0 AMB  20-1:579    5.50    (#    579:20  Double Ambig)
 &rst
  ixpk= 579, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 978, 261, 262,
 igr2= 164, 165, 166, 168, 169, 170, 250, 251, 252, 254,
       255, 256,
 &end
#
#   16 LEU  HA           16 LEU  MDX         3.50    (#    580:20  Unique    2.36, 4.00 A)
 &rst
  ixpk= 580, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   17 PRO  HD+          16 LEU  MDX         4.50    (#    581:20  Unique    3.67, 5.49 A)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 261, 262,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   28 LEU  HA           28 LEU  MDX         3.50    (#    582:20  Unique    2.14, 3.82 A)
 &rst
  ixpk= 582, nxpk= 20, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   25 LEU  HA           28 LEU  MDX         4.50    (#    583:20  Unique    2.60, 4.78 A)
 &rst
  ixpk= 583, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:584     14 THR  MG2         4.50    (#    584:20  Single Ambig)
 &rst
  ixpk= 584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  16,1258, 229,
 igr2= 219, 220, 221,
 &end
#
#   14 THR  HB           14 THR  MG2         2.80    (#    585:20  Unique    2.37, 2.66 A)
 &rst
  ixpk= 585, nxpk= 20, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 219, 220, 221,
 &end
#
#   65 LEU  HA           65 LEU  MDY         3.50    (#    586:20  Unique    2.16, 3.80 A)
 &rst
  ixpk= 586, nxpk= 20, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   25 LEU  HA           25 LEU  MDX         2.80    (#    587:20  Unique    2.20, 3.68 A)
 &rst
  ixpk= 587, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#    0 AMB  20-2:588     25 LEU  MDX         4.50    (#    588:20  Single Ambig)
 &rst
  ixpk= 588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 308, 366,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   48 ALA  HA           40 LEU  MDY         3.50    (#    589:20  Unique    3.22, 5.50 A)
 &rst
  ixpk= 589, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   22 GLU  HA           40 LEU  MDY         4.50    (#    590:20  Unique    2.67, 4.01 A)
 &rst
  ixpk= 590, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   62 LYS  HA           78 ILE  MG2         4.50    (#    591:20  Unique    2.17, 3.43 A)
 &rst
  ixpk= 591, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1241,1242,1243,
 &end
#
#   14 THR  HB           47 ILE  MG2         4.50    (#    592:20  Unique    3.07, 4.27 A)
 &rst
  ixpk= 592, nxpk= 20, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 758, 759, 760,
 &end
#
#   66 GLN  HA           78 ILE  MD1         4.50    (#    593:20  Unique    2.68, 3.69 A)
 &rst
  ixpk= 593, nxpk= 20, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1248,1249,1250,
 &end
#
#   62 LYS  HA           78 ILE  MD1         3.50    (#    594:20  Unique    2.23, 2.84 A)
 &rst
  ixpk= 594, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1248,1249,1250,
 &end
#
#   65 LEU  HA           65 LEU  MDX         3.50    (#    595:20  Unique    2.16, 3.80 A)
 &rst
  ixpk= 595, nxpk= 20, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   29 PHE  HA           65 LEU  MDX         3.50    (#    596:20  Unique    3.12, 4.92 A)
 &rst
  ixpk= 596, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   28 LEU  HA           65 LEU  MDX         4.50    (#    597:20  Unique    4.35, 5.52 A)
 &rst
  ixpk= 597, nxpk= 20, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:598      0 AMB  20-1:598    3.50    (#    598:20  Double Ambig)
 &rst
  ixpk= 598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 138, 868,
 igr2= 126, 127, 126, 127, 126, 127,
 &end
#
#    5 GLN  HA            5 GLN  HG-         4.50    (#    604:20  Unique    2.38, 3.42 A)
 &rst
  ixpk= 604, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#    6 PRO  HA            6 PRO  HB+         2.80    (#    605:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 605, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  84,  85,
 &end
#
#    5 GLN  HA            5 GLN  HB+         4.50    (#    606:20  Unique    2.54, 2.82 A)
 &rst
  ixpk= 606, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  64,  65,
 &end
#
#   46 ASP  HA           46 ASP  HB-         3.50    (#    607:20  Unique    2.31, 2.49 A)
 &rst
  ixpk= 607, nxpk= 20, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 744, 745,
 &end
#
#    5 GLN  HA            5 GLN  HG+         4.50    (#    608:20  Unique    2.38, 3.42 A)
 &rst
  ixpk= 608, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#    6 PRO  HA            6 PRO  HB-         3.50    (#    609:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 609, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  84,  85,
 &end
#
#    0 AMB  20-2:610     69 LYS  HD-         3.50    (#    610:20  Single Ambig)
 &rst
  ixpk= 610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1088,1188,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:611      0 AMB  20-1:611    3.50    (#    611:20  Double Ambig)
 &rst
  ixpk= 611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1088,1188,
 igr2=1096,1097,1096,1097,
 &end
#
#    0 AMB  20-2:612      0 AMB  20-1:612    3.50    (#    612:20  Double Ambig)
 &rst
  ixpk= 612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1131,1129,  87,
 igr2=1145,1146,1145,1146,1145,1146,  95,  96,
 &end
#
#    0 AMB  20-2:613      0 AMB  20-1:613    4.50    (#    613:20  Double Ambig)
 &rst
  ixpk= 613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1=1131, 638,  87,
 igr2= 264, 265, 264, 265, 643,  95,  96,
 &end
#
#    6 PRO  HA            6 PRO  HG+         4.50    (#    614:20  Unique    2.74, 3.34 A)
 &rst
  ixpk= 614, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  81,  82,
 &end
#
#    6 PRO  HA            6 PRO  HG-         4.50    (#    615:20  Unique    2.74, 3.34 A)
 &rst
  ixpk= 615, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  81,  82,
 &end
#
#   69 LYS  HA           69 LYS  HG-         3.50    (#    616:20  Unique    3.23, 3.52 A)
 &rst
  ixpk= 616, nxpk= 20, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1093,1094,
 &end
#
#   40 LEU  HA           40 LEU  HB-         4.50    (#    617:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 617, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   77 LYS  HA           77 LYS  HB+         3.50    (#    619:20  Unique    2.40, 2.75 A)
 &rst
  ixpk= 619, nxpk= 20, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1217,1218,
 &end
#
#   77 LYS  HA           77 LYS  HB-         3.50    (#    620:20  Unique    2.40, 2.75 A)
 &rst
  ixpk= 620, nxpk= 20, iat=1215,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1217,1218,
 &end
#
#   39 ARG  HA           39 ARG  HG+         4.50    (#    625:20  Unique    2.44, 2.99 A)
 &rst
  ixpk= 625, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 619, 620,
 &end
#
#   65 LEU  HA           64 ALA  MB          4.50    (#    628:20  Unique    4.44, 4.93 A)
 &rst
  ixpk= 628, nxpk= 20, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1017,1018,1019,
 &end
#
#    2 GLN  HA            2 GLN  HG+         3.50    (#    629:20  Unique    2.41, 3.20 A)
 &rst
  ixpk= 629, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  21,  22,
 &end
#
#   33 PRO  HA           33 PRO  HB+         3.50    (#    630:20  Unique    2.27, 2.58 A)
 &rst
  ixpk= 630, nxpk= 20, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 525, 526,
 &end
#
#   79 THR  HA           62 LYS  HE+         4.50    (#    631:20  Unique    2.70, 4.31 A)
 &rst
  ixpk= 631, nxpk= 20, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 989, 990,
 &end
#
#   79 THR  HA           62 LYS  HE-         4.50    (#    632:20  Unique    2.70, 4.31 A)
 &rst
  ixpk= 632, nxpk= 20, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 989, 990,
 &end
#
#   15 ASN  HA           15 ASN  HB-         3.50    (#    633:20  Unique    2.51, 2.78 A)
 &rst
  ixpk= 633, nxpk= 20, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 231, 232,
 &end
#
#    4 GLU  HA            4 GLU  HG+         3.50    (#    634:20  Unique    2.40, 3.27 A)
 &rst
  ixpk= 634, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  52,  53,
 &end
#
#    4 GLU  HA            4 GLU  HG-         3.50    (#    635:20  Unique    2.40, 3.27 A)
 &rst
  ixpk= 635, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  52,  53,
 &end
#
#   33 PRO  HA           33 PRO  HG+         4.50    (#    636:20  Unique    2.84, 3.78 A)
 &rst
  ixpk= 636, nxpk= 20, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 522, 523,
 &end
#
#   33 PRO  HA           33 PRO  HB-         3.50    (#    637:20  Unique    2.27, 2.58 A)
 &rst
  ixpk= 637, nxpk= 20, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 525, 526,
 &end
#
#    4 GLU  HA            4 GLU  HB+         3.50    (#    638:20  Unique    2.37, 2.66 A)
 &rst
  ixpk= 638, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  49,  50,
 &end
#
#    4 GLU  HA            4 GLU  HB-         3.50    (#    639:20  Unique    2.37, 2.66 A)
 &rst
  ixpk= 639, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  49,  50,
 &end
#
#    2 GLN  HA            2 GLN  HB+         3.50    (#    640:20  Unique    2.41, 2.72 A)
 &rst
  ixpk= 640, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  18,  19,
 &end
#
#    2 GLN  HA            2 GLN  HB-         3.50    (#    641:20  Unique    2.41, 2.72 A)
 &rst
  ixpk= 641, nxpk= 20, iat=  16,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  18,  19,
 &end
#
#   33 PRO  HA           33 PRO  HG-         5.50    (#    642:20  Unique    2.84, 3.78 A)
 &rst
  ixpk= 642, nxpk= 20, iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 522, 523,
 &end
#
#   36 LYS  HA           36 LYS  HB+         3.50    (#    649:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 649, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 563, 564,
 &end
#
#   36 LYS  HA           36 LYS  HB-         3.50    (#    650:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 650, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 563, 564,
 &end
#
#   17 PRO  HA           17 PRO  HB-         3.50    (#    651:20  Unique    2.31, 2.54 A)
 &rst
  ixpk= 651, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 267, 268,
 &end
#
#   70 ILE  HA           70 ILE  HG1+        4.50    (#    652:20  Unique    2.71, 2.85 A)
 &rst
  ixpk= 652, nxpk= 20, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1118,1119,
 &end
#
#   53 THR  HA           36 LYS  HD+         3.50    (#    653:20  Unique    2.21, 3.09 A)
 &rst
  ixpk= 653, nxpk= 20, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 569, 570,
 &end
#
#   53 THR  HA           36 LYS  HD-         4.50    (#    654:20  Unique    2.21, 3.09 A)
 &rst
  ixpk= 654, nxpk= 20, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 569, 570,
 &end
#
#    0 AMB  20-2:659      0 AMB  20-1:659    3.50    (#    659:20  Double Ambig)
 &rst
  ixpk= 659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1300,1322,
 igr2=1305,1306,1327,1328,1327,1328,
 &end
#
#   14 THR  HB            0 AMB  20-1:660    4.50    (#    660:20  Single Ambig)
 &rst
  ixpk= 660, nxpk= 20, iat= 217,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1220,1221,1220,1221,
 &end
#
#   56 LEU  HA           56 LEU  MDX         3.50    (#    662:20  Unique    2.20, 3.64 A)
 &rst
  ixpk= 662, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:663     36 LYS  HG-         3.50    (#    663:20  Single Ambig)
 &rst
  ixpk= 663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 561, 854,
 igr2= 566, 567,
 &end
#
#    0 AMB  20-2:664      0 AMB  20-1:664    3.50    (#    664:20  Double Ambig)
 &rst
  ixpk= 664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 561, 854,
 igr2= 566, 567, 566, 567,
 &end
#
#   25 LEU  HA           20 THR  MG2         5.50    (#    666:20  Unique    4.96, 5.31 A)
 &rst
  ixpk= 666, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 310, 311, 312,
 &end
#
#   20 THR  HB           20 THR  MG2         2.80    (#    667:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 667, nxpk= 20, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 310, 311, 312,
 &end
#
#   20 THR  HA           20 THR  MG2         3.50    (#    668:20  Unique    2.42, 3.09 A)
 &rst
  ixpk= 668, nxpk= 20, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 310, 311, 312,
 &end
#
#   53 THR  HA           53 THR  MG2         2.80    (#    670:20  Unique    2.66, 3.32 A)
 &rst
  ixpk= 670, nxpk= 20, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 858, 859, 860,
 &end
#
#   34 GLY  HA+          53 THR  MG2         4.50    (#    671:20  Unique    3.62, 4.57 A)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 534, 535,
 igr2= 858, 859, 860,
 &end
#
#    3 THR  HB            3 THR  MG2         2.80    (#    672:20  Unique    2.40, 2.66 A)
 &rst
  ixpk= 672, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  37,  38,  39,
 &end
#
#   26 SER  HB-          38 VAL  MGX         3.50    (#    673:20  Unique    2.88, 5.87 A)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 404, 405,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   26 SER  HA           38 VAL  MGX         2.80    (#    674:20  Unique    2.48, 4.44 A)
 &rst
  ixpk= 674, nxpk= 20, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:675     38 VAL  MGY         4.50    (#    675:20  Single Ambig)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 383, 349,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   26 SER  HB-          38 VAL  MGY         4.50    (#    676:20  Unique    2.88, 5.87 A)
 &rst
  ixpk= 676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 404, 405,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   22 GLU  HA           38 VAL  MGY         3.50    (#    677:20  Unique    2.41, 4.37 A)
 &rst
  ixpk= 677, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:678     73 THR  MG2         2.80    (#    678:20  Single Ambig)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1157,1159,
 igr2=1161,1162,1163,
 &end
#
#    0 AMB  20-2:679     54 THR  MG2         4.50    (#    679:20  Single Ambig)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 854, 121,
 igr2= 872, 873, 874,
 &end
#
#   42 PRO  HD+          41 VAL  MGX         3.50    (#    680:20  Unique    2.28, 4.53 A)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 672, 673,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   42 PRO  HD-          41 VAL  MGX         4.50    (#    681:20  Unique    2.28, 4.53 A)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 672, 673,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   60 ALA  HA           64 ALA  MB          4.50    (#    682:20  Unique    4.82, 5.69 A)
 &rst
  ixpk= 682, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1017,1018,1019,
 &end
#
#   64 ALA  HA           64 ALA  MB          2.80    (#    683:20  Unique    2.45, 2.66 A)
 &rst
  ixpk= 683, nxpk= 20, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1017,1018,1019,
 &end
#
#    0 AMB  20-2:684      0 AMB  20-1:684    2.80    (#    684:20  Double Ambig)
 &rst
  ixpk= 684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1290,   6,
 igr2=1292,1293,1294,   8,   9,  10,
 &end
#
#   76 MET  HA           75 ALA  MB          5.50    (#    685:20  Unique    5.12, 5.55 A)
 &rst
  ixpk= 685, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1190,1191,1192,
 &end
#
#   68 PHE  HA           75 ALA  MB          5.50    (#    686:20  Unique    5.13, 6.00 A)
 &rst
  ixpk= 686, nxpk= 20, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1190,1191,1192,
 &end
#
#   15 ASN  HB+          75 ALA  MB          4.50    (#    687:20  Unique    4.81, 6.42 A)
 &rst
  ixpk= 687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 231, 232,
 igr2=1190,1191,1192,
 &end
#
#   60 ALA  HA           60 ALA  MB          2.80    (#    688:20  Unique    2.43, 2.65 A)
 &rst
  ixpk= 688, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 960, 961, 962,
 &end
#
#   70 ILE  HA           70 ILE  MG2         3.50    (#    689:20  Unique    2.54, 3.16 A)
 &rst
  ixpk= 689, nxpk= 20, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:690     70 ILE  MD1         4.50    (#    690:20  Single Ambig)
 &rst
  ixpk= 690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1110, 306,
 igr2=1121,1122,1123,
 &end
#
#    0 AMB  20-2:691      0 AMB  20-1:691    4.50    (#    691:20  Double Ambig)
 &rst
  ixpk= 691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 383,1198,
 igr2= 432, 433,1121,1122,1123,
 &end
#
#   28 LEU  HA           28 LEU  HB+         3.50    (#    692:20  Unique    2.56, 2.81 A)
 &rst
  ixpk= 692, nxpk= 20, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 432, 433,
 &end
#
#    0 AMB  20-2:700     79 THR  MG2         2.80    (#    700:20  Single Ambig)
 &rst
  ixpk= 700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  47,1258,  16,
 igr2=1260,1261,1262,
 &end
#
#    3 THR  HA            3 THR  MG2         2.80    (#    701:20  Unique    2.39, 3.02 A)
 &rst
  ixpk= 701, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=  37,  38,  39,
 &end
#
#   37 GLU  HA           37 GLU  HG+         4.50    (#    703:20  Unique    2.23, 2.90 A)
 &rst
  ixpk= 703, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 588, 589,
 &end
#
#   37 GLU  HA           37 GLU  HG-         4.50    (#    704:20  Unique    2.23, 2.90 A)
 &rst
  ixpk= 704, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 588, 589,
 &end
#
#   83 LYS  HA            0 AMB  20-1:705    2.80    (#    705:20  Single Ambig)
 &rst
  ixpk= 705, nxpk= 20, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1324,1325,1324,1325,
 &end
#
#    0 AMB  20-2:706      0 AMB  20-1:706    5.50    (#    706:20  Double Ambig)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1198,  35,
 igr2=1217,1218,1302,1303,1302,1303,
 &end
#
#   82 LYS  HA            0 AMB  20-1:707    2.80    (#    707:20  Single Ambig)
 &rst
  ixpk= 707, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1302,1303,1302,1303,
 &end
#
#   42 PRO  HA           42 PRO  HB-         2.80    (#    708:20  Unique    2.31, 2.56 A)
 &rst
  ixpk= 708, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 678, 679,
 &end
#
#   42 PRO  HD+          42 PRO  HB-         4.50    (#    709:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 672, 673,
 igr2= 678, 679,
 &end
#
#   37 GLU  HA           37 GLU  HB-         3.50    (#    710:20  Unique    2.52, 2.83 A)
 &rst
  ixpk= 710, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 585, 586,
 &end
#
#   63 GLU  HA           63 GLU  HB+         3.50    (#    713:20  Unique    2.23, 2.77 A)
 &rst
  ixpk= 713, nxpk= 20, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1002,1003,
 &end
#
#   70 ILE  HA           70 ILE  HG1-        3.50    (#    714:20  Unique    2.71, 2.85 A)
 &rst
  ixpk= 714, nxpk= 20, iat=1110,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1118,1119,
 &end
#
#    0 AMB  20-2:715      0 AMB  20-1:715    4.50    (#    715:20  Double Ambig)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1300,1322,1061,1062,
 igr2=1308,1309,1308,1309,1330,1331,1330,1331,1096,1097,
      
 &end
#
#   31 GLN  HA           31 GLN  HB-         4.50    (#    716:20  Unique    2.36, 2.72 A)
 &rst
  ixpk= 716, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 485, 486,
 &end
#
#   55 GLU  HA            0 AMB  20-1:717    3.50    (#    717:20  Single Ambig)
 &rst
  ixpk= 717, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 884, 885, 884, 885,
 &end
#
#   19 GLU  HA           19 GLU  HB-         3.50    (#    718:20  Unique    2.42, 2.72 A)
 &rst
  ixpk= 718, nxpk= 20, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 293, 294,
 &end
#
#   72 PRO  HA            0 AMB  20-1:719    3.50    (#    719:20  Single Ambig)
 &rst
  ixpk= 719, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1145,1146,1145,1146,
 &end
#
#   56 LEU  HA            7 PRO  HG+         5.50    (#    720:20  Unique    4.90, 5.58 A)
 &rst
  ixpk= 720, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  95,  96,
 &end
#
#   28 LEU  HA           28 LEU  HB-         3.50    (#    722:20  Unique    2.56, 2.81 A)
 &rst
  ixpk= 722, nxpk= 20, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 432, 433,
 &end
#
#   56 LEU  HA           56 LEU  HB+         2.80    (#    723:20  Unique    2.41, 2.82 A)
 &rst
  ixpk= 723, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 899, 900,
 &end
#
#   56 LEU  HA           56 LEU  HB-         2.80    (#    724:20  Unique    2.41, 2.82 A)
 &rst
  ixpk= 724, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 899, 900,
 &end
#
#   70 ILE  HA           70 ILE  HB          4.50    (#    725:20  Unique    3.04, 3.05 A)
 &rst
  ixpk= 725, nxpk= 20, iat=1110,1112, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 MET  HA           76 MET  HB+         3.50    (#    727:20  Unique    2.53, 2.80 A)
 &rst
  ixpk= 727, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1200,1201,
 &end
#
#    0 AMB  20-2:728      0 AMB  20-1:728    4.50    (#    728:20  Double Ambig)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
 igr1= 217, 882, 897,  35,
 igr2=  21,  22, 126, 127, 126, 127, 921, 922, 921, 922,
        21,  22, 921, 922,
 &end
#
#   24 MET  HA           24 MET  HB+         3.50    (#    729:20  Unique    2.43, 2.77 A)
 &rst
  ixpk= 729, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#    6 PRO  HD+           5 GLN  HG+         4.50    (#    730:20  Unique    3.04, 4.85 A)
 &rst
  ixpk= 730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  78,  79,
 igr2=  67,  68,
 &end
#
#    6 PRO  HD+           5 GLN  HG-         4.50    (#    731:20  Unique    3.04, 4.85 A)
 &rst
  ixpk= 731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  78,  79,
 igr2=  67,  68,
 &end
#
#   33 PRO  HD+          33 PRO  HB+         4.50    (#    732:20  Unique    2.79, 3.69 A)
 &rst
  ixpk= 732, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 519, 520,
 igr2= 525, 526,
 &end
#
#   72 PRO  HA           72 PRO  HB+         3.50    (#    733:20  Unique    2.28, 2.64 A)
 &rst
  ixpk= 733, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1148,1149,
 &end
#
#    0 AMB  20-2:734      0 AMB  20-1:734    4.50    (#    734:20  Double Ambig)
 &rst
  ixpk= 734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1142,1143,1142,1143,
 igr2=1148,1149,1148,1149,
 &end
#
#   23 MET  HA           23 MET  HG-         3.50    (#    735:20  Unique    2.39, 3.05 A)
 &rst
  ixpk= 735, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 354, 355,
 &end
#
#   42 PRO  HD-          42 PRO  HB+         4.50    (#    736:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 672, 673,
 igr2= 678, 679,
 &end
#
#   42 PRO  HA           42 PRO  HB+         3.50    (#    737:20  Unique    2.31, 2.56 A)
 &rst
  ixpk= 737, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 678, 679,
 &end
#
#   42 PRO  HD+          42 PRO  HB+         4.50    (#    738:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 672, 673,
 igr2= 678, 679,
 &end
#
#   24 MET  HA           24 MET  HG-         2.80    (#    739:20  Unique    2.45, 3.15 A)
 &rst
  ixpk= 739, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 371, 372,
 &end
#
#    7 PRO  HD+           6 PRO  HB+         3.50    (#    740:20  Unique    2.34, 3.64 A)
 &rst
  ixpk= 740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  92,  93,
 igr2=  84,  85,
 &end
#
#   76 MET  HA           15 ASN  HB-         4.50    (#    745:20  Unique    3.63, 4.58 A)
 &rst
  ixpk= 745, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:747      0 AMB  20-1:747    2.80    (#    747:20  Double Ambig)
 &rst
  ixpk= 747, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 469, 413,
 igr2= 471, 472, 471, 472,
 &end
#
#    0 AMB  20-2:748     30 ASN  HB-         2.80    (#    748:20  Single Ambig)
 &rst
  ixpk= 748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 469, 413,
 igr2= 471, 472,
 &end
#
#   63 GLU  HA           63 GLU  HG+         3.50    (#    749:20  Unique    2.44, 3.30 A)
 &rst
  ixpk= 749, nxpk= 20, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1005,1006,
 &end
#
#   63 GLU  HA           63 GLU  HG-         3.50    (#    751:20  Unique    2.44, 3.30 A)
 &rst
  ixpk= 751, nxpk= 20, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1005,1006,
 &end
#
#   22 GLU  HA            0 AMB  20-1:752    2.80    (#    752:20  Single Ambig)
 &rst
  ixpk= 752, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 339, 340, 339, 340,
 &end
#
#    0 AMB  20-2:753      0 AMB  20-1:753    3.50    (#    753:20  Double Ambig)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 958, 404, 405,
 igr2=1005,1006, 339, 340,
 &end
#
#    0 AMB  20-2:754      0 AMB  20-1:754    5.50    (#    754:20  Double Ambig)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1015, 349,
 igr2=1005,1006, 339, 340, 339, 340,
 &end
#
#   76 MET  HA           76 MET  HB-         4.50    (#    759:20  Unique    2.53, 2.80 A)
 &rst
  ixpk= 759, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1200,1201,
 &end
#
#   24 MET  HA           24 MET  HB-         3.50    (#    760:20  Unique    2.43, 2.77 A)
 &rst
  ixpk= 760, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#    0 AMB  20-2:761      0 AMB  20-1:761    2.80    (#    761:20  Double Ambig)
 &rst
  ixpk= 761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 413, 366,
 igr2= 415, 416, 415, 416, 415, 416,
 &end
#
#   37 GLU  HA           37 GLU  HB+         4.50    (#    762:20  Unique    2.52, 2.83 A)
 &rst
  ixpk= 762, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 585, 586,
 &end
#
#   22 GLU  HA           22 GLU  HB+         3.50    (#    764:20  Unique    2.51, 2.80 A)
 &rst
  ixpk= 764, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 336, 337,
 &end
#
#   63 GLU  HA           63 GLU  HB-         3.50    (#    765:20  Unique    2.23, 2.77 A)
 &rst
  ixpk= 765, nxpk= 20, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1002,1003,
 &end
#
#   22 GLU  HA           22 GLU  HB-         3.50    (#    766:20  Unique    2.51, 2.80 A)
 &rst
  ixpk= 766, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 336, 337,
 &end
#
#   19 GLU  HA           19 GLU  HB+         4.50    (#    767:20  Unique    2.42, 2.72 A)
 &rst
  ixpk= 767, nxpk= 20, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 293, 294,
 &end
#
#    0 AMB  20-2:770      0 AMB  20-1:770    3.50    (#    770:20  Double Ambig)
 &rst
  ixpk= 770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 519, 520, 672, 673,
 igr2= 522, 523, 675, 676,
 &end
#
#   42 PRO  HA           42 PRO  HG+         4.50    (#    771:20  Unique    2.74, 3.84 A)
 &rst
  ixpk= 771, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 675, 676,
 &end
#
#   42 PRO  HD-          42 PRO  HG+         3.50    (#    772:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 672, 673,
 igr2= 675, 676,
 &end
#
#   42 PRO  HA           42 PRO  HG-         4.50    (#    774:20  Unique    2.74, 3.84 A)
 &rst
  ixpk= 774, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 675, 676,
 &end
#
#   42 PRO  HD+          42 PRO  HG-         3.50    (#    775:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 775, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 672, 673,
 igr2= 675, 676,
 &end
#
#    6 PRO  HD+           6 PRO  HG+         2.80    (#    778:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  78,  79,
 igr2=  81,  82,
 &end
#
#   19 GLU  HA            0 AMB  20-1:782    3.50    (#    782:20  Single Ambig)
 &rst
  ixpk= 782, nxpk= 20, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 296, 297, 296, 297,
 &end
#
#   17 PRO  HA           17 PRO  HB+         4.50    (#    783:20  Unique    2.31, 2.54 A)
 &rst
  ixpk= 783, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 267, 268,
 &end
#
#    6 PRO  HD+           6 PRO  HB-         4.50    (#    784:20  Unique    2.72, 3.63 A)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  78,  79,
 igr2=  84,  85,
 &end
#
#    0 AMB  20-2:785      0 AMB  20-1:785    4.50    (#    785:20  Double Ambig)
 &rst
  ixpk= 785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1142,1143,1142,1143,1142,1143,
 igr2=1145,1146,1145,1146,1145,1146,
 &end
#
#    7 PRO  HD+           7 PRO  HG+         3.50    (#    786:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  92,  93,
 igr2=  95,  96,
 &end
#
#    6 PRO  HD+           6 PRO  HG-         2.80    (#    787:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  78,  79,
 igr2=  81,  82,
 &end
#
#   18 GLU  HA            0 AMB  20-1:788    2.80    (#    788:20  Single Ambig)
 &rst
  ixpk= 788, nxpk= 20, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 278, 279, 278, 279,
 &end
#
#   18 GLU  HA            0 AMB  20-1:789    3.50    (#    789:20  Single Ambig)
 &rst
  ixpk= 789, nxpk= 20, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 281, 282, 281, 282,
 &end
#
#    7 PRO  HD+           7 PRO  HG-         4.50    (#    790:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  92,  93,
 igr2=  95,  96,
 &end
#
#    0 AMB  20-2:791      0 AMB  20-1:791    4.50    (#    791:20  Double Ambig)
 &rst
  ixpk= 791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 270, 502, 503,
 igr2= 278, 279, 278, 279, 485, 486,
 &end
#
#   13 LEU  HA           13 LEU  HG          4.50    (#    795:20  Unique    2.37, 2.42 A)
 &rst
  ixpk= 795, nxpk= 20, iat= 196, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:796     11 LEU  HG          4.50    (#    796:20  Single Ambig)
 &rst
  ixpk= 796, nxpk= 20, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 157, 938,
 &end
#
#   11 LEU  HA           11 LEU  HB+         4.50    (#    797:20  Unique    2.43, 2.78 A)
 &rst
  ixpk= 797, nxpk= 20, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 159, 160,
 &end
#
#   13 LEU  HA           13 LEU  HB+         4.50    (#    798:20  Unique    2.69, 2.88 A)
 &rst
  ixpk= 798, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 198, 199,
 &end
#
#   14 THR  HA           47 ILE  HB          5.50    (#    799:20  Unique    3.08, 3.34 A)
 &rst
  ixpk= 799, nxpk= 20, iat= 215, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 ILE  HA           10 ILE  HB          4.50    (#    800:20  Unique    3.01, 3.04 A)
 &rst
  ixpk= 800, nxpk= 20, iat= 138, 140, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 PHE  HA           12 PHE  HB-         4.50    (#    801:20  Unique    2.45, 2.76 A)
 &rst
  ixpk= 801, nxpk= 20, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#   45 HIS  HA           45 HIS  HB-         3.50    (#    804:20  Unique    2.29, 2.76 A)
 &rst
  ixpk= 804, nxpk= 20, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 727, 728,
 &end
#
#   45 HIS  HA           45 HIS  HB+         3.50    (#    805:20  Unique    2.29, 2.76 A)
 &rst
  ixpk= 805, nxpk= 20, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 727, 728,
 &end
#
#   12 PHE  HA           12 PHE  HB+         4.50    (#    815:20  Unique    2.45, 2.76 A)
 &rst
  ixpk= 815, nxpk= 20, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#   21 ASN  HA           21 ASN  HB+         3.50    (#    816:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 816, nxpk= 20, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 322, 323,
 &end
#
#   21 ASN  HA           21 ASN  HB-         2.80    (#    817:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 817, nxpk= 20, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 322, 323,
 &end
#
#    0 AMB  20-2:818     58 SER  HA          4.50    (#    818:20  Single Ambig)
 &rst
  ixpk= 818, nxpk= 20, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 938, 541,
 &end
#
#    0 AMB  20-2:819      0 AMB  20-1:819    4.50    (#    819:20  Double Ambig)
 &rst
  ixpk= 819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 834, 938,
 igr2= 836, 837, 836, 837, 836, 837,
 &end
#
#    0 AMB  20-2:820      0 AMB  20-1:820    4.50    (#    820:20  Double Ambig)
 &rst
  ixpk= 820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 834, 938,
 igr2= 836, 837, 836, 837, 836, 837,
 &end
#
#   80 PHE  HA           80 PHE  HB+         4.50    (#    822:20  Unique    2.50, 2.79 A)
 &rst
  ixpk= 822, nxpk= 20, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1272,1273,
 &end
#
#   58 SER  HG           58 SER  HB-         3.50    (#    824:20  Unique    2.11, 2.33 A)
 &rst
  ixpk= 824, nxpk= 20, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 935, 936,
 &end
#
#    6 PRO  HA            7 PRO  HD-         3.50    (#    825:20  Unique    2.12, 2.49 A)
 &rst
  ixpk= 825, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  92,  93,
 &end
#
#   16 LEU  HA           17 PRO  HD+         4.50    (#    826:20  Unique    2.33, 2.48 A)
 &rst
  ixpk= 826, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 261, 262,
 &end
#
#   16 LEU  HA           17 PRO  HD-         4.50    (#    827:20  Unique    2.33, 2.48 A)
 &rst
  ixpk= 827, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 261, 262,
 &end
#
#   68 PHE  HB+          68 PHE  HA          4.50    (#    828:20  Unique    2.42, 2.74 A)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1070,1071,
 &end
#
#   68 PHE  HB-          68 PHE  HA          3.50    (#    829:20  Unique    2.42, 2.74 A)
 &rst
  ixpk= 829, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1070,1071,
 &end
#
#    0 AMB  20-2:830     56 LEU  HA          3.50    (#    830:20  Single Ambig)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 946, 947, 946, 947,
 &end
#
#    0 AMB  20-2:831     83 LYS  HA          4.50    (#    831:20  Single Ambig)
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1333,1334,1333,1334,1311,1312,
 &end
#
#    0 AMB  20-2:832     83 LYS  HA          4.50    (#    832:20  Single Ambig)
 &rst
  ixpk= 832, nxpk= 20, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1333,1334,1333,1334,1311,1312,
 &end
#
#   35 PHE  HB+          30 ASN  HA          4.50    (#    833:20  Unique    2.70, 4.04 A)
 &rst
  ixpk= 833, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 543, 544,
 &end
#
#   35 PHE  HB-          30 ASN  HA          3.50    (#    834:20  Unique    2.70, 4.04 A)
 &rst
  ixpk= 834, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 543, 544,
 &end
#
#   58 SER  HA           58 SER  HB-         4.50    (#    835:20  Unique    2.34, 2.48 A)
 &rst
  ixpk= 835, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 935, 936,
 &end
#
#   17 PRO  HD-          16 LEU  HA          4.50    (#    836:20  Unique    2.33, 2.48 A)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   29 PHE  HB+          29 PHE  HA          4.50    (#    838:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 451, 452,
 &end
#
#    0 AMB  20-2:841     59 ASN  HA          3.50    (#    841:20  Single Ambig)
 &rst
  ixpk= 841, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 946, 947, 946, 947,
 &end
#
#   43 ASN  HB-          43 ASN  HA          2.80    (#    847:20  Unique    2.18, 2.69 A)
 &rst
  ixpk= 847, nxpk= 20, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 689, 690,
 &end
#
#    0 AMB  20-2:848     81 ALA  HA          3.50    (#    848:20  Single Ambig)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 178, 179,1311,1312,
 &end
#
#    0 AMB  20-2:851     36 LYS  HA          5.50    (#    851:20  Single Ambig)
 &rst
  ixpk= 851, nxpk= 20, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 572, 573, 572, 573,
 &end
#
#    0 AMB  20-2:852     53 THR  HA          4.50    (#    852:20  Single Ambig)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 572, 573, 572, 573,
 &end
#
#    0 AMB  20-2:853     70 ILE  HA          5.50    (#    853:20  Single Ambig)
 &rst
  ixpk= 853, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1088,1129,1131,1188,
 &end
#
#   21 ASN  HA           22 GLU  HA          4.50    (#    857:20  Unique    4.19, 4.32 A)
 &rst
  ixpk= 857, nxpk= 20, iat= 320, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HA           42 PRO  HD+         3.50    (#    860:20  Unique    2.17, 2.35 A)
 &rst
  ixpk= 860, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 672, 673,
 &end
#
#   41 VAL  HA           42 PRO  HD-         3.50    (#    861:20  Unique    2.17, 2.35 A)
 &rst
  ixpk= 861, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 672, 673,
 &end
#
#   32 PHE  HA           33 PRO  HD-         3.50    (#    862:20  Unique    2.03, 2.34 A)
 &rst
  ixpk= 862, nxpk= 20, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 519, 520,
 &end
#
#    5 GLN  HA            6 PRO  HD+         2.80    (#    863:20  Unique    2.33, 2.54 A)
 &rst
  ixpk= 863, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  78,  79,
 &end
#
#    0 AMB  20-2:864      0 AMB  20-1:864    3.50    (#    864:20  Double Ambig)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1131,1129,
 igr2=1142,1143,1142,1143,
 &end
#
#   53 THR  HB           34 GLY  HA+         4.50    (#    865:20  Unique    2.43, 2.94 A)
 &rst
  ixpk= 865, nxpk= 20, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 534, 535,
 &end
#
#   32 PHE  HA           32 PHE  HB+         5.50    (#    872:20  Unique    2.36, 2.70 A)
 &rst
  ixpk= 872, nxpk= 20, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 502, 503,
 &end
#
#   15 ASN  HA           15 ASN  HB+         3.50    (#    873:20  Unique    2.51, 2.78 A)
 &rst
  ixpk= 873, nxpk= 20, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 231, 232,
 &end
#
#   21 ASN  HA           20 THR  HA          4.50    (#    874:20  Unique    4.48, 4.50 A)
 &rst
  ixpk= 874, nxpk= 20, iat= 320, 306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:875      0 AMB  20-1:875    2.80    (#    875:20  Double Ambig)
 &rst
  ixpk= 875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 366, 413,
 igr2= 418, 419, 418, 419, 418, 419,
 &end
#
#   23 MET  HA           23 MET  HG+         3.50    (#    876:20  Unique    2.39, 3.05 A)
 &rst
  ixpk= 876, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 354, 355,
 &end
#
#   24 MET  HA           24 MET  HG+         2.80    (#    877:20  Unique    2.45, 3.15 A)
 &rst
  ixpk= 877, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 371, 372,
 &end
#
#   58 SER  HB+          58 SER  HA          3.50    (#    878:20  Unique    2.34, 2.48 A)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 935, 936,
 &end
#
#   83 LYS  HA            0 AMB  20-1:881    4.50    (#    881:20  Single Ambig)
 &rst
  ixpk= 881, nxpk= 20, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1333,1334,1333,1334,
 &end
#
#   36 LYS  HA            0 AMB  20-1:882    4.50    (#    882:20  Single Ambig)
 &rst
  ixpk= 882, nxpk= 20, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 572, 573, 572, 573,
 &end
#
#   43 ASN  HA            0 AMB  20-1:883    2.80    (#    883:20  Single Ambig)
 &rst
  ixpk= 883, nxpk= 20, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 689, 690, 689, 690,
 &end
#
#   43 ASN  HA           43 ASN  HB-         2.80    (#    884:20  Unique    2.18, 2.69 A)
 &rst
  ixpk= 884, nxpk= 20, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 689, 690,
 &end
#
#   34 GLY  HA+          33 PRO  HA          4.50    (#    886:20  Unique    4.50, 4.91 A)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 534, 535,
 &end
#
#    7 PRO  HD+           6 PRO  HA          2.80    (#    889:20  Unique    2.12, 2.49 A)
 &rst
  ixpk= 889, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  92,  93,
 &end
#
#   42 PRO  HD+          41 VAL  HA          2.80    (#    891:20  Unique    2.17, 2.35 A)
 &rst
  ixpk= 891, nxpk= 20, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 672, 673,
 &end
#
#   42 PRO  HD-          41 VAL  HA          2.80    (#    892:20  Unique    2.17, 2.35 A)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 672, 673,
 &end
#
#   72 PRO  HD+          71 THR  HA          2.80    (#    893:20  Unique    2.16, 2.62 A)
 &rst
  ixpk= 893, nxpk= 20, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1142,1143,
 &end
#
#   15 ASN  HB+          15 ASN  HA          3.50    (#    895:20  Unique    2.51, 2.78 A)
 &rst
  ixpk= 895, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 231, 232,
 &end
#
#    6 PRO  HD+           5 GLN  HA          2.80    (#    896:20  Unique    2.33, 2.54 A)
 &rst
  ixpk= 896, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  78,  79,
 &end
#
#   64 ALA  MB           61 ALA  HA          3.50    (#    905:20  Unique    2.43, 3.31 A)
 &rst
  ixpk= 905, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1017,1018,1019,
 &end
#
#   39 ARG  HG+          39 ARG  HD+         3.50    (#    906:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 619, 620,
 igr2= 622, 623,
 &end
#
#    0 AMB  20-2:907      0 AMB  20-1:907    3.50    (#    907:20  Double Ambig)
 &rst
  ixpk= 907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 616, 617, 616, 617, 821, 822,
 igr2= 622, 623, 622, 623, 622, 623,
 &end
#
#   50 VAL  HB           49 PHE  HB-         5.50    (#    908:20  Unique    5.20, 5.82 A)
 &rst
  ixpk= 908, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 785, 786,
 &end
#
#    0 AMB  20-2:909     49 PHE  HB-         7.00    (#    909:20  Single Ambig)
 &rst
  ixpk= 909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 159, 160, 198, 199,
 igr2= 785, 786,
 &end
#
#    0 AMB  20-2:910      0 AMB  20-1:910    2.80    (#    910:20  Double Ambig)
 &rst
  ixpk= 910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1308,1309,1308,1309,1308,1309,1330,1331,1330,1331,
      1330,1331,
 igr2=1311,1312,1311,1312,1311,1312,1333,1334,1333,1334,
      1333,1334,
 &end
#
#    0 AMB  20-2:911      0 AMB  20-1:911    2.80    (#    911:20  Double Ambig)
 &rst
  ixpk= 911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1327,1328,1327,1328,1327,1328,1305,1306,
 igr2=1333,1334,1333,1334,1333,1334,1311,1312,1311,1312,
      
 &end
#
#    0 AMB  20-2:912     69 LYS  HE-         2.80    (#    912:20  Single Ambig)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1093,1094,1096,1097,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:913     69 LYS  HE-         3.50    (#    913:20  Single Ambig)
 &rst
  ixpk= 913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1093,1094,1190,1191,1192,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:914      0 AMB  20-1:914    2.80    (#    914:20  Double Ambig)
 &rst
  ixpk= 914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1093,1094,1190,1191,1192,
 igr2=1099,1100,1099,1100,
 &end
#
#    0 AMB  20-2:915      0 AMB  20-1:915    2.80    (#    915:20  Double Ambig)
 &rst
  ixpk= 915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 569, 570, 569, 570,
 igr2= 572, 573, 572, 573,
 &end
#
#    0 AMB  20-2:916      0 AMB  20-1:916    2.80    (#    916:20  Double Ambig)
 &rst
  ixpk= 916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 563, 564, 563, 564,
 igr2= 572, 573, 572, 573,
 &end
#
#   61 ALA  MB           58 SER  HA          3.50    (#    918:20  Unique    2.57, 3.45 A)
 &rst
  ixpk= 918, nxpk= 20, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 970, 971, 972,
 &end
#
#   10 ILE  MD1           0 AMB  20-1:920    4.50    (#    920:20  Single Ambig)
 &rst
  ixpk= 920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 149, 150, 151,
 igr2=1333,1334,1333,1334,
 &end
#
#   70 ILE  MG2          17 PRO  HD-         4.50    (#    921:20  Unique    2.35, 3.69 A)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1114,1115,1116,
 igr2= 261, 262,
 &end
#
#    0 AMB  20-2:922      0 AMB  20-1:922    4.50    (#    922:20  Double Ambig)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 709, 710, 709, 710,
 &end
#
#    0 AMB  20-2:923     44 ARG  HD-         4.50    (#    923:20  Single Ambig)
 &rst
  ixpk= 923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 709, 710,
 &end
#
#   10 ILE  MG2           0 AMB  20-1:924    4.50    (#    924:20  Single Ambig)
 &rst
  ixpk= 924, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 142, 143, 144,
 igr2= 785, 786,1333,1334,1333,1334,
 &end
#
#   28 LEU  MDY          28 LEU  HA          3.50    (#    925:20  Unique    2.14, 3.82 A)
 &rst
  ixpk= 925, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  MDX          28 LEU  HA          3.50    (#    926:20  Unique    2.14, 3.82 A)
 &rst
  ixpk= 926, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  MDX           0 AMB  20-1:927    4.50    (#    927:20  Single Ambig)
 &rst
  ixpk= 927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 418, 419, 418, 419,
 &end
#
#   65 LEU  MDY          68 PHE  HB+         4.50    (#    928:20  Unique    2.92, 4.77 A)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1070,1071,
 &end
#
#   65 LEU  MDY          65 LEU  HA          2.80    (#    929:20  Unique    2.16, 3.80 A)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   61 ALA  MB           29 PHE  HA          4.50    (#    930:20  Unique    4.09, 5.22 A)
 &rst
  ixpk= 930, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 970, 971, 972,
 &end
#
#   40 LEU  MDY          22 GLU  HA          3.50    (#    931:20  Unique    2.67, 4.01 A)
 &rst
  ixpk= 931, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#   25 LEU  HG           22 GLU  HA          4.50    (#    932:20  Unique    3.54, 3.77 A)
 &rst
  ixpk= 932, nxpk= 20, iat= 388, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 ILE  MD1          62 LYS  HA          2.80    (#    933:20  Unique    2.23, 2.84 A)
 &rst
  ixpk= 933, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1248,1249,1250,
 &end
#
#   78 ILE  MG2          62 LYS  HA          2.80    (#    934:20  Unique    2.17, 3.43 A)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1241,1242,1243,
 &end
#
#   56 LEU  MDY          56 LEU  HA          2.80    (#    935:20  Unique    2.20, 3.64 A)
 &rst
  ixpk= 935, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#   78 ILE  MD1          66 GLN  HA          3.50    (#    936:20  Unique    2.68, 3.69 A)
 &rst
  ixpk= 936, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1248,1249,1250,
 &end
#
#   25 LEU  MDX          25 LEU  HA          3.50    (#    937:20  Unique    2.20, 3.68 A)
 &rst
  ixpk= 937, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HG           25 LEU  HA          3.50    (#    938:20  Unique    3.25, 3.32 A)
 &rst
  ixpk= 938, nxpk= 20, iat= 388, 383, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 ILE  MG2          14 THR  HB          4.50    (#    941:20  Unique    3.07, 4.27 A)
 &rst
  ixpk= 941, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 758, 759, 760,
 &end
#
#   14 THR  MG2          14 THR  HB          2.80    (#    942:20  Unique    2.37, 2.66 A)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 219, 220, 221,
 &end
#
#   70 ILE  HG1+         70 ILE  HA          3.50    (#    946:20  Unique    2.71, 2.85 A)
 &rst
  ixpk= 946, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1118,1119,
 &end
#
#   70 ILE  MG2          70 ILE  HA          3.50    (#    947:20  Unique    2.54, 3.16 A)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1114,1115,1116,
 &end
#
#   38 VAL  MGX          26 SER  HB+         5.50    (#    948:20  Unique    2.88, 5.87 A)
 &rst
  ixpk= 948, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 404, 405,
 &end
#
#   38 VAL  MGX          26 SER  HB-         4.50    (#    949:20  Unique    2.88, 5.87 A)
 &rst
  ixpk= 949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 404, 405,
 &end
#
#   38 VAL  MGX          26 SER  HA          4.50    (#    950:20  Unique    2.48, 4.44 A)
 &rst
  ixpk= 950, nxpk= 20, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#    3 THR  MG2           3 THR  HA          2.80    (#    951:20  Unique    2.39, 3.02 A)
 &rst
  ixpk= 951, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  37,  38,  39,
 &end
#
#   17 PRO  HB-          17 PRO  HA          2.80    (#    952:20  Unique    2.31, 2.54 A)
 &rst
  ixpk= 952, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 267, 268,
 &end
#
#   73 THR  MG2          73 THR  HA          2.80    (#    953:20  Unique    2.42, 3.04 A)
 &rst
  ixpk= 953, nxpk= 20, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1161,1162,1163,
 &end
#
#   38 VAL  MGY          22 GLU  HA          2.80    (#    954:20  Unique    2.41, 4.37 A)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  MGX          22 GLU  HA          4.50    (#    955:20  Unique    2.41, 4.37 A)
 &rst
  ixpk= 955, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:956     68 PHE  HA          4.50    (#    956:20  Single Ambig)
 &rst
  ixpk= 956, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1090,1091,1027,1028,1027,1028,1118,1119,
 &end
#
#    0 AMB  20-2:957     41 VAL  HA          2.80    (#    957:20  Single Ambig)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   79 THR  MG2          79 THR  HA          3.50    (#    958:20  Unique    2.35, 2.97 A)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1260,1261,1262,
 &end
#
#   75 ALA  MB           74 HIS  HA          4.50    (#    959:20  Unique    4.47, 5.03 A)
 &rst
  ixpk= 959, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1190,1191,1192,
 &end
#
#   25 LEU  HB-          25 LEU  HA          4.50    (#    960:20  Unique    2.43, 2.75 A)
 &rst
  ixpk= 960, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 385, 386,
 &end
#
#    0 AMB  20-2:961      0 AMB  20-1:961    4.50    (#    961:20  Double Ambig)
 &rst
  ixpk= 961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 310, 311, 312,1190,1191,1192,
 igr2= 383,1198,
 &end
#
#    0 AMB  20-2:962      0 AMB  20-1:962    4.50    (#    962:20  Double Ambig)
 &rst
  ixpk= 962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 432, 433,1121,1122,1123,
 igr2= 383,1198,
 &end
#
#   28 LEU  HB+          28 LEU  HA          3.50    (#    964:20  Unique    2.56, 2.81 A)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 432, 433,
 &end
#
#   79 THR  MG2           2 GLN  HA          4.50    (#    965:20  Unique    2.76, 4.85 A)
 &rst
  ixpk= 965, nxpk= 20, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1260,1261,1262,
 &end
#
#    0 AMB  20-2:966     37 GLU  HA          4.50    (#    966:20  Single Ambig)
 &rst
  ixpk= 966, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 602, 603, 604, 606, 607, 608, 563, 564,
 &end
#
#    0 AMB  20-2:968     65 LEU  HA          3.50    (#    968:20  Single Ambig)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1027,1028,1027,1028,
 &end
#
#   65 LEU  HG           65 LEU  HA          4.50    (#    969:20  Unique    3.06, 3.10 A)
 &rst
  ixpk= 969, nxpk= 20, iat=1030,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:970     48 ALA  HA          2.80    (#    970:20  Single Ambig)
 &rst
  ixpk= 970, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:973      0 AMB  20-1:973    3.50    (#    973:20  Double Ambig)
 &rst
  ixpk= 973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 672, 673, 672, 673,
 &end
#
#    0 AMB  20-2:974     42 PRO  HD-         3.50    (#    974:20  Single Ambig)
 &rst
  ixpk= 974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 672, 673,
 &end
#
#   69 LYS  HG+          72 PRO  HD-         4.50    (#    978:20  Unique    5.39, 6.80 A)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1093,1094,
 igr2=1142,1143,
 &end
#
#   75 ALA  MB           67 GLY  HA+         4.50    (#    979:20  Unique    2.09, 3.86 A)
 &rst
  ixpk= 979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1190,1191,1192,
 igr2=1061,1062,
 &end
#
#   75 ALA  MB           67 GLY  HA-         3.50    (#    980:20  Unique    2.09, 3.86 A)
 &rst
  ixpk= 980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1190,1191,1192,
 igr2=1061,1062,
 &end
#
#   79 THR  MG2          79 THR  HB          2.80    (#    983:20  Unique    2.41, 2.65 A)
 &rst
  ixpk= 983, nxpk= 20, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1260,1261,1262,
 &end
#
#    3 THR  MG2           3 THR  HB          2.80    (#    984:20  Unique    2.40, 2.66 A)
 &rst
  ixpk= 984, nxpk= 20, iat=  -1,  35, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  37,  38,  39,
 &end
#
#   73 THR  MG2          73 THR  HB          2.80    (#    985:20  Unique    2.44, 2.67 A)
 &rst
  ixpk= 985, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1161,1162,1163,
 &end
#
#   20 THR  MG2          20 THR  HB          2.80    (#    986:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 310, 311, 312,
 &end
#
#    0 AMB  20-2:987     53 THR  HA          3.50    (#    987:20  Single Ambig)
 &rst
  ixpk= 987, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 858, 859, 860, 563, 564,
 &end
#
#    0 AMB  20-2:988     53 THR  HA          4.50    (#    988:20  Single Ambig)
 &rst
  ixpk= 988, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 569, 570, 566, 567,
 &end
#
#   20 THR  MG2          20 THR  HA          3.50    (#    989:20  Unique    2.42, 3.09 A)
 &rst
  ixpk= 989, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 310, 311, 312,
 &end
#
#   69 LYS  HG+          72 PRO  HA          4.50    (#    990:20  Unique    2.81, 3.74 A)
 &rst
  ixpk= 990, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1093,1094,
 &end
#
#   62 LYS  HB-          62 LYS  HA          4.50    (#    991:20  Unique    2.31, 2.70 A)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#    7 PRO  HG-           7 PRO  HD+         4.50    (#    992:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  95,  96,
 igr2=  92,  93,
 &end
#
#    7 PRO  HG-           7 PRO  HD-         3.50    (#    993:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  95,  96,
 igr2=  92,  93,
 &end
#
#    0 AMB  20-2:994      0 AMB  20-1:994    4.50    (#    994:20  Double Ambig)
 &rst
  ixpk= 994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 706, 707, 706, 707,
 igr2= 709, 710, 709, 710,
 &end
#
#    0 AMB  20-2:995     44 ARG  HD-         4.50    (#    995:20  Single Ambig)
 &rst
  ixpk= 995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 706, 707, 706, 707,
 igr2= 709, 710,
 &end
#
#    0 AMB  20-2:996     18 GLU  HA          2.80    (#    996:20  Single Ambig)
 &rst
  ixpk= 996, nxpk= 20, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 278, 279, 278, 279,
 &end
#
#    0 AMB  20-2:997      7 PRO  HD-         3.50    (#    997:20  Single Ambig)
 &rst
  ixpk= 997, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  95,  96,  84,  85,
 igr2=  92,  93,
 &end
#
#    0 AMB  20-2:998     39 ARG  HD-         3.50    (#    998:20  Single Ambig)
 &rst
  ixpk= 998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 616, 617, 616, 617, 821, 822,
 igr2= 622, 623,
 &end
#
#    0 AMB  20-2:999     18 GLU  HA          3.50    (#    999:20  Single Ambig)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 281, 282, 281, 282,
 &end
#
#    6 PRO  HB+           7 PRO  HD-         4.50    (#   1000:20  Unique    2.34, 3.64 A)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  84,  85,
 igr2=  92,  93,
 &end
#
#   76 MET  HG+          70 ILE  HA          7.00    (#   1001:20  Unique    6.97, 7.60 A)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1203,1204,
 &end
#
#   23 MET  HG+          23 MET  HA          3.50    (#   1002:20  Unique    2.39, 3.05 A)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 354, 355,
 &end
#
#   23 MET  HG-          23 MET  HA          3.50    (#   1003:20  Unique    2.39, 3.05 A)
 &rst
  ixpk= 1003, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 354, 355,
 &end
#
#   24 MET  HG+          24 MET  HA          2.80    (#   1004:20  Unique    2.45, 3.15 A)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 371, 372,
 &end
#
#   24 MET  HG-          24 MET  HA          3.50    (#   1005:20  Unique    2.45, 3.15 A)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 371, 372,
 &end
#
#    0 AMB  20-2:1006    27 MET  HA          3.50    (#   1006:20  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 418, 419, 418, 419,
 &end
#
#    0 AMB  20-2:1007    76 MET  HA          3.50    (#   1007:20  Single Ambig)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1203,1204, 231, 232,
 &end
#
#   66 GLN  HG-          66 GLN  HA          3.50    (#   1008:20  Unique    2.22, 3.18 A)
 &rst
  ixpk= 1008, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1049,1050,
 &end
#
#   30 ASN  HB+          30 ASN  HA          2.80    (#   1009:20  Unique    2.20, 2.73 A)
 &rst
  ixpk= 1009, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 471, 472,
 &end
#
#   12 PHE  HB-          81 ALA  HA          3.50    (#   1010:20  Unique    2.54, 3.13 A)
 &rst
  ixpk= 1010, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 178, 179,
 &end
#
#   33 PRO  HB+          33 PRO  HA          3.50    (#   1011:20  Unique    2.27, 2.58 A)
 &rst
  ixpk= 1011, nxpk= 20, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 525, 526,
 &end
#
#   33 PRO  HG+          33 PRO  HA          4.50    (#   1012:20  Unique    2.84, 3.78 A)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 523,
 &end
#
#    0 AMB  20-2:1013     3 THR  HA          4.50    (#   1013:20  Single Ambig)
 &rst
  ixpk= 1013, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  52,  53,  21,  22,
 &end
#
#    5 GLN  HG+           4 GLU  HA          5.50    (#   1014:20  Unique    3.53, 4.86 A)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  67,  68,
 &end
#
#   15 ASN  HB-          15 ASN  HA          3.50    (#   1015:20  Unique    2.51, 2.78 A)
 &rst
  ixpk= 1015, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 231, 232,
 &end
#
#   42 PRO  HB+          42 PRO  HA          2.80    (#   1018:20  Unique    2.31, 2.56 A)
 &rst
  ixpk= 1018, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 678, 679,
 &end
#
#    0 AMB  20-2:1019    22 GLU  HA          2.80    (#   1019:20  Single Ambig)
 &rst
  ixpk= 1019, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 339, 340, 339, 340,
 &end
#
#   24 MET  HB+          24 MET  HA          2.80    (#   1020:20  Unique    2.43, 2.77 A)
 &rst
  ixpk= 1020, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 368, 369,
 &end
#
#    0 AMB  20-2:1021     9 GLN  HA          4.50    (#   1021:20  Single Ambig)
 &rst
  ixpk= 1021, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 126, 127, 126, 127,
 &end
#
#    9 GLN  HB+           9 GLN  HA          3.50    (#   1022:20  Unique    2.33, 2.41 A)
 &rst
  ixpk= 1022, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 123, 124,
 &end
#
#   63 GLU  HG-          63 GLU  HA          3.50    (#   1023:20  Unique    2.44, 3.30 A)
 &rst
  ixpk= 1023, nxpk= 20, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1005,1006,
 &end
#
#   63 GLU  HG+          63 GLU  HA          3.50    (#   1024:20  Unique    2.44, 3.30 A)
 &rst
  ixpk= 1024, nxpk= 20, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1005,1006,
 &end
#
#    0 AMB  20-2:1025     0 AMB  20-1:1025   4.50    (#   1025:20  Double Ambig)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1200,1201, 368, 369,
 igr2=1198, 383,
 &end
#
#    0 AMB  20-2:1026    57 GLN  HA          2.80    (#   1026:20  Single Ambig)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 921, 922, 921, 922,
 &end
#
#    5 GLN  HG-          82 LYS  HA          4.50    (#   1027:20  Unique    2.33, 3.69 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
#   30 ASN  HB-          30 ASN  HA          3.50    (#   1028:20  Unique    2.20, 2.73 A)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 471, 472,
 &end
#
#   42 PRO  HB+          42 PRO  HD+         4.50    (#   1029:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 1029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 678, 679,
 igr2= 672, 673,
 &end
#
#   42 PRO  HB+          42 PRO  HD-         4.50    (#   1030:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 1030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 678, 679,
 igr2= 672, 673,
 &end
#
#   33 PRO  HG+          33 PRO  HD+         4.50    (#   1031:20  Unique    2.31, 2.60 A)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 522, 523,
 igr2= 519, 520,
 &end
#
#   33 PRO  HG+          33 PRO  HD-         4.50    (#   1032:20  Unique    2.31, 2.60 A)
 &rst
  ixpk= 1032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 522, 523,
 igr2= 519, 520,
 &end
#
#    5 GLN  HG-           6 PRO  HD+         4.50    (#   1033:20  Unique    3.04, 4.85 A)
 &rst
  ixpk= 1033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  67,  68,
 igr2=  78,  79,
 &end
#
#    5 GLN  HB+           6 PRO  HD+         2.80    (#   1034:20  Unique    2.11, 3.56 A)
 &rst
  ixpk= 1034, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  64,  65,
 igr2=  78,  79,
 &end
#
#   72 PRO  HB+          72 PRO  HD-         4.50    (#   1035:20  Unique    2.83, 3.68 A)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1148,1149,
 igr2=1142,1143,
 &end
#
#    5 GLN  HG-           6 PRO  HD+         4.50    (#   1036:20  Unique    3.04, 4.85 A)
 &rst
  ixpk= 1036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  67,  68,
 igr2=  78,  79,
 &end
#
#   72 PRO  HB+          72 PRO  HA          2.80    (#   1037:20  Unique    2.28, 2.64 A)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1148,1149,
 &end
#
#    0 AMB  20-2:1039     0 AMB  20-1:1039   4.50    (#   1039:20  Double Ambig)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1= 146, 147, 146, 147, 149, 150, 151,
 igr2= 126, 127, 126, 127, 126, 127,
 &end
#
#   78 ILE  MD1          76 MET  HG+         4.50    (#   1040:20  Unique    2.89, 4.61 A)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1248,1249,1250,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:1041     0 AMB  20-1:1041   4.50    (#   1041:20  Double Ambig)
 &rst
  ixpk= 1041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1245,1246,1121,1122,1123,
 igr2=1203,1204,1203,1204,
 &end
#
#    0 AMB  20-2:1042     0 AMB  20-1:1042   4.50    (#   1042:20  Double Ambig)
 &rst
  ixpk= 1042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,
 igr2=1203,1204,1203,1204,
 &end
#
#   78 ILE  MD1          76 MET  HG-         5.50    (#   1043:20  Unique    2.89, 4.61 A)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1248,1249,1250,
 igr2=1203,1204,
 &end
#
#   61 ALA  MB           61 ALA  HA          2.80    (#   1045:20  Unique    2.42, 2.65 A)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 970, 971, 972,
 &end
#
#   62 LYS  HD+          62 LYS  HE+         3.50    (#   1046:20  Unique    2.29, 2.71 A)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 986, 987,
 igr2= 989, 990,
 &end
#
#    0 AMB  20-2:1047     0 AMB  20-1:1047   2.80    (#   1047:20  Double Ambig)
 &rst
  ixpk= 1047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 986, 987,1241,1242,1243,
 igr2= 989, 990, 989, 990,
 &end
#
#   62 LYS  HD+          62 LYS  HE-         3.50    (#   1048:20  Unique    2.29, 2.71 A)
 &rst
  ixpk= 1048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 986, 987,
 igr2= 989, 990,
 &end
#
#    0 AMB  20-2:1049    62 LYS  HE-         2.80    (#   1049:20  Single Ambig)
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 986, 987,1241,1242,1243,
 igr2= 989, 990,
 &end
#
#   38 VAL  MGY           0 AMB  20-1:1051   2.80    (#   1051:20  Single Ambig)
 &rst
  ixpk= 1051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 339, 340, 339, 340,
 &end
#
#    0 AMB  20-2:1052     0 AMB  20-1:1052   2.80    (#   1052:20  Double Ambig)
 &rst
  ixpk= 1052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 602, 603, 604, 606, 607, 608, 983, 984,
 igr2= 339, 340, 339, 340,1005,1006,
 &end
#
#   40 LEU  MDY           0 AMB  20-1:1053   3.50    (#   1053:20  Single Ambig)
 &rst
  ixpk= 1053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 339, 340, 339, 340,
 &end
#
#   50 VAL  MGY          50 VAL  HB          2.80    (#   1054:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 1054, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  MGX          50 VAL  HB          3.50    (#   1055:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 1055, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   28 LEU  MDX          28 LEU  HG          3.50    (#   1057:20  Unique    2.44, 2.66 A)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  MDY          28 LEU  HG          3.50    (#   1058:20  Unique    2.44, 2.66 A)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   65 LEU  MDY          64 ALA  MB          4.50    (#   1059:20  Unique    3.70, 5.41 A)
 &rst
  ixpk= 1059, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1017,1018,1019,
 &end
#
#   28 LEU  MDY          28 LEU  HB-         3.50    (#   1060:20  Unique    2.41, 3.32 A)
 &rst
  ixpk= 1060, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 432, 433,
 &end
#
#    0 AMB  20-2:1061    28 LEU  HB-         3.50    (#   1061:20  Single Ambig)
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 igr2= 432, 433,
 &end
#
#   11 LEU  MDX          50 VAL  HB          3.50    (#   1062:20  Unique    2.78, 4.95 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#   70 ILE  MD1          70 ILE  HG1-        3.50    (#   1063:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1121,1122,1123,
 igr2=1118,1119,
 &end
#
#   36 LYS  HG-          36 LYS  HD+         3.50    (#   1064:20  Unique    2.35, 2.60 A)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 566, 567,
 igr2= 569, 570,
 &end
#
#    0 AMB  20-2:1065    69 LYS  HD-         2.80    (#   1065:20  Single Ambig)
 &rst
  ixpk= 1065, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1190,1191,1192,1093,1094,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:1068     0 AMB  20-1:1068   2.80    (#   1068:20  Double Ambig)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1190,1191,1192,1093,1094,
 igr2=1096,1097,1096,1097,
 &end
#
#   13 LEU  MDX          13 LEU  HG          2.80    (#   1069:20  Unique    2.41, 2.66 A)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 203, 204, 205, 207, 208, 209,
 &end
#
#   40 LEU  MDY          40 LEU  HG          2.80    (#   1070:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1071     0 AMB  20-1:1071   2.80    (#   1071:20  Double Ambig)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 645, 646, 647, 649, 650, 651, 904, 905, 906, 908,
       909, 910,
 igr2= 643, 902,
 &end
#
#   78 ILE  MD1          78 ILE  HG1-        4.50    (#   1073:20  Unique    2.32, 2.64 A)
 &rst
  ixpk= 1073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1248,1249,1250,
 igr2=1245,1246,
 &end
#
#    0 AMB  20-2:1074     0 AMB  20-1:1074   3.50    (#   1074:20  Double Ambig)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 267, 268,1114,1115,1116,
 igr2= 264, 265, 264, 265, 264, 265,
 &end
#
#    0 AMB  20-2:1075     0 AMB  20-1:1075   3.50    (#   1075:20  Double Ambig)
 &rst
  ixpk= 1075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 267, 268,1114,1115,1116,
 igr2= 264, 265, 264, 265, 264, 265,
 &end
#
#    0 AMB  20-2:1077    11 LEU  HG          4.50    (#   1077:20  Single Ambig)
 &rst
  ixpk= 1077, nxpk= 20, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1241,1242,1243, 164, 165, 166, 168, 169, 170,
 &end
#
#   11 LEU  MDX          11 LEU  HG          5.50    (#   1078:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1078, nxpk= 20, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:1080     0 AMB  20-1:1080   5.50    (#   1080:20  Double Ambig)
 &rst
  ixpk= 1080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 706, 707, 706, 707, 706, 707,
 &end
#
#   28 LEU  HB+          28 LEU  HG          4.50    (#   1081:20  Unique    2.51, 2.79 A)
 &rst
  ixpk= 1081, nxpk= 20, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 432, 433,
 &end
#
#   61 ALA  MB           64 ALA  MB          4.50    (#   1096:20  Unique    4.30, 5.74 A)
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 970, 971, 972,
 igr2=1017,1018,1019,
 &end
#
#    0 AMB  20-2:1098     0 AMB  20-1:1098   3.50    (#   1098:20  Double Ambig)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,
 igr2= 198, 199, 198, 199,
 &end
#
#   40 LEU  MDY          40 LEU  HB+         4.50    (#   1102:20  Unique    2.30, 3.34 A)
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 640, 641,
 &end
#
#    0 AMB  20-2:1103     0 AMB  20-1:1103   2.80    (#   1103:20  Double Ambig)
 &rst
  ixpk= 1103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 904, 905, 906, 908, 909, 910, 765, 766, 767,
 igr2= 899, 900, 756,
 &end
#
#   56 LEU  MDX          56 LEU  HB-         2.80    (#   1104:20  Unique    2.42, 3.47 A)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 904, 905, 906, 908, 909, 910,
 igr2= 899, 900,
 &end
#
#   40 LEU  MDX          40 LEU  HB+         3.50    (#   1105:20  Unique    2.30, 3.34 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 640, 641,
 &end
#
#   78 ILE  MD1          78 ILE  HB          3.50    (#   1106:20  Unique    2.46, 3.20 A)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1248,1249,1250,
 &end
#
#   78 ILE  MG2          78 ILE  HB          3.50    (#   1107:20  Unique    2.41, 2.66 A)
 &rst
  ixpk= 1107, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1241,1242,1243,
 &end
#
#   10 ILE  MG2          10 ILE  HB          3.50    (#   1108:20  Unique    2.43, 2.68 A)
 &rst
  ixpk= 1108, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1109    10 ILE  HB          3.50    (#   1109:20  Single Ambig)
 &rst
  ixpk= 1109, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 146, 147, 149, 150, 151,
 &end
#
#   40 LEU  MDX          22 GLU  HB+         4.50    (#   1114:20  Unique    2.63, 4.85 A)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 336, 337,
 &end
#
#    0 AMB  20-2:1118    62 LYS  HB-         4.50    (#   1118:20  Single Ambig)
 &rst
  ixpk= 1118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1= 986, 987,1241,1242,1243, 164, 165, 166, 168, 169,
       170,
 igr2= 980, 981,
 &end
#
#    0 AMB  20-2:1120     0 AMB  20-1:1120   4.50    (#   1120:20  Double Ambig)
 &rst
  ixpk= 1120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1= 149, 150, 151, 146, 147, 146, 147,
 igr2=1327,1328,1327,1328,1327,1328,
 &end
#
#   78 ILE  MG2          79 THR  MG2         5.50    (#   1122:20  Unique    5.57, 7.28 A)
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1241,1242,1243,
 igr2=1260,1261,1262,
 &end
#
#    0 AMB  20-2:1123    81 ALA  MB          4.50    (#   1123:20  Single Ambig)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 146, 147, 149, 150, 151,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:1124     0 AMB  20-1:1124   3.50    (#   1124:20  Double Ambig)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,1241,1242,1243,
 igr2= 198, 199, 159, 160,
 &end
#
#   25 LEU  HG           25 LEU  HB-         4.50    (#   1125:20  Unique    2.34, 2.70 A)
 &rst
  ixpk= 1125, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 385, 386,
 &end
#
#   36 LYS  HG-          36 LYS  HD-         2.80    (#   1129:20  Unique    2.35, 2.60 A)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 566, 567,
 igr2= 569, 570,
 &end
#
#   10 ILE  MG2          81 ALA  MB          2.80    (#   1131:20  Unique    2.46, 3.76 A)
 &rst
  ixpk= 1131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 142, 143, 144,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:1136     0 AMB  20-1:1136   2.80    (#   1136:20  Double Ambig)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 645, 646, 647, 649, 650, 651, 203, 204, 205, 207,
       208, 209,
 igr2= 775, 776, 777, 310, 311, 312,
 &end
#
#    0 AMB  20-2:1137     0 AMB  20-1:1137   3.50    (#   1137:20  Double Ambig)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 807, 808, 809, 811, 812, 813, 248,
 igr2= 775, 776, 777, 310, 311, 312,
 &end
#
#   25 LEU  HG           20 THR  MG2         2.80    (#   1138:20  Unique    2.37, 2.83 A)
 &rst
  ixpk= 1138, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 310, 311, 312,
 &end
#
#    0 AMB  20-2:1139    38 VAL  MGX         3.50    (#   1139:20  Single Ambig)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 390, 391, 392, 394, 395, 396, 645, 646, 647, 649,
       650, 651,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   25 LEU  HG           38 VAL  MGX         3.50    (#   1140:20  Unique    3.76, 5.22 A)
 &rst
  ixpk= 1140, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  MGY          38 VAL  MGX         3.50    (#   1141:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  MGX          38 VAL  MGX         3.50    (#   1142:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   40 LEU  MDY          38 VAL  MGY         2.80    (#   1143:20  Unique    2.79, 6.69 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   40 LEU  MDY          38 VAL  MGY         2.80    (#   1144:20  Unique    2.79, 6.69 A)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   25 LEU  HG           38 VAL  MGY         3.50    (#   1145:20  Unique    3.76, 5.22 A)
 &rst
  ixpk= 1145, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  MGX          38 VAL  MGY         3.50    (#   1146:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:1147    10 ILE  MG2         2.80    (#   1147:20  Single Ambig)
 &rst
  ixpk= 1147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 149, 150, 151, 146, 147,
 igr2= 142, 143, 144,
 &end
#
#   16 LEU  MDX          70 ILE  MD1         3.50    (#   1149:20  Unique    2.26, 4.32 A)
 &rst
  ixpk= 1149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 250, 251, 252, 254, 255, 256,
 igr2=1121,1122,1123,
 &end
#
#   28 LEU  MDY          28 LEU  HB+         2.80    (#   1150:20  Unique    2.41, 3.32 A)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 432, 433,
 &end
#
#    0 AMB  20-2:1151     0 AMB  20-1:1151   3.50    (#   1151:20  Double Ambig)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 igr2= 432, 433, 432, 433,
 &end
#
#   65 LEU  MDY          65 LEU  HG          3.50    (#   1152:20  Unique    2.44, 2.67 A)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   50 VAL  MGX          13 LEU  MDY         3.50    (#   1153:20  Unique    2.23, 4.91 A)
 &rst
  ixpk= 1153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  MGX          13 LEU  MDX         3.50    (#   1154:20  Unique    2.23, 4.91 A)
 &rst
  ixpk= 1154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   65 LEU  MDX          61 ALA  MB          4.50    (#   1155:20  Unique    3.36, 6.57 A)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2= 970, 971, 972,
 &end
#
#   65 LEU  MDX          78 ILE  MD1         4.50    (#   1156:20  Unique    4.00, 5.90 A)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1248,1249,1250,
 &end
#
#   65 LEU  MDX          28 LEU  HB+         4.50    (#   1157:20  Unique    2.59, 4.60 A)
 &rst
  ixpk= 1157, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2= 432, 433,
 &end
#
#   65 LEU  MDX          65 LEU  HG          4.50    (#   1158:20  Unique    2.44, 2.67 A)
 &rst
  ixpk= 1158, nxpk= 20, iat=  -1,1030, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  MDX          64 ALA  MB          4.50    (#   1159:20  Unique    3.70, 5.41 A)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1017,1018,1019,
 &end
#
#   65 LEU  MDX           0 AMB  20-1:1161   4.50    (#   1161:20  Single Ambig)
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1027,1028,1027,1028,
 &end
#
#   65 LEU  MDX           0 AMB  20-1:1162   4.50    (#   1162:20  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1027,1028,1027,1028,
 &end
#
#   65 LEU  MDX          29 PHE  HA          4.50    (#   1163:20  Unique    3.12, 4.92 A)
 &rst
  ixpk= 1163, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  MDX          28 LEU  HA          4.50    (#   1164:20  Unique    4.35, 5.52 A)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  MDX          65 LEU  HA          4.50    (#   1165:20  Unique    2.16, 3.80 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   28 LEU  MDY          25 LEU  HA          4.50    (#   1166:20  Unique    2.60, 4.78 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#   16 LEU  HG           16 LEU  HA          4.50    (#   1167:20  Unique    3.34, 3.41 A)
 &rst
  ixpk= 1167, nxpk= 20, iat= 248, 243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 THR  MG2          47 ILE  HB          5.50    (#   1168:20  Unique    2.39, 3.67 A)
 &rst
  ixpk= 1168, nxpk= 20, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 219, 220, 221,
 &end
#
#    7 PRO  HD-           6 PRO  HB-         3.50    (#   1169:20  Unique    2.34, 3.64 A)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  92,  93,
 igr2=  84,  85,
 &end
#
#    7 PRO  HD-           7 PRO  HG+         3.50    (#   1170:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 1170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  92,  93,
 igr2=  95,  96,
 &end
#
#    7 PRO  HD-           7 PRO  HG-         3.50    (#   1171:20  Unique    2.33, 2.61 A)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  92,  93,
 igr2=  95,  96,
 &end
#
#   39 ARG  HD-          39 ARG  HG+         3.50    (#   1172:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 622, 623,
 igr2= 619, 620,
 &end
#
#   39 ARG  HD-          39 ARG  HG-         3.50    (#   1174:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 622, 623,
 igr2= 619, 620,
 &end
#
#    0 AMB  20-2:1175     0 AMB  20-1:1175   3.50    (#   1175:20  Double Ambig)
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 709, 710, 709, 710,
 igr2= 706, 707, 706, 707,
 &end
#
#   44 ARG  HD-           0 AMB  20-1:1176   3.50    (#   1176:20  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 709, 710,
 igr2= 706, 707, 706, 707,
 &end
#
#    8 ASN  HB+          81 ALA  MB          5.50    (#   1177:20  Unique    4.55, 6.29 A)
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 109, 110,
 igr2=1292,1293,1294,
 &end
#
#   12 PHE  HZ           47 ILE  HB          4.50    (#   1180:20  Unique    2.75, 2.94 A)
 &rst
  ixpk= 1180, nxpk= 20, iat= 186, 756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 ILE  HN           77 LYS  HB+         5.50    (#   1181:20  Unique    2.83, 3.93 A)
 &rst
  ixpk= 1181, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1217,1218,
 &end
#
#   45 HIS  HB-          18 GLU  HA          4.50    (#   1184:20  Unique    2.35, 3.09 A)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   45 HIS  HB+          18 GLU  HA          4.50    (#   1185:20  Unique    2.35, 3.09 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   42 PRO  HG-          42 PRO  HA          4.50    (#   1190:20  Unique    2.74, 3.84 A)
 &rst
  ixpk= 1190, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 675, 676,
 &end
#
#   42 PRO  HB-          42 PRO  HA          3.50    (#   1191:20  Unique    2.31, 2.56 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 678, 679,
 &end
#
#   76 MET  ME           70 ILE  HA          4.50    (#   1192:20  Unique    4.49, 5.39 A)
 &rst
  ixpk= 1192, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1207,1208,1209,
 &end
#
#    0 AMB  20-2:1193    70 ILE  HA          2.80    (#   1193:20  Single Ambig)
 &rst
  ixpk= 1193, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1118,1119,1112,
 &end
#
#    0 AMB  20-2:1195    17 PRO  HA          3.50    (#   1195:20  Single Ambig)
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 281, 282, 281, 282,
 &end
#
#    0 AMB  20-2:1196    17 PRO  HA          4.50    (#   1196:20  Single Ambig)
 &rst
  ixpk= 1196, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 278, 279, 278, 279, 245, 246,
 &end
#
#   22 GLU  HB+          22 GLU  HA          2.80    (#   1197:20  Unique    2.51, 2.80 A)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 336, 337,
 &end
#
#   23 MET  HB+          23 MET  HA          2.80    (#   1200:20  Unique    2.42, 2.77 A)
 &rst
  ixpk= 1200, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 351, 352,
 &end
#
#   23 MET  HB-          23 MET  HA          2.80    (#   1201:20  Unique    2.42, 2.77 A)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 351, 352,
 &end
#
#    0 AMB  20-2:1202    24 MET  HA          2.80    (#   1202:20  Single Ambig)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 422, 423, 424, 368, 369,
 &end
#
#    9 GLN  HB-           9 GLN  HA          3.50    (#   1203:20  Unique    2.33, 2.41 A)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 123, 124,
 &end
#
#    0 AMB  20-2:1205     0 AMB  20-1:1205   3.50    (#   1205:20  Double Ambig)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1049,1050,1002,1003,
 igr2=1044,1000,
 &end
#
#    0 AMB  20-2:1206     0 AMB  20-1:1206   2.80    (#   1206:20  Double Ambig)
 &rst
  ixpk= 1206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 415, 416, 415, 416, 296, 297, 296, 297,
 igr2= 413, 291,
 &end
#
#   55 GLU  HG-          55 GLU  HA          3.50    (#   1207:20  Unique    2.59, 3.08 A)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#    0 AMB  20-2:1208    56 LEU  HA          2.80    (#   1208:20  Single Ambig)
 &rst
  ixpk= 1208, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 899, 900, 902,
 &end
#
#    0 AMB  20-2:1210     0 AMB  20-1:1210   3.50    (#   1210:20  Double Ambig)
 &rst
  ixpk= 1210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1200,1201, 123, 124,
 igr2=1198, 882,
 &end
#
#   66 GLN  HB-          66 GLN  HA          3.50    (#   1211:20  Unique    2.47, 2.84 A)
 &rst
  ixpk= 1211, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1046,1047,
 &end
#
#   66 GLN  HG+          66 GLN  HA          3.50    (#   1212:20  Unique    2.22, 3.18 A)
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1049,1050,
 &end
#
#    0 AMB  20-2:1213    19 GLU  HA          3.50    (#   1213:20  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 296, 297, 296, 297,
 &end
#
#   19 GLU  HB-          19 GLU  HA          2.80    (#   1214:20  Unique    2.42, 2.72 A)
 &rst
  ixpk= 1214, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 293, 294,
 &end
#
#   19 GLU  HB+          19 GLU  HA          2.80    (#   1215:20  Unique    2.42, 2.72 A)
 &rst
  ixpk= 1215, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 293, 294,
 &end
#
#   76 MET  ME           25 LEU  HA          4.50    (#   1216:20  Unique    4.01, 4.85 A)
 &rst
  ixpk= 1216, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1207,1208,1209,
 &end
#
#    0 AMB  20-2:1220    31 GLN  HA          3.50    (#   1220:20  Single Ambig)
 &rst
  ixpk= 1220, nxpk= 20, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 488, 489, 488, 489,
 &end
#
#   31 GLN  HB+          31 GLN  HA          2.80    (#   1221:20  Unique    2.36, 2.72 A)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 485, 486,
 &end
#
#   37 GLU  HB+          37 GLU  HA          2.80    (#   1222:20  Unique    2.52, 2.83 A)
 &rst
  ixpk= 1222, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 585, 586,
 &end
#
#   62 LYS  HB+          60 ALA  HA          5.50    (#   1223:20  Unique    5.01, 5.87 A)
 &rst
  ixpk= 1223, nxpk= 20, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 980, 981,
 &end
#
#   42 PRO  HB-          42 PRO  HD-         4.50    (#   1224:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 1224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 678, 679,
 igr2= 672, 673,
 &end
#
#   42 PRO  HG-          42 PRO  HD+         3.50    (#   1225:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 672, 673,
 &end
#
#   42 PRO  HB-          42 PRO  HD+         5.50    (#   1226:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 1226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 678, 679,
 igr2= 672, 673,
 &end
#
#   33 PRO  HG-          33 PRO  HD+         4.50    (#   1227:20  Unique    2.31, 2.60 A)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 522, 523,
 igr2= 519, 520,
 &end
#
#    6 PRO  HG+           6 PRO  HD+         2.80    (#   1228:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 1228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  81,  82,
 igr2=  78,  79,
 &end
#
#    0 AMB  20-2:1230     0 AMB  20-1:1230   3.50    (#   1230:20  Double Ambig)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1145,1146,1145,1146,1148,1149,
 igr2=1142,1143,1142,1143,1142,1143,
 &end
#
#   24 MET  HB-          20 THR  HA          3.50    (#   1233:20  Unique    3.40, 3.99 A)
 &rst
  ixpk= 1233, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 368, 369,
 &end
#
#    0 AMB  20-2:1235    72 PRO  HA          2.80    (#   1235:20  Single Ambig)
 &rst
  ixpk= 1235, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1148,1149,1145,1146,1145,1146,
 &end
#
#   44 ARG  HN           42 PRO  HA          4.50    (#   1236:20  Unique    3.41, 4.11 A)
 &rst
  ixpk= 1236, nxpk= 20, iat= 699, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ASN  HA           42 PRO  HA          4.50    (#   1237:20  Unique    4.23, 4.37 A)
 &rst
  ixpk= 1237, nxpk= 20, iat= 687, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HG+          42 PRO  HA          3.50    (#   1239:20  Unique    2.74, 3.84 A)
 &rst
  ixpk= 1239, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 675, 676,
 &end
#
#   42 PRO  HD+          42 PRO  HA          5.50    (#   1240:20  Unique    3.37, 3.79 A)
 &rst
  ixpk= 1240, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 672, 673,
 &end
#
#    0 AMB  20-2:1241     0 AMB  20-1:1241   4.50    (#   1241:20  Double Ambig)
 &rst
  ixpk= 1241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1108,1213,
 igr2=1200,1201,1200,1201,
 &end
#
#   50 VAL  HA           50 VAL  HB          5.50    (#   1244:20  Unique    3.03, 3.05 A)
 &rst
  ixpk= 1244, nxpk= 20, iat= 803, 805, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:1246    76 MET  HB-         4.50    (#   1246:20  Single Ambig)
 &rst
  ixpk= 1246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1108,1213,
 igr2=1200,1201,
 &end
#
#   33 PRO  HG-          33 PRO  HA          4.50    (#   1249:20  Unique    2.84, 3.78 A)
 &rst
  ixpk= 1249, nxpk= 20, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 523,
 &end
#
#   24 MET  HN           24 MET  HB-         3.50    (#   1250:20  Unique    2.47, 3.11 A)
 &rst
  ixpk= 1250, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 368, 369,
 &end
#
#   24 MET  HG+          24 MET  HB+         4.50    (#   1251:20  Unique    2.33, 2.65 A)
 &rst
  ixpk= 1251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 371, 372,
 igr2= 368, 369,
 &end
#
#    9 GLN  HA            0 AMB  20-1:1252   3.50    (#   1252:20  Single Ambig)
 &rst
  ixpk= 1252, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 126, 127, 126, 127,
 &end
#
#    2 GLN  HB-           2 GLN  HG+         2.80    (#   1253:20  Unique    2.30, 2.72 A)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  18,  19,
 igr2=  21,  22,
 &end
#
#    0 AMB  20-2:1254     0 AMB  20-1:1254   2.80    (#   1254:20  Double Ambig)
 &rst
  ixpk= 1254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  18,  19, 123, 124,
 igr2=  21,  22, 126, 127, 126, 127,
 &end
#
#    6 PRO  HA            7 PRO  HD+         3.50    (#   1256:20  Unique    2.12, 2.49 A)
 &rst
  ixpk= 1256, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  92,  93,
 &end
#
#    6 PRO  HB+           7 PRO  HD+         4.50    (#   1258:20  Unique    2.34, 3.64 A)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  84,  85,
 igr2=  92,  93,
 &end
#
#    7 PRO  HA            7 PRO  HD-         5.50    (#   1259:20  Unique    3.45, 3.72 A)
 &rst
  ixpk= 1259, nxpk= 20, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  92,  93,
 &end
#
#    7 PRO  HB-           7 PRO  HD-         5.50    (#   1260:20  Unique    2.86, 3.70 A)
 &rst
  ixpk= 1260, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  98,  99,
 igr2=  92,  93,
 &end
#
#    7 PRO  HA            7 PRO  HD+         5.50    (#   1261:20  Unique    3.45, 3.72 A)
 &rst
  ixpk= 1261, nxpk= 20, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  92,  93,
 &end
#
#    7 PRO  HB-           7 PRO  HD+         5.50    (#   1262:20  Unique    2.86, 3.70 A)
 &rst
  ixpk= 1262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  98,  99,
 igr2=  92,  93,
 &end
#
#    0 AMB  20-2:1263     0 AMB  20-1:1263   3.50    (#   1263:20  Double Ambig)
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  95,  96,  84,  85,
 igr2=  92,  93,  92,  93,
 &end
#
#   42 PRO  HA           41 VAL  MGX         5.50    (#   1264:20  Unique    4.63, 6.35 A)
 &rst
  ixpk= 1264, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   41 VAL  HA           41 VAL  MGX         2.80    (#   1265:20  Unique    2.40, 3.14 A)
 &rst
  ixpk= 1265, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   37 GLU  HN           38 VAL  MGX         4.50    (#   1267:20  Unique    4.68, 6.55 A)
 &rst
  ixpk= 1267, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   35 PHE  HD           38 VAL  MGX         4.50    (#   1268:20  Unique    4.13, 7.37 A)
 &rst
  ixpk= 1268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 547, 555,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   51 GLU  HN           38 VAL  MGX         4.50    (#   1270:20  Unique    3.89, 5.97 A)
 &rst
  ixpk= 1270, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   22 GLU  HN           38 VAL  MGY         5.50    (#   1271:20  Unique    5.18, 7.02 A)
 &rst
  ixpk= 1271, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   51 GLU  HN           38 VAL  MGY         4.50    (#   1272:20  Unique    3.89, 5.97 A)
 &rst
  ixpk= 1272, nxpk= 20, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:1273    38 VAL  MGY         2.80    (#   1273:20  Single Ambig)
 &rst
  ixpk= 1273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 339, 340, 339, 340,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  HB           38 VAL  MGY         2.80    (#   1274:20  Unique    2.37, 2.65 A)
 &rst
  ixpk= 1274, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:1275    38 VAL  MGY         3.50    (#   1275:20  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 588, 589, 640, 641, 616, 617,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   40 LEU  HG           38 VAL  MGY         4.50    (#   1276:20  Unique    2.81, 5.63 A)
 &rst
  ixpk= 1276, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  MGY          38 VAL  MGY         3.50    (#   1277:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:1278    38 VAL  MGX         3.50    (#   1278:20  Single Ambig)
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 339, 340, 339, 340,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  HB           38 VAL  MGX         2.80    (#   1279:20  Unique    2.37, 2.65 A)
 &rst
  ixpk= 1279, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    6 PRO  HG-           6 PRO  HD+         2.80    (#   1281:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 1281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  81,  82,
 igr2=  78,  79,
 &end
#
#    0 AMB  20-2:1283    54 THR  MG2         4.50    (#   1283:20  Single Ambig)
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 921, 922, 921, 922,
 igr2= 872, 873, 874,
 &end
#
#    0 AMB  20-2:1284    54 THR  MG2         4.50    (#   1284:20  Single Ambig)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1= 899, 900, 902, 884, 885, 884, 885,
 igr2= 872, 873, 874,
 &end
#
#   56 LEU  HB-          54 THR  MG2         4.50    (#   1285:20  Unique    4.57, 6.22 A)
 &rst
  ixpk= 1285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 899, 900,
 igr2= 872, 873, 874,
 &end
#
#   53 THR  MG2          54 THR  MG2         2.80    (#   1286:20  Unique    2.24, 4.16 A)
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 858, 859, 860,
 igr2= 872, 873, 874,
 &end
#
#   61 ALA  HA           64 ALA  MB          3.50    (#   1287:20  Unique    2.43, 3.31 A)
 &rst
  ixpk= 1287, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1017,1018,1019,
 &end
#
#   63 GLU  HA           64 ALA  MB          5.50    (#   1288:20  Unique    5.70, 6.07 A)
 &rst
  ixpk= 1288, nxpk= 20, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1017,1018,1019,
 &end
#
#   65 LEU  HG           64 ALA  MB          3.50    (#   1289:20  Unique    2.59, 3.38 A)
 &rst
  ixpk= 1289, nxpk= 20, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1017,1018,1019,
 &end
#
#    0 AMB  20-2:1290    53 THR  MG2         4.50    (#   1290:20  Single Ambig)
 &rst
  ixpk= 1290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 572, 573, 572, 573,
 igr2= 858, 859, 860,
 &end
#
#   17 PRO  HD+          20 THR  MG2         4.50    (#   1291:20  Unique    3.89, 5.52 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262,
 igr2= 310, 311, 312,
 &end
#
#   17 PRO  HD-          20 THR  MG2         5.50    (#   1292:20  Unique    3.89, 5.52 A)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 261, 262,
 igr2= 310, 311, 312,
 &end
#
#   24 MET  HB-          20 THR  MG2         2.80    (#   1293:20  Unique    2.46, 3.83 A)
 &rst
  ixpk= 1293, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 368, 369,
 igr2= 310, 311, 312,
 &end
#
#   25 LEU  MDY          20 THR  MG2         2.80    (#   1294:20  Unique    2.28, 3.99 A)
 &rst
  ixpk= 1294, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 310, 311, 312,
 &end
#
#   24 MET  HB+          20 THR  MG2         4.50    (#   1295:20  Unique    2.46, 3.83 A)
 &rst
  ixpk= 1295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 368, 369,
 igr2= 310, 311, 312,
 &end
#
#   49 PHE  HA           50 VAL  MGX         4.50    (#   1297:20  Unique    3.20, 5.47 A)
 &rst
  ixpk= 1297, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HB+          50 VAL  MGX         5.50    (#   1299:20  Unique    3.17, 4.92 A)
 &rst
  ixpk= 1299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 451, 452,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   49 PHE  HB+          50 VAL  MGX         5.50    (#   1300:20  Unique    4.92, 6.68 A)
 &rst
  ixpk= 1300, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 785, 786,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   29 PHE  HB-          50 VAL  MGX         4.50    (#   1301:20  Unique    3.17, 4.92 A)
 &rst
  ixpk= 1301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 451, 452,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  HB           50 VAL  MGX         4.50    (#   1302:20  Unique    2.35, 5.65 A)
 &rst
  ixpk= 1302, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:1303    50 VAL  MGX         3.50    (#   1303:20  Single Ambig)
 &rst
  ixpk= 1303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 390, 391, 392, 394, 395, 396, 159, 160,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  HB           50 VAL  MGX         2.80    (#   1304:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 1304, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:1305    50 VAL  MGX         3.50    (#   1305:20  Single Ambig)
 &rst
  ixpk= 1305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 198, 199, 385, 386, 159, 160,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  MGX          50 VAL  MGX         2.80    (#   1306:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  MGY          50 VAL  MGX         3.50    (#   1307:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   13 LEU  MDY          50 VAL  MGX         2.80    (#   1308:20  Unique    2.23, 4.91 A)
 &rst
  ixpk= 1308, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 203, 204, 205, 207, 208, 209,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   75 ALA  MB           75 ALA  HA          2.80    (#   1311:20  Unique    2.43, 2.67 A)
 &rst
  ixpk= 1311, nxpk= 20, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1190,1191,1192,
 &end
#
#    0 AMB  20-2:1315    17 PRO  HD-         4.50    (#   1315:20  Single Ambig)
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 264, 265, 264, 265,
 igr2= 261, 262,
 &end
#
#    0 AMB  20-2:1316     0 AMB  20-1:1316   4.50    (#   1316:20  Double Ambig)
 &rst
  ixpk= 1316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 264, 265, 264, 265,
 igr2= 261, 262, 261, 262,
 &end
#
#   70 ILE  MG2          17 PRO  HD+         4.50    (#   1317:20  Unique    2.35, 3.69 A)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1114,1115,1116,
 igr2= 261, 262,
 &end
#
#   70 ILE  MG2          17 PRO  HD-         4.50    (#   1318:20  Unique    2.35, 3.69 A)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1114,1115,1116,
 igr2= 261, 262,
 &end
#
#   16 LEU  MDX          17 PRO  HD-         5.50    (#   1319:20  Unique    3.67, 5.49 A)
 &rst
  ixpk= 1319, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 250, 251, 252, 254, 255, 256,
 igr2= 261, 262,
 &end
#
#   16 LEU  MDX          17 PRO  HD+         5.50    (#   1320:20  Unique    3.67, 5.49 A)
 &rst
  ixpk= 1320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 250, 251, 252, 254, 255, 256,
 igr2= 261, 262,
 &end
#
#   69 LYS  HE+          75 ALA  MB          3.50    (#   1323:20  Unique    2.44, 4.46 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1099,1100,
 igr2=1190,1191,1192,
 &end
#
#   69 LYS  HD+          75 ALA  MB          3.50    (#   1325:20  Unique    2.31, 3.78 A)
 &rst
  ixpk= 1325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1096,1097,
 igr2=1190,1191,1192,
 &end
#
#   69 LYS  HD-          75 ALA  MB          3.50    (#   1326:20  Unique    2.31, 3.78 A)
 &rst
  ixpk= 1326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1096,1097,
 igr2=1190,1191,1192,
 &end
#
#   11 LEU  HN           81 ALA  MB          5.50    (#   1330:20  Unique    3.51, 4.62 A)
 &rst
  ixpk= 1330, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1292,1293,1294,
 &end
#
#    1 ALA  HN            1 ALA  MB          4.50    (#   1331:20  Unique    1.87, 7.10 A)
 &rst
  ixpk= 1331, nxpk= 20, iat=   2,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=   8,   9,  10,
 &end
#
#   10 ILE  HN           81 ALA  MB          5.50    (#   1332:20  Unique    4.10, 5.17 A)
 &rst
  ixpk= 1332, nxpk= 20, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1292,1293,1294,
 &end
#
#   12 PHE  HD           81 ALA  MB          5.50    (#   1334:20  Unique    4.69, 6.19 A)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 182, 190,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:1335    81 ALA  MB          5.50    (#   1335:20  Single Ambig)
 &rst
  ixpk= 1335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1322,1300,
 igr2=1292,1293,1294,
 &end
#
#    0 AMB  20-2:1336    81 ALA  MB          3.50    (#   1336:20  Single Ambig)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 178, 179,1333,1334,1333,1334,
 igr2=1292,1293,1294,
 &end
#
#   12 PHE  HB-          81 ALA  MB          4.50    (#   1337:20  Unique    2.49, 4.17 A)
 &rst
  ixpk= 1337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 178, 179,
 igr2=1292,1293,1294,
 &end
#
#    2 GLN  HG+           1 ALA  MB          4.50    (#   1338:20  Unique    3.12, 5.77 A)
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  21,  22,
 igr2=   8,   9,  10,
 &end
#
#    0 AMB  20-2:1340    81 ALA  MB          2.80    (#   1340:20  Single Ambig)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 140,1324,1325,1324,1325,
 igr2=1292,1293,1294,
 &end
#
#   67 GLY  HA+          75 ALA  MB          3.50    (#   1342:20  Unique    2.09, 3.86 A)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1061,1062,
 igr2=1190,1191,1192,
 &end
#
#    0 AMB  20-2:1343    10 ILE  MG2         7.00    (#   1343:20  Single Ambig)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 174, 119,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1344    10 ILE  MG2         5.50    (#   1344:20  Single Ambig)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 832,1298,
 igr2= 142, 143, 144,
 &end
#
#    8 ASN  HD2+         10 ILE  MG2         5.50    (#   1345:20  Unique    3.91, 5.08 A)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 114, 115,
 igr2= 142, 143, 144,
 &end
#
#   10 ILE  HA           10 ILE  MG2         3.50    (#   1346:20  Unique    2.46, 3.09 A)
 &rst
  ixpk= 1346, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1347    10 ILE  MG2         3.50    (#   1347:20  Single Ambig)
 &rst
  ixpk= 1347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 785, 786,1333,1334,1333,1334,
 igr2= 142, 143, 144,
 &end
#
#   49 PHE  HB-          10 ILE  MG2         3.50    (#   1348:20  Unique    3.08, 4.48 A)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 785, 786,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1349    10 ILE  MG2         5.50    (#   1349:20  Single Ambig)
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 126, 127, 126, 127,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1350    10 ILE  MG2         2.80    (#   1350:20  Single Ambig)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 140,1324,1325,1324,1325,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1351    10 ILE  MG2         4.50    (#   1351:20  Single Ambig)
 &rst
  ixpk= 1351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1330,1331,1330,1331,
 igr2= 142, 143, 144,
 &end
#
#    0 AMB  20-2:1352    10 ILE  MG2         2.80    (#   1352:20  Single Ambig)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1292,1293,1294,1327,1328,1327,1328,
 igr2= 142, 143, 144,
 &end
#
#   29 PHE  HA           61 ALA  MB          5.50    (#   1353:20  Unique    4.09, 5.22 A)
 &rst
  ixpk= 1353, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 970, 971, 972,
 &end
#
#   60 ALA  HA           61 ALA  MB          7.00    (#   1354:20  Unique    5.82, 6.11 A)
 &rst
  ixpk= 1354, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 970, 971, 972,
 &end
#
#   32 PHE  HB-          61 ALA  MB          4.50    (#   1355:20  Unique    3.43, 4.78 A)
 &rst
  ixpk= 1355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 502, 503,
 igr2= 970, 971, 972,
 &end
#
#   58 SER  HA           61 ALA  MB          4.50    (#   1356:20  Unique    2.57, 3.45 A)
 &rst
  ixpk= 1356, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 970, 971, 972,
 &end
#
#   61 ALA  HA           61 ALA  MB          2.80    (#   1357:20  Unique    2.42, 2.65 A)
 &rst
  ixpk= 1357, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 970, 971, 972,
 &end
#
#    0 AMB  20-2:1358    61 ALA  MB          3.50    (#   1358:20  Single Ambig)
 &rst
  ixpk= 1358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1017,1018,1019, 960, 961, 962,
 igr2= 970, 971, 972,
 &end
#
#   66 GLN  HE2+         78 ILE  MG2         4.50    (#   1359:20  Unique    4.32, 5.62 A)
 &rst
  ixpk= 1359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1054,1055,
 igr2=1241,1242,1243,
 &end
#
#   62 LYS  HN           78 ILE  MG2         4.50    (#   1360:20  Unique    3.92, 5.17 A)
 &rst
  ixpk= 1360, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1241,1242,1243,
 &end
#
#   65 LEU  HN           78 ILE  MG2         5.50    (#   1361:20  Unique    5.35, 6.58 A)
 &rst
  ixpk= 1361, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1241,1242,1243,
 &end
#
#    0 AMB  20-2:1362    78 ILE  MG2         5.50    (#   1362:20  Single Ambig)
 &rst
  ixpk= 1362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1042,1013,
 igr2=1241,1242,1243,
 &end
#
#    0 AMB  20-2:1366    78 ILE  MG2         5.50    (#   1366:20  Single Ambig)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1044, 935, 936,1000,
 igr2=1241,1242,1243,
 &end
#
#    0 AMB  20-2:1367    78 ILE  MG2         4.50    (#   1367:20  Single Ambig)
 &rst
  ixpk= 1367, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 162, 980, 981,
 igr2=1241,1242,1243,
 &end
#
#   11 LEU  HB+          78 ILE  MG2         4.50    (#   1368:20  Unique    2.37, 3.97 A)
 &rst
  ixpk= 1368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 159, 160,
 igr2=1241,1242,1243,
 &end
#
#    0 AMB  20-2:1369    78 ILE  MG2         2.80    (#   1369:20  Single Ambig)
 &rst
  ixpk= 1369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1239,1245,1246,
 igr2=1241,1242,1243,
 &end
#
#   62 LYS  HB-          78 ILE  MG2         3.50    (#   1370:20  Unique    2.32, 3.89 A)
 &rst
  ixpk= 1370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 980, 981,
 igr2=1241,1242,1243,
 &end
#
#   11 LEU  HB-          78 ILE  MG2         3.50    (#   1371:20  Unique    2.37, 3.97 A)
 &rst
  ixpk= 1371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 159, 160,
 igr2=1241,1242,1243,
 &end
#
#    0 AMB  20-2:1372    78 ILE  MG2         3.50    (#   1372:20  Single Ambig)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 983, 984, 983, 984,
 igr2=1241,1242,1243,
 &end
#
#   58 SER  HN           60 ALA  MB          5.50    (#   1373:20  Unique    5.33, 6.26 A)
 &rst
  ixpk= 1373, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 960, 961, 962,
 &end
#
#   59 ASN  HA           60 ALA  MB          5.50    (#   1376:20  Unique    5.84, 6.13 A)
 &rst
  ixpk= 1376, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 960, 961, 962,
 &end
#
#    0 AMB  20-2:1377    60 ALA  MB          4.50    (#   1377:20  Single Ambig)
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 946, 947, 946, 947,
 igr2= 960, 961, 962,
 &end
#
#   61 ALA  HA           60 ALA  MB          4.50    (#   1378:20  Unique    4.39, 4.93 A)
 &rst
  ixpk= 1378, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 960, 961, 962,
 &end
#
#    0 AMB  20-2:1379    60 ALA  MB          4.50    (#   1379:20  Single Ambig)
 &rst
  ixpk= 1379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1005,1006, 921, 922, 921, 922,
 igr2= 960, 961, 962,
 &end
#
#   63 GLU  HG-          60 ALA  MB          4.50    (#   1380:20  Unique    3.65, 6.16 A)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1005,1006,
 igr2= 960, 961, 962,
 &end
#
#   63 GLU  HB-          60 ALA  MB          4.50    (#   1381:20  Unique    4.26, 5.87 A)
 &rst
  ixpk= 1381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1002,1003,
 igr2= 960, 961, 962,
 &end
#
#   61 ALA  MB           60 ALA  MB          5.50    (#   1382:20  Unique    4.30, 5.92 A)
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 970, 971, 972,
 igr2= 960, 961, 962,
 &end
#
#   16 LEU  HA           70 ILE  MG2         4.50    (#   1384:20  Unique    4.30, 5.33 A)
 &rst
  ixpk= 1384, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1114,1115,1116,
 &end
#
#   17 PRO  HD+          70 ILE  MG2         4.50    (#   1385:20  Unique    2.35, 3.69 A)
 &rst
  ixpk= 1385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262,
 igr2=1114,1115,1116,
 &end
#
#   17 PRO  HD-          70 ILE  MG2         4.50    (#   1386:20  Unique    2.35, 3.69 A)
 &rst
  ixpk= 1386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262,
 igr2=1114,1115,1116,
 &end
#
#   76 MET  HB-          70 ILE  MG2         5.50    (#   1388:20  Unique    5.51, 6.75 A)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1200,1201,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:1389    70 ILE  MG2         2.80    (#   1389:20  Single Ambig)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1112,1118,1119,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:1390    70 ILE  MG2         3.50    (#   1390:20  Single Ambig)
 &rst
  ixpk= 1390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 264, 265, 264, 265,
 igr2=1114,1115,1116,
 &end
#
#   76 MET  ME           70 ILE  MG2         4.50    (#   1391:20  Unique    4.63, 5.63 A)
 &rst
  ixpk= 1391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1207,1208,1209,
 igr2=1114,1115,1116,
 &end
#
#   70 ILE  HG1+         70 ILE  MG2         3.50    (#   1392:20  Unique    2.47, 3.48 A)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1118,1119,
 igr2=1114,1115,1116,
 &end
#
#   25 LEU  MDX          70 ILE  MG2         4.50    (#   1394:20  Unique    3.77, 6.82 A)
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2=1114,1115,1116,
 &end
#
#   16 LEU  MDX          70 ILE  MG2         4.50    (#   1395:20  Unique    4.38, 6.92 A)
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 250, 251, 252, 254, 255, 256,
 igr2=1114,1115,1116,
 &end
#
#   28 LEU  MDY          70 ILE  MG2         5.50    (#   1396:20  Unique    3.11, 6.23 A)
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2=1114,1115,1116,
 &end
#
#   68 PHE  HN           67 GLY  HA+         4.50    (#   1397:20  Unique    3.26, 3.38 A)
 &rst
  ixpk= 1397, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1061,1062,
 &end
#
#   68 PHE  HN           67 GLY  HA-         4.50    (#   1398:20  Unique    3.26, 3.38 A)
 &rst
  ixpk= 1398, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1061,1062,
 &end
#
#   34 GLY  HN           34 GLY  HA+         3.50    (#   1420:20  Unique    2.44, 2.74 A)
 &rst
  ixpk= 1420, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 534, 535,
 &end
#
#   57 GLN  HE2-         34 GLY  HA+         5.50    (#   1421:20  Unique    2.21, 3.67 A)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 926, 927,
 igr2= 534, 535,
 &end
#
#   11 LEU  MDX          11 LEU  HB+         4.50    (#   1423:20  Unique    2.30, 3.33 A)
 &rst
  ixpk= 1423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 164, 165, 166, 168, 169, 170,
 igr2= 159, 160,
 &end
#
#    0 AMB  20-2:1424     0 AMB  20-1:1424   4.50    (#   1424:20  Double Ambig)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1241,1242,1243, 203, 204, 205, 207, 208, 209,
 igr2= 159, 160, 159, 160,
 &end
#
#   11 LEU  HN           11 LEU  HB-         5.50    (#   1425:20  Unique    2.35, 3.10 A)
 &rst
  ixpk= 1425, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 159, 160,
 &end
#
#   12 PHE  HN           11 LEU  HB-         5.50    (#   1426:20  Unique    2.39, 3.36 A)
 &rst
  ixpk= 1426, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 159, 160,
 &end
#
#    0 AMB  20-2:1427     0 AMB  20-1:1427   4.50    (#   1427:20  Double Ambig)
 &rst
  ixpk= 1427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 157, 196,
 igr2= 159, 160, 198, 199,
 &end
#
#   25 LEU  MDY          13 LEU  HB-         4.50    (#   1428:20  Unique    3.92, 5.42 A)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 198, 199,
 &end
#
#    0 AMB  20-2:1429     0 AMB  20-1:1429   4.50    (#   1429:20  Double Ambig)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 807, 808, 809, 811, 812, 813, 248,
 igr2= 198, 199, 198, 199,
 &end
#
#   13 LEU  MDX          13 LEU  HB+         3.50    (#   1430:20  Unique    2.36, 3.31 A)
 &rst
  ixpk= 1430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 203, 204, 205, 207, 208, 209,
 igr2= 198, 199,
 &end
#
#   48 ALA  MB           13 LEU  HB+         4.50    (#   1431:20  Unique    2.32, 3.75 A)
 &rst
  ixpk= 1431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 775, 776, 777,
 igr2= 198, 199,
 &end
#
#    0 AMB  20-2:1433    14 THR  HB          4.50    (#   1433:20  Single Ambig)
 &rst
  ixpk= 1433, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 241,1213,
 &end
#
#    0 AMB  20-2:1435    14 THR  HB          4.50    (#   1435:20  Single Ambig)
 &rst
  ixpk= 1435, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 229,  16,1258,
 &end
#
#   80 PHE  HN           79 THR  HB          4.50    (#   1439:20  Unique    2.94, 3.58 A)
 &rst
  ixpk= 1439, nxpk= 20, iat=1268,1258, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1440     0 AMB  20-1:1440   5.50    (#   1440:20  Double Ambig)
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 457, 461, 381,
 igr2= 432, 433, 432, 433,
 &end
#
#   74 HIS  HD2          70 ILE  MD1         7.00    (#   1441:20  Unique    5.50, 6.72 A)
 &rst
  ixpk= 1441, nxpk= 20, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1121,1122,1123,
 &end
#
#   47 ILE  HA           47 ILE  MD1         4.50    (#   1442:20  Unique    4.07, 4.73 A)
 &rst
  ixpk= 1442, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 765, 766, 767,
 &end
#
#   75 ALA  HA           70 ILE  MD1         5.50    (#   1444:20  Unique    4.96, 5.79 A)
 &rst
  ixpk= 1444, nxpk= 20, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1121,1122,1123,
 &end
#
#   16 LEU  HA           70 ILE  MD1         4.50    (#   1445:20  Unique    2.24, 2.89 A)
 &rst
  ixpk= 1445, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1121,1122,1123,
 &end
#
#   17 PRO  HD+          70 ILE  MD1         4.50    (#   1446:20  Unique    2.30, 3.14 A)
 &rst
  ixpk= 1446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262,
 igr2=1121,1122,1123,
 &end
#
#   17 PRO  HD-          70 ILE  MD1         5.50    (#   1447:20  Unique    2.30, 3.14 A)
 &rst
  ixpk= 1447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 261, 262,
 igr2=1121,1122,1123,
 &end
#
#   76 MET  HG-          70 ILE  MD1         4.50    (#   1448:20  Unique    2.47, 4.37 A)
 &rst
  ixpk= 1448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1203,1204,
 igr2=1121,1122,1123,
 &end
#
#   40 LEU  HB-          47 ILE  MD1         7.00    (#   1450:20  Unique    5.45, 7.63 A)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 640, 641,
 igr2= 765, 766, 767,
 &end
#
#   76 MET  HB+          70 ILE  MD1         4.50    (#   1452:20  Unique    2.27, 4.01 A)
 &rst
  ixpk= 1452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1200,1201,
 igr2=1121,1122,1123,
 &end
#
#   76 MET  HB-          70 ILE  MD1         4.50    (#   1453:20  Unique    2.27, 4.01 A)
 &rst
  ixpk= 1453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1200,1201,
 igr2=1121,1122,1123,
 &end
#
#    0 AMB  20-2:1454     0 AMB  20-1:1454   2.80    (#   1454:20  Double Ambig)
 &rst
  ixpk= 1454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=1118,1119, 390, 391, 392, 394, 395, 396,
 igr2=1121,1122,1123, 432, 433,
 &end
#
#   70 ILE  HG1+         70 ILE  MD1         2.80    (#   1455:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 1455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1118,1119,
 igr2=1121,1122,1123,
 &end
#
#   41 VAL  HB           47 ILE  MD1         3.50    (#   1456:20  Unique    2.23, 3.13 A)
 &rst
  ixpk= 1456, nxpk= 20, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 765, 766, 767,
 &end
#
#   44 ARG  HB+          47 ILE  MD1         3.50    (#   1457:20  Unique    2.31, 3.13 A)
 &rst
  ixpk= 1457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 703, 704,
 igr2= 765, 766, 767,
 &end
#
#    0 AMB  20-2:1458    47 ILE  MD1         2.80    (#   1458:20  Single Ambig)
 &rst
  ixpk= 1458, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 703, 704, 756,
 igr2= 765, 766, 767,
 &end
#
#    0 AMB  20-2:1459    47 ILE  MD1         3.50    (#   1459:20  Single Ambig)
 &rst
  ixpk= 1459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 706, 707, 706, 707,
 igr2= 765, 766, 767,
 &end
#
#   47 ILE  HG1-         47 ILE  MD1         2.80    (#   1460:20  Unique    2.29, 2.64 A)
 &rst
  ixpk= 1460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 762, 763,
 igr2= 765, 766, 767,
 &end
#
#   28 LEU  HG           28 LEU  HB+         3.50    (#   1462:20  Unique    2.51, 2.79 A)
 &rst
  ixpk= 1462, nxpk= 20, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 432, 433,
 &end
#
#   76 MET  ME           70 ILE  MD1         2.80    (#   1463:20  Unique    2.27, 3.74 A)
 &rst
  ixpk= 1463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1207,1208,1209,
 igr2=1121,1122,1123,
 &end
#
#   41 VAL  MGX          47 ILE  MD1         2.80    (#   1464:20  Unique    2.29, 4.17 A)
 &rst
  ixpk= 1464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 661, 662, 663, 665, 666, 667,
 igr2= 765, 766, 767,
 &end
#
#   54 THR  HB           56 LEU  HB+         4.50    (#   1473:20  Unique    2.99, 4.01 A)
 &rst
  ixpk= 1473, nxpk= 20, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 899, 900,
 &end
#
#   47 ILE  HG1-         47 ILE  HB          4.50    (#   1479:20  Unique    2.31, 2.53 A)
 &rst
  ixpk= 1479, nxpk= 20, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 762, 763,
 &end
#
#   75 ALA  HA           69 LYS  HE-         5.50    (#   1481:20  Unique    4.07, 4.82 A)
 &rst
  ixpk= 1481, nxpk= 20, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:1482     0 AMB  20-1:1482   4.50    (#   1482:20  Double Ambig)
 &rst
  ixpk= 1482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1188,  87,  62,
 igr2=1099,1100, 109, 110,
 &end
#
#    0 AMB  20-2:1483     0 AMB  20-1:1483   4.50    (#   1483:20  Double Ambig)
 &rst
  ixpk= 1483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 862, 834,
 igr2= 572, 573, 572, 573, 572, 573,
 &end
#
#   51 GLU  HG-           0 AMB  20-1:1484   4.50    (#   1484:20  Single Ambig)
 &rst
  ixpk= 1484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 824, 825,
 igr2= 572, 573, 572, 573,
 &end
#
#    0 AMB  20-2:1485     0 AMB  20-1:1485   4.50    (#   1485:20  Double Ambig)
 &rst
  ixpk= 1485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
 igr1= 821, 822, 821, 822, 821, 822, 588, 589,
 igr2= 572, 573, 572, 573, 572, 573, 572, 573,
 &end
#
#    0 AMB  20-2:1486     0 AMB  20-1:1486   2.80    (#   1486:20  Double Ambig)
 &rst
  ixpk= 1486, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 569, 570, 566, 567, 566, 567,
 igr2= 572, 573, 572, 573, 572, 573,
 &end
#
#   36 LYS  HG-           0 AMB  20-1:1487   2.80    (#   1487:20  Single Ambig)
 &rst
  ixpk= 1487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 566, 567,
 igr2= 572, 573, 572, 573,
 &end
#
#   73 THR  HN           69 LYS  HE-         5.50    (#   1488:20  Unique    4.64, 6.19 A)
 &rst
  ixpk= 1488, nxpk= 20, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:1489     0 AMB  20-1:1489   5.50    (#   1489:20  Double Ambig)
 &rst
  ixpk= 1489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  72,  73,  72,  73,
 igr2=1311,1312,1311,1312,
 &end
#
#   72 PRO  HA           69 LYS  HE+         5.50    (#   1490:20  Unique    2.72, 4.06 A)
 &rst
  ixpk= 1490, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    0 AMB  20-2:1492     0 AMB  20-1:1492   2.80    (#   1492:20  Double Ambig)
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1324,1325,1324,1325,1324,1325, 616, 617,
 igr2=1333,1334,1333,1334,1333,1334, 785, 786,
 &end
#
#   83 LYS  HN            0 AMB  20-1:1493   4.50    (#   1493:20  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2=1333,1334,1333,1334,1311,1312,1311,1312,
 &end
#
#   40 LEU  HN           40 LEU  HB+         4.50    (#   1494:20  Unique    2.35, 3.09 A)
 &rst
  ixpk= 1494, nxpk= 20, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   40 LEU  HN           40 LEU  HB-         4.50    (#   1495:20  Unique    2.35, 3.09 A)
 &rst
  ixpk= 1495, nxpk= 20, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   40 LEU  HA           40 LEU  HB+         4.50    (#   1496:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 1496, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 640, 641,
 &end
#
#   47 ILE  MG2          47 ILE  HB          2.80    (#   1498:20  Unique    2.39, 2.65 A)
 &rst
  ixpk= 1498, nxpk= 20, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 758, 759, 760,
 &end
#
#   81 ALA  HA           12 PHE  HB-         4.50    (#   1500:20  Unique    2.54, 3.13 A)
 &rst
  ixpk= 1500, nxpk= 20, iat=1290,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#   81 ALA  MB           12 PHE  HB-         4.50    (#   1502:20  Unique    2.49, 4.17 A)
 &rst
  ixpk= 1502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1292,1293,1294,
 igr2= 178, 179,
 &end
#
#   66 GLN  HE2+         78 ILE  HB          4.50    (#   1504:20  Unique    2.96, 3.57 A)
 &rst
  ixpk= 1504, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1054,1055,
 &end
#
#   66 GLN  HE2-         78 ILE  HB          4.50    (#   1505:20  Unique    2.96, 3.57 A)
 &rst
  ixpk= 1505, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1054,1055,
 &end
#
#    0 AMB  20-2:1506    78 ILE  HB          4.50    (#   1506:20  Single Ambig)
 &rst
  ixpk= 1506, nxpk= 20, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1237,1215,
 &end
#
#   66 GLN  HA           78 ILE  HB          5.50    (#   1507:20  Unique    3.27, 3.64 A)
 &rst
  ixpk= 1507, nxpk= 20, iat=1044,1239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  MDX          21 ASN  HB+         5.50    (#   1510:20  Unique    3.56, 6.37 A)
 &rst
  ixpk= 1510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 322, 323,
 &end
#
#   22 GLU  HN           21 ASN  HB-         3.50    (#   1511:20  Unique    2.28, 3.70 A)
 &rst
  ixpk= 1511, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 322, 323,
 &end
#
#   16 LEU  HN           46 ASP  HB+         4.50    (#   1512:20  Unique    3.19, 4.28 A)
 &rst
  ixpk= 1512, nxpk= 20, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 744, 745,
 &end
#
#   21 ASN  HD2+         21 ASN  HB-         4.50    (#   1513:20  Unique    2.24, 3.30 A)
 &rst
  ixpk= 1513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 327, 328,
 igr2= 322, 323,
 &end
#
#   46 ASP  HA           46 ASP  HB+         3.50    (#   1515:20  Unique    2.31, 2.49 A)
 &rst
  ixpk= 1515, nxpk= 20, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 744, 745,
 &end
#
#   76 MET  ME           68 PHE  HB+         4.50    (#   1517:20  Unique    3.06, 4.98 A)
 &rst
  ixpk= 1517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1070,1071,
 &end
#
#   69 LYS  HN           68 PHE  HB+         4.50    (#   1520:20  Unique    4.33, 4.38 A)
 &rst
  ixpk= 1520, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1070,1071,
 &end
#
#   32 PHE  HZ           68 PHE  HB+         7.00    (#   1521:20  Unique    6.73, 7.39 A)
 &rst
  ixpk= 1521, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1070,1071,
 &end
#
#   65 LEU  HA           68 PHE  HB+         4.50    (#   1522:20  Unique    2.20, 2.90 A)
 &rst
  ixpk= 1522, nxpk= 20, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1070,1071,
 &end
#
#   38 VAL  MGY          38 VAL  HB          2.80    (#   1523:20  Unique    2.37, 2.65 A)
 &rst
  ixpk= 1523, nxpk= 20, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   38 VAL  MGX          38 VAL  HB          2.80    (#   1524:20  Unique    2.37, 2.65 A)
 &rst
  ixpk= 1524, nxpk= 20, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 602, 603, 604, 606, 607, 608,
 &end
#
#   31 GLN  HB-           0 AMB  20-1:1525   3.50    (#   1525:20  Single Ambig)
 &rst
  ixpk= 1525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 485, 486,
 igr2= 488, 489, 488, 489,
 &end
#
#    0 AMB  20-2:1526     0 AMB  20-1:1526   3.50    (#   1526:20  Double Ambig)
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 485, 486, 485, 486,
 igr2= 488, 489, 488, 489,
 &end
#
#   31 GLN  HN            0 AMB  20-1:1527   3.50    (#   1527:20  Single Ambig)
 &rst
  ixpk= 1527, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 488, 489, 488, 489,
 &end
#
#    0 AMB  20-2:1528     0 AMB  20-1:1528   3.50    (#   1528:20  Double Ambig)
 &rst
  ixpk= 1528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 493, 494, 493, 494,
 igr2= 488, 489, 488, 489,
 &end
#
#    0 AMB  20-2:1530     0 AMB  20-1:1530   2.80    (#   1530:20  Double Ambig)
 &rst
  ixpk= 1530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  64,  65,1046,1047,
 igr2=  67,  68,1049,1050,
 &end
#
#    5 GLN  HB+           5 GLN  HG+         2.80    (#   1532:20  Unique    2.29, 2.61 A)
 &rst
  ixpk= 1532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  64,  65,
 igr2=  67,  68,
 &end
#
#   31 GLN  HN           29 PHE  HA          4.50    (#   1534:20  Unique    3.19, 3.26 A)
 &rst
  ixpk= 1534, nxpk= 20, iat= 481, 449, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 THR  HB            3 THR  HA          3.50    (#   1535:20  Unique    2.53, 2.81 A)
 &rst
  ixpk= 1535, nxpk= 20, iat=  35,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   83 LYS  HN            0 AMB  20-1:1537   3.50    (#   1537:20  Single Ambig)
 &rst
  ixpk= 1537, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1324,1325,1324,1325,
 &end
#
#   83 LYS  HN            0 AMB  20-1:1538   4.50    (#   1538:20  Single Ambig)
 &rst
  ixpk= 1538, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1302,1303,1302,1303,
 &end
#
#    0 AMB  20-2:1540     0 AMB  20-1:1540   4.50    (#   1540:20  Double Ambig)
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1220,1221,1220,1221,
 igr2=1217,1218,1217,1218,
 &end
#
#   52 PHE  HA           36 LYS  HB-         5.50    (#   1541:20  Unique    2.22, 3.82 A)
 &rst
  ixpk= 1541, nxpk= 20, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 563, 564,
 &end
#
#    0 AMB  20-2:1542     0 AMB  20-1:1542   3.50    (#   1542:20  Double Ambig)
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 572, 573, 572, 573,
 igr2= 563, 564, 563, 564,
 &end
#
#   38 VAL  HN           38 VAL  HB          4.50    (#   1546:20  Unique    2.59, 3.01 A)
 &rst
  ixpk= 1546, nxpk= 20, iat= 596, 600, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 PHE  HD            7 PRO  HA          4.50    (#   1547:20  Unique    3.17, 3.62 A)
 &rst
  ixpk= 1547, nxpk= 20, iat=  -1, 101, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1276,1284,
 &end
#
#   27 MET  HN           26 SER  HB+         4.50    (#   1548:20  Unique    2.52, 3.21 A)
 &rst
  ixpk= 1548, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 404, 405,
 &end
#
#   27 MET  HN           26 SER  HB-         4.50    (#   1549:20  Unique    2.52, 3.21 A)
 &rst
  ixpk= 1549, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 404, 405,
 &end
#
#   27 MET  HN           26 SER  HA          5.50    (#   1550:20  Unique    3.60, 3.64 A)
 &rst
  ixpk= 1550, nxpk= 20, iat= 411, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 LEU  HN           26 SER  HB+         5.50    (#   1551:20  Unique    4.85, 5.56 A)
 &rst
  ixpk= 1551, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   25 LEU  HN           26 SER  HB-         5.50    (#   1552:20  Unique    4.85, 5.56 A)
 &rst
  ixpk= 1552, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   35 PHE  HE           26 SER  HB-         4.50    (#   1553:20  Unique    3.00, 5.04 A)
 &rst
  ixpk= 1553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 549, 553,
 igr2= 404, 405,
 &end
#
#   35 PHE  HE           26 SER  HB+         5.50    (#   1554:20  Unique    3.00, 5.04 A)
 &rst
  ixpk= 1554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 549, 553,
 igr2= 404, 405,
 &end
#
#   35 PHE  HE           26 SER  HA          4.50    (#   1555:20  Unique    3.16, 3.57 A)
 &rst
  ixpk= 1555, nxpk= 20, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 549, 553,
 &end
#
#   35 PHE  HZ           26 SER  HA          4.50    (#   1556:20  Unique    2.15, 2.23 A)
 &rst
  ixpk= 1556, nxpk= 20, iat= 551, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 SER  HA           26 SER  HB+         3.50    (#   1560:20  Unique    2.31, 2.73 A)
 &rst
  ixpk= 1560, nxpk= 20, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 404, 405,
 &end
#
#   26 SER  HA           26 SER  HB-         3.50    (#   1563:20  Unique    2.31, 2.73 A)
 &rst
  ixpk= 1563, nxpk= 20, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 404, 405,
 &end
#
#   78 ILE  HN           77 LYS  HB-         5.50    (#   1564:20  Unique    2.83, 3.93 A)
 &rst
  ixpk= 1564, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1217,1218,
 &end
#
#    0 AMB  20-2:1565     0 AMB  20-1:1565   3.50    (#   1565:20  Double Ambig)
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1311,1312,1311,1312,1311,1312,
 igr2=1302,1303,1302,1303,1302,1303,
 &end
#
#    0 AMB  20-2:1566     0 AMB  20-1:1566   2.80    (#   1566:20  Double Ambig)
 &rst
  ixpk= 1566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1305,1306,1327,1328,
 igr2=1302,1303,1302,1303,1302,1303,
 &end
#
#   22 GLU  HN           22 GLU  HA          3.50    (#   1567:20  Unique    2.77, 2.80 A)
 &rst
  ixpk= 1567, nxpk= 20, iat= 332, 334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 THR  HN           73 THR  HA          4.50    (#   1568:20  Unique    2.22, 2.85 A)
 &rst
  ixpk= 1568, nxpk= 20, iat=1155,1157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1571    73 THR  HA          5.50    (#   1571:20  Single Ambig)
 &rst
  ixpk= 1571, nxpk= 20, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1131,1088,1188,1129,
 &end
#
#    0 AMB  20-2:1572     0 AMB  20-1:1572   2.80    (#   1572:20  Double Ambig)
 &rst
  ixpk= 1572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 351, 352, 336, 337,
 igr2= 354, 355, 354, 355,
 &end
#
#    0 AMB  20-2:1573     0 AMB  20-1:1573   2.80    (#   1573:20  Double Ambig)
 &rst
  ixpk= 1573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 351, 352, 415, 416,
 igr2= 354, 355, 354, 355,
 &end
#
#   42 PRO  HG+          42 PRO  HB+         3.50    (#   1574:20  Unique    2.38, 2.63 A)
 &rst
  ixpk= 1574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 678, 679,
 &end
#
#   42 PRO  HG-          42 PRO  HB+         3.50    (#   1575:20  Unique    2.38, 2.63 A)
 &rst
  ixpk= 1575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 678, 679,
 &end
#
#   38 VAL  HN           37 GLU  HB-         4.50    (#   1578:20  Unique    2.40, 3.64 A)
 &rst
  ixpk= 1578, nxpk= 20, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 585, 586,
 &end
#
#    0 AMB  20-2:1580     0 AMB  20-1:1580   4.50    (#   1580:20  Double Ambig)
 &rst
  ixpk= 1580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 998, 942,
 igr2= 980, 981,  98,  99,
 &end
#
#   80 PHE  HD            0 AMB  20-1:1581   5.50    (#   1581:20  Single Ambig)
 &rst
  ixpk= 1581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1276,1284,
 igr2=  98,  99, 980, 981,
 &end
#
#   80 PHE  HD            7 PRO  HB+         4.50    (#   1582:20  Unique    4.70, 5.78 A)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1276,1284,
 igr2=  98,  99,
 &end
#
#    8 ASN  HN            7 PRO  HB+         4.50    (#   1583:20  Unique    3.18, 3.58 A)
 &rst
  ixpk= 1583, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  98,  99,
 &end
#
#    8 ASN  HN            7 PRO  HB-         4.50    (#   1584:20  Unique    3.18, 3.58 A)
 &rst
  ixpk= 1584, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  98,  99,
 &end
#
#    7 PRO  HG-           7 PRO  HB-         4.50    (#   1585:20  Unique    2.37, 2.63 A)
 &rst
  ixpk= 1585, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  95,  96,
 igr2=  98,  99,
 &end
#
#    7 PRO  HG-           7 PRO  HB+         3.50    (#   1586:20  Unique    2.37, 2.63 A)
 &rst
  ixpk= 1586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  95,  96,
 igr2=  98,  99,
 &end
#
#    0 AMB  20-2:1589     0 AMB  20-1:1589   4.50    (#   1589:20  Double Ambig)
 &rst
  ixpk= 1589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  95,  96, 162,
 igr2=  98,  99, 980, 981,
 &end
#
#   58 SER  HG           58 SER  HB+         4.50    (#   1590:20  Unique    2.11, 2.33 A)
 &rst
  ixpk= 1590, nxpk= 20, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 935, 936,
 &end
#
#    0 AMB  20-2:1591     0 AMB  20-1:1591   5.50    (#   1591:20  Double Ambig)
 &rst
  ixpk= 1591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 836, 837, 836, 837,
 igr2= 935, 936, 935, 936,
 &end
#
#   58 SER  HA           58 SER  HB+         5.50    (#   1592:20  Unique    2.34, 2.48 A)
 &rst
  ixpk= 1592, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 935, 936,
 &end
#
#   11 LEU  MDY          58 SER  HB+         4.50    (#   1593:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 1593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 164, 165, 166, 168, 169, 170,
 igr2= 935, 936,
 &end
#
#   11 LEU  MDY          58 SER  HB-         4.50    (#   1596:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 1596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 164, 165, 166, 168, 169, 170,
 igr2= 935, 936,
 &end
#
#   73 THR  HN           72 PRO  HB+         5.50    (#   1597:20  Unique    2.65, 3.69 A)
 &rst
  ixpk= 1597, nxpk= 20, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1148,1149,
 &end
#
#    0 AMB  20-2:1598     0 AMB  20-1:1598   4.50    (#   1598:20  Double Ambig)
 &rst
  ixpk= 1598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1131,1129,
 igr2=1148,1149,1148,1149,
 &end
#
#    0 AMB  20-2:1600     0 AMB  20-1:1600   3.50    (#   1600:20  Double Ambig)
 &rst
  ixpk= 1600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 418, 419, 418, 419, 418, 419,
 igr2= 415, 416, 415, 416, 415, 416,
 &end
#
#   42 PRO  HD-          42 PRO  HB-         4.50    (#   1601:20  Unique    2.76, 3.66 A)
 &rst
  ixpk= 1601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 672, 673,
 igr2= 678, 679,
 &end
#
#   61 ALA  HN           58 SER  HA          4.50    (#   1603:20  Unique    3.29, 3.42 A)
 &rst
  ixpk= 1603, nxpk= 20, iat= 966, 933, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 SER  HB-          58 SER  HA          3.50    (#   1604:20  Unique    2.34, 2.48 A)
 &rst
  ixpk= 1604, nxpk= 20, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 935, 936,
 &end
#
#   74 HIS  HA           74 HIS  HB-         2.80    (#   1606:20  Unique    2.41, 2.75 A)
 &rst
  ixpk= 1606, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1173,1174,
 &end
#
#   62 LYS  HE-          79 THR  HA          5.50    (#   1613:20  Unique    2.70, 4.31 A)
 &rst
  ixpk= 1613, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 989, 990,
 &end
#
#   62 LYS  HE+          79 THR  HA          5.50    (#   1614:20  Unique    2.70, 4.31 A)
 &rst
  ixpk= 1614, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 989, 990,
 &end
#
#   41 VAL  HB           41 VAL  HA          3.50    (#   1615:20  Unique    3.03, 3.04 A)
 &rst
  ixpk= 1615, nxpk= 20, iat= 659, 657, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 LYS  HE-          79 THR  HA          5.50    (#   1617:20  Unique    2.70, 4.31 A)
 &rst
  ixpk= 1617, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 989, 990,
 &end
#
#    0 AMB  20-2:1618     0 AMB  20-1:1618   4.50    (#   1618:20  Double Ambig)
 &rst
  ixpk= 1618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 703, 704, 678, 679, 159, 160,
 igr2= 657,1256,
 &end
#
#    7 PRO  HD-           6 PRO  HB+         4.50    (#   1620:20  Unique    2.34, 3.64 A)
 &rst
  ixpk= 1620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  92,  93,
 igr2=  84,  85,
 &end
#
#   69 LYS  HB+          68 PHE  HA          4.50    (#   1626:20  Unique    4.55, 5.19 A)
 &rst
  ixpk= 1626, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1090,1091,
 &end
#
#    0 AMB  20-2:1627    68 PHE  HA          4.50    (#   1627:20  Single Ambig)
 &rst
  ixpk= 1627, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1093,1094,1190,1191,1192,
 &end
#
#   65 LEU  MDY          68 PHE  HA          5.50    (#   1628:20  Unique    5.05, 6.76 A)
 &rst
  ixpk= 1628, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   76 MET  HB+          76 MET  HG+         3.50    (#   1629:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 1629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1200,1201,
 igr2=1203,1204,
 &end
#
#    4 GLU  HG-           4 GLU  HB+         2.80    (#   1631:20  Unique    2.25, 2.74 A)
 &rst
  ixpk= 1631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  52,  53,
 igr2=  49,  50,
 &end
#
#    4 GLU  HG+           4 GLU  HB-         2.80    (#   1632:20  Unique    2.25, 2.74 A)
 &rst
  ixpk= 1632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  52,  53,
 igr2=  49,  50,
 &end
#
#   47 ILE  HA           14 THR  HA          3.50    (#   1634:20  Unique    2.23, 2.36 A)
 &rst
  ixpk= 1634, nxpk= 20, iat= 754, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 THR  HB           54 THR  HA          3.50    (#   1636:20  Unique    2.65, 2.68 A)
 &rst
  ixpk= 1636, nxpk= 20, iat= 870, 868, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 ASN  HN           14 THR  HA          4.50    (#   1637:20  Unique    2.38, 2.42 A)
 &rst
  ixpk= 1637, nxpk= 20, iat= 227, 215, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 THR  HB           14 THR  HA          3.50    (#   1638:20  Unique    2.51, 2.55 A)
 &rst
  ixpk= 1638, nxpk= 20, iat= 217, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 ILE  MG2          14 THR  HA          2.80    (#   1639:20  Unique    2.05, 3.37 A)
 &rst
  ixpk= 1639, nxpk= 20, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 758, 759, 760,
 &end
#
#   14 THR  MG2          14 THR  HA          3.50    (#   1640:20  Unique    2.37, 3.09 A)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 219, 220, 221,
 &end
#
#   54 THR  MG2          54 THR  HA          3.50    (#   1641:20  Unique    2.40, 2.92 A)
 &rst
  ixpk= 1641, nxpk= 20, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 872, 873, 874,
 &end
#
#   72 PRO  HA           69 LYS  HD+         4.50    (#   1644:20  Unique    2.47, 3.64 A)
 &rst
  ixpk= 1644, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#   55 GLU  HA            0 AMB  20-1:1645   4.50    (#   1645:20  Single Ambig)
 &rst
  ixpk= 1645, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 884, 885, 884, 885,
 &end
#
#    0 AMB  20-2:1646    36 LYS  HD-         2.80    (#   1646:20  Single Ambig)
 &rst
  ixpk= 1646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 572, 573, 572, 573,
 igr2= 569, 570,
 &end
#
#    0 AMB  20-2:1647     0 AMB  20-1:1647   2.80    (#   1647:20  Double Ambig)
 &rst
  ixpk= 1647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1=1311,1312,1311,1312,1311,1312,1333,1334,1333,1334,
      1333,1334,1099,1100,
 igr2=1308,1309,1308,1309,1308,1309,1330,1331,1330,1331,
      1330,1331,1096,1097,
 &end
#
#   69 LYS  HE+          69 LYS  HD+         2.80    (#   1648:20  Unique    2.40, 2.63 A)
 &rst
  ixpk= 1648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1099,1100,
 igr2=1096,1097,
 &end
#
#    0 AMB  20-2:1649     0 AMB  20-1:1649   2.80    (#   1649:20  Double Ambig)
 &rst
  ixpk= 1649, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 572, 573, 572, 573,
 igr2= 569, 570, 569, 570,
 &end
#
#   76 MET  ME           70 ILE  HG1+        4.50    (#   1652:20  Unique    2.29, 3.31 A)
 &rst
  ixpk= 1652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1118,1119,
 &end
#
#    0 AMB  20-2:1654     0 AMB  20-1:1654   3.50    (#   1654:20  Double Ambig)
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 245, 246, 432, 433,1096,1097,
 igr2=1118,1119,1118,1119,1118,1119,
 &end
#
#   70 ILE  MG2          70 ILE  HG1+        3.50    (#   1655:20  Unique    2.47, 3.48 A)
 &rst
  ixpk= 1655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1114,1115,1116,
 igr2=1118,1119,
 &end
#
#    0 AMB  20-2:1656    31 GLN  HB-         2.80    (#   1656:20  Single Ambig)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 488, 489, 488, 489,
 igr2= 485, 486,
 &end
#
#    5 GLN  HG+           5 GLN  HB+         4.50    (#   1657:20  Unique    2.29, 2.61 A)
 &rst
  ixpk= 1657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  67,  68,
 igr2=  64,  65,
 &end
#
#    5 GLN  HG-           5 GLN  HB+         3.50    (#   1658:20  Unique    2.29, 2.61 A)
 &rst
  ixpk= 1658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  67,  68,
 igr2=  64,  65,
 &end
#
#   47 ILE  HB           47 ILE  HA          4.50    (#   1660:20  Unique    2.30, 2.36 A)
 &rst
  ixpk= 1660, nxpk= 20, iat= 756, 754, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LEU  HB-          47 ILE  HA          4.50    (#   1661:20  Unique    3.92, 4.42 A)
 &rst
  ixpk= 1661, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 198, 199,
 &end
#
#   48 ALA  MB           47 ILE  HA          4.50    (#   1662:20  Unique    4.19, 4.80 A)
 &rst
  ixpk= 1662, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 775, 776, 777,
 &end
#
#    0 AMB  20-2:1663    47 ILE  HA          4.50    (#   1663:20  Single Ambig)
 &rst
  ixpk= 1663, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   13 LEU  HB+          47 ILE  HA          4.50    (#   1664:20  Unique    3.92, 4.42 A)
 &rst
  ixpk= 1664, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 198, 199,
 &end
#
#   14 THR  HA           47 ILE  HA          3.50    (#   1665:20  Unique    2.23, 2.36 A)
 &rst
  ixpk= 1665, nxpk= 20, iat= 215, 754, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 ILE  HN           47 ILE  HA          4.50    (#   1667:20  Unique    2.91, 2.93 A)
 &rst
  ixpk= 1667, nxpk= 20, iat= 752, 754, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 ASN  HN           47 ILE  HA          4.50    (#   1668:20  Unique    4.09, 4.18 A)
 &rst
  ixpk= 1668, nxpk= 20, iat= 227, 754, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLN  HA           31 GLN  HB+         3.50    (#   1670:20  Unique    2.36, 2.72 A)
 &rst
  ixpk= 1670, nxpk= 20, iat= 483,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 485, 486,
 &end
#
#    2 GLN  HG+           2 GLN  HB+         2.80    (#   1672:20  Unique    2.30, 2.72 A)
 &rst
  ixpk= 1672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  21,  22,
 igr2=  18,  19,
 &end
#
#    0 AMB  20-2:1673     0 AMB  20-1:1673   2.80    (#   1673:20  Double Ambig)
 &rst
  ixpk= 1673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  52,  53,  21,  22,1005,1006,
 igr2=  18,  19,1002,1003,
 &end
#
#   60 ALA  MB           57 GLN  HA          3.50    (#   1674:20  Unique    2.55, 3.47 A)
 &rst
  ixpk= 1674, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 960, 961, 962,
 &end
#
#   57 GLN  HB-          57 GLN  HA          4.50    (#   1675:20  Unique    2.49, 2.77 A)
 &rst
  ixpk= 1675, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 918, 919,
 &end
#
#    0 AMB  20-2:1676    57 GLN  HA          4.50    (#   1676:20  Single Ambig)
 &rst
  ixpk= 1676, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 956, 926, 927,
 &end
#
#   58 SER  HN           57 GLN  HA          4.50    (#   1677:20  Unique    3.58, 3.64 A)
 &rst
  ixpk= 1677, nxpk= 20, iat= 931, 916, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 LYS  HB+          59 ASN  HA          4.50    (#   1678:20  Unique    2.25, 3.07 A)
 &rst
  ixpk= 1678, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#   56 LEU  HB-          56 LEU  HA          2.80    (#   1679:20  Unique    2.41, 2.82 A)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1, 897, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 899, 900,
 &end
#
#   60 ALA  HN           56 LEU  HA          4.50    (#   1680:20  Unique    3.87, 3.99 A)
 &rst
  ixpk= 1680, nxpk= 20, iat= 956, 897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ARG  HD+          39 ARG  HG+         4.50    (#   1681:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 622, 623,
 igr2= 619, 620,
 &end
#
#   39 ARG  HD+          39 ARG  HG-         4.50    (#   1682:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 622, 623,
 igr2= 619, 620,
 &end
#
#    0 AMB  20-2:1683     0 AMB  20-1:1683   4.50    (#   1683:20  Double Ambig)
 &rst
  ixpk= 1683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 616, 617, 616, 617, 588, 589,
 igr2= 619, 620, 619, 620, 619, 620,
 &end
#
#    0 AMB  20-2:1684    39 ARG  HG-         4.50    (#   1684:20  Single Ambig)
 &rst
  ixpk= 1684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 616, 617, 616, 617, 588, 589,
 igr2= 619, 620,
 &end
#
#   40 LEU  MDX          40 LEU  HG          3.50    (#   1685:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1685, nxpk= 20, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1686     0 AMB  20-1:1686   5.50    (#   1686:20  Double Ambig)
 &rst
  ixpk= 1686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  87, 638,
 igr2=  95,  96, 390, 391, 392, 394, 395, 396,
 &end
#
#    7 PRO  HB-           7 PRO  HG-         3.50    (#   1687:20  Unique    2.37, 2.63 A)
 &rst
  ixpk= 1687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  98,  99,
 igr2=  95,  96,
 &end
#
#    7 PRO  HB-           7 PRO  HG+         3.50    (#   1688:20  Unique    2.37, 2.63 A)
 &rst
  ixpk= 1688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  98,  99,
 igr2=  95,  96,
 &end
#
#    7 PRO  HB+           7 PRO  HG+         3.50    (#   1689:20  Unique    2.37, 2.63 A)
 &rst
  ixpk= 1689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  98,  99,
 igr2=  95,  96,
 &end
#
#   49 PHE  HD           49 PHE  HA          4.50    (#   1692:20  Unique    3.01, 3.60 A)
 &rst
  ixpk= 1692, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 789, 797,
 &end
#
#    0 AMB  20-2:1693    49 PHE  HA          5.50    (#   1693:20  Single Ambig)
 &rst
  ixpk= 1693, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 598, 614,
 &end
#
#   49 PHE  HB-          49 PHE  HA          4.50    (#   1694:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 1694, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 785, 786,
 &end
#
#    0 AMB  20-2:1696    49 PHE  HA          4.50    (#   1696:20  Single Ambig)
 &rst
  ixpk= 1696, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 805, 201,
 &end
#
#   48 ALA  MB           49 PHE  HA          5.50    (#   1697:20  Unique    4.35, 4.85 A)
 &rst
  ixpk= 1697, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 775, 776, 777,
 &end
#
#    0 AMB  20-2:1698     0 AMB  20-1:1698   3.50    (#   1698:20  Double Ambig)
 &rst
  ixpk= 1698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  52,  53,  21,  22,
 igr2=  47,  16,
 &end
#
#    4 GLU  HB+           4 GLU  HA          2.80    (#   1699:20  Unique    2.37, 2.66 A)
 &rst
  ixpk= 1699, nxpk= 20, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  49,  50,
 &end
#
#    0 AMB  20-2:1700     0 AMB  20-1:1700   2.80    (#   1700:20  Double Ambig)
 &rst
  ixpk= 1700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=  49,  50,  18,  19,
 igr2=  47,  16,
 &end
#
#   83 LYS  HN            0 AMB  20-1:1706   3.50    (#   1706:20  Single Ambig)
 &rst
  ixpk= 1706, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1300,1322,
 &end
#
#   56 LEU  HA            7 PRO  HG-         5.50    (#   1708:20  Unique    4.90, 5.58 A)
 &rst
  ixpk= 1708, nxpk= 20, iat= 897,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  95,  96,
 &end
#
#   40 LEU  HN           40 LEU  HG          4.50    (#   1709:20  Unique    2.52, 2.73 A)
 &rst
  ixpk= 1709, nxpk= 20, iat= 636, 643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1710     0 AMB  20-1:1710   4.50    (#   1710:20  Double Ambig)
 &rst
  ixpk= 1710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 983, 984, 983, 984,
 igr2= 986, 987, 986, 987,
 &end
#
#    0 AMB  20-2:1711    62 LYS  HD-         4.50    (#   1711:20  Single Ambig)
 &rst
  ixpk= 1711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 983, 984, 983, 984,
 igr2= 986, 987,
 &end
#
#   74 HIS  HB-          74 HIS  HA          4.50    (#   1714:20  Unique    2.41, 2.75 A)
 &rst
  ixpk= 1714, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1173,1174,
 &end
#
#   12 PHE  HB+          12 PHE  HA          4.50    (#   1715:20  Unique    2.45, 2.76 A)
 &rst
  ixpk= 1715, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 178, 179,
 &end
#
#   12 PHE  HB-          12 PHE  HA          4.50    (#   1716:20  Unique    2.45, 2.76 A)
 &rst
  ixpk= 1716, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 178, 179,
 &end
#
#   49 PHE  HA           12 PHE  HA          4.50    (#   1718:20  Unique    2.31, 2.42 A)
 &rst
  ixpk= 1718, nxpk= 20, iat= 783, 176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 PHE  HD           12 PHE  HA          4.50    (#   1719:20  Unique    2.15, 3.45 A)
 &rst
  ixpk= 1719, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 182, 190,
 &end
#
#    8 ASN  HD2-         51 GLU  HA          7.00    (#   1720:20  Unique    6.54, 7.24 A)
 &rst
  ixpk= 1720, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 114, 115,
 &end
#
#   49 PHE  HD           12 PHE  HA          4.50    (#   1721:20  Unique    2.86, 4.09 A)
 &rst
  ixpk= 1721, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 789, 797,
 &end
#
#   12 PHE  HN           12 PHE  HA          5.50    (#   1722:20  Unique    2.96, 2.97 A)
 &rst
  ixpk= 1722, nxpk= 20, iat= 174, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 ALA  MB           12 PHE  HA          5.50    (#   1723:20  Unique    3.60, 4.92 A)
 &rst
  ixpk= 1723, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1292,1293,1294,
 &end
#
#    0 AMB  20-2:1724    12 PHE  HA          5.50    (#   1724:20  Single Ambig)
 &rst
  ixpk= 1724, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 198, 199, 805, 201,
 &end
#
#   59 ASN  HD2+         60 ALA  HA          4.50    (#   1725:20  Unique    3.53, 4.31 A)
 &rst
  ixpk= 1725, nxpk= 20, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 952,
 &end
#
#   59 ASN  HD2-         60 ALA  HA          4.50    (#   1726:20  Unique    3.53, 4.31 A)
 &rst
  ixpk= 1726, nxpk= 20, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 952,
 &end
#
#   60 ALA  MB           60 ALA  HA          2.80    (#   1727:20  Unique    2.43, 2.65 A)
 &rst
  ixpk= 1727, nxpk= 20, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 960, 961, 962,
 &end
#
#   64 ALA  MB           64 ALA  HA          2.80    (#   1729:20  Unique    2.45, 2.66 A)
 &rst
  ixpk= 1729, nxpk= 20, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1017,1018,1019,
 &end
#
#   43 ASN  HD2+         43 ASN  HA          5.50    (#   1731:20  Unique    2.48, 4.51 A)
 &rst
  ixpk= 1731, nxpk= 20, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 694, 695,
 &end
#
#    0 AMB  20-2:1734    69 LYS  HA          3.50    (#   1734:20  Single Ambig)
 &rst
  ixpk= 1734, nxpk= 20, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1093,1094,1190,1191,1192,
 &end
#
#   69 LYS  HB-          69 LYS  HA          4.50    (#   1735:20  Unique    2.41, 2.77 A)
 &rst
  ixpk= 1735, nxpk= 20, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1090,1091,
 &end
#
#    0 AMB  20-2:1736    69 LYS  HA          3.50    (#   1736:20  Single Ambig)
 &rst
  ixpk= 1736, nxpk= 20, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1096,1097,1090,1091,
 &end
#
#   70 ILE  HN           69 LYS  HA          3.50    (#   1737:20  Unique    2.18, 2.21 A)
 &rst
  ixpk= 1737, nxpk= 20, iat=1108,1088, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLU  HG-          56 LEU  MDX         4.50    (#   1738:20  Unique    4.94, 7.30 A)
 &rst
  ixpk= 1738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 887, 888,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:1739    56 LEU  MDX         2.80    (#   1739:20  Single Ambig)
 &rst
  ixpk= 1739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 902, 899, 900, 884, 885, 884, 885,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   56 LEU  HB-          56 LEU  MDX         2.80    (#   1740:20  Unique    2.42, 3.47 A)
 &rst
  ixpk= 1740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 899, 900,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:1741     0 AMB  20-1:1741   3.50    (#   1741:20  Double Ambig)
 &rst
  ixpk= 1741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1333,1334,1333,1334,1333,1334,1311,1312,1311,1312,
      
 igr2=1327,1328,1327,1328,1327,1328,1305,1306,
 &end
#
#    0 AMB  20-2:1742     0 AMB  20-1:1742   3.50    (#   1742:20  Double Ambig)
 &rst
  ixpk= 1742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 572, 573, 572, 573,
 igr2= 566, 567, 566, 567,
 &end
#
#    0 AMB  20-2:1743    36 LYS  HG-         3.50    (#   1743:20  Single Ambig)
 &rst
  ixpk= 1743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 572, 573, 572, 573,
 igr2= 566, 567,
 &end
#
#   36 LYS  HN           36 LYS  HG+         4.50    (#   1744:20  Unique    2.69, 3.68 A)
 &rst
  ixpk= 1744, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 566, 567,
 &end
#
#   36 LYS  HN           36 LYS  HG-         4.50    (#   1745:20  Unique    2.69, 3.68 A)
 &rst
  ixpk= 1745, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 566, 567,
 &end
#
#   37 GLU  HN           36 LYS  HG+         4.50    (#   1746:20  Unique    4.18, 4.77 A)
 &rst
  ixpk= 1746, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 566, 567,
 &end
#
#   37 GLU  HN           36 LYS  HG-         5.50    (#   1747:20  Unique    4.18, 4.77 A)
 &rst
  ixpk= 1747, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 566, 567,
 &end
#
#   36 LYS  HD+          36 LYS  HG+         3.50    (#   1748:20  Unique    2.35, 2.60 A)
 &rst
  ixpk= 1748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 569, 570,
 igr2= 566, 567,
 &end
#
#   36 LYS  HD+          36 LYS  HG-         3.50    (#   1749:20  Unique    2.35, 2.60 A)
 &rst
  ixpk= 1749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 569, 570,
 igr2= 566, 567,
 &end
#
#   28 LEU  HB-          28 LEU  MDY         3.50    (#   1753:20  Unique    2.41, 3.32 A)
 &rst
  ixpk= 1753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 432, 433,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  HG           28 LEU  MDY         3.50    (#   1754:20  Unique    2.44, 2.66 A)
 &rst
  ixpk= 1754, nxpk= 20, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   28 LEU  HB+          28 LEU  MDY         2.80    (#   1755:20  Unique    2.41, 3.32 A)
 &rst
  ixpk= 1755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 432, 433,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   25 LEU  MDX          28 LEU  MDY         3.50    (#   1756:20  Unique    2.42, 6.86 A)
 &rst
  ixpk= 1756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:1758    28 LEU  MDY         2.80    (#   1758:20  Single Ambig)
 &rst
  ixpk= 1758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1207,1208,1209, 422, 423, 424, 368, 369,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   65 LEU  MDX          28 LEU  MDY         4.50    (#   1759:20  Unique    3.36, 5.66 A)
 &rst
  ixpk= 1759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:1762    28 LEU  MDY         5.50    (#   1762:20  Single Ambig)
 &rst
  ixpk= 1762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 418, 419, 418, 419,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   25 LEU  MDY          28 LEU  MDY         4.50    (#   1763:20  Unique    2.42, 6.86 A)
 &rst
  ixpk= 1763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   58 SER  HB+          11 LEU  MDX         5.50    (#   1765:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 1765, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 935, 936,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   58 SER  HB-          11 LEU  MDX         4.50    (#   1766:20  Unique    2.10, 3.88 A)
 &rst
  ixpk= 1766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 935, 936,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   62 LYS  HA           11 LEU  MDX         5.50    (#   1767:20  Unique    3.13, 5.09 A)
 &rst
  ixpk= 1767, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   11 LEU  HG           11 LEU  MDX         3.50    (#   1768:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1768, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   50 VAL  HB           11 LEU  MDX         4.50    (#   1769:20  Unique    2.78, 4.95 A)
 &rst
  ixpk= 1769, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   11 LEU  HB-          11 LEU  MDX         4.50    (#   1770:20  Unique    2.30, 3.33 A)
 &rst
  ixpk= 1770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 159, 160,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   50 VAL  MGX          11 LEU  MDX         4.50    (#   1772:20  Unique    3.39, 6.65 A)
 &rst
  ixpk= 1772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   50 VAL  MGY          11 LEU  MDX         4.50    (#   1773:20  Unique    3.39, 6.65 A)
 &rst
  ixpk= 1773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:1774    56 LEU  MDX         4.50    (#   1774:20  Single Ambig)
 &rst
  ixpk= 1774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 921, 922, 921, 922,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    8 ASN  HB-          82 LYS  HG+         7.00    (#   1776:20  Unique    6.64, 7.75 A)
 &rst
  ixpk= 1776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 109, 110,
 igr2=1305,1306,
 &end
#
#    0 AMB  20-2:1777     0 AMB  20-1:1777   2.80    (#   1777:20  Double Ambig)
 &rst
  ixpk= 1777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1217,1218,1217,1218,1226,1227,
 igr2=1220,1221,1220,1221,1220,1221,
 &end
#
#   50 VAL  MGY          13 LEU  MDX         4.50    (#   1781:20  Unique    2.23, 4.91 A)
 &rst
  ixpk= 1781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  MGY          13 LEU  MDY         3.50    (#   1782:20  Unique    2.23, 4.91 A)
 &rst
  ixpk= 1782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   48 ALA  MB           13 LEU  MDX         4.50    (#   1783:20  Unique    2.94, 5.54 A)
 &rst
  ixpk= 1783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 775, 776, 777,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:1784    13 LEU  MDX         2.80    (#   1784:20  Single Ambig)
 &rst
  ixpk= 1784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 198, 199, 159, 160,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   48 ALA  MB           13 LEU  MDY         3.50    (#   1785:20  Unique    2.94, 5.54 A)
 &rst
  ixpk= 1785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 775, 776, 777,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:1786    13 LEU  MDY         3.50    (#   1786:20  Single Ambig)
 &rst
  ixpk= 1786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 198, 199, 159, 160,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:1787    13 LEU  MDY         2.80    (#   1787:20  Single Ambig)
 &rst
  ixpk= 1787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 198, 199, 201,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:1788    13 LEU  MDX         2.80    (#   1788:20  Single Ambig)
 &rst
  ixpk= 1788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 198, 199, 201, 805,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   25 LEU  MDY          13 LEU  MDX         4.50    (#   1789:20  Unique    2.33, 5.47 A)
 &rst
  ixpk= 1789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   25 LEU  MDY          13 LEU  MDY         4.50    (#   1790:20  Unique    2.33, 5.47 A)
 &rst
  ixpk= 1790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   76 MET  ME           13 LEU  MDY         3.50    (#   1791:20  Unique    2.92, 5.71 A)
 &rst
  ixpk= 1791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1207,1208,1209,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   76 MET  ME           13 LEU  MDX         3.50    (#   1792:20  Unique    2.92, 5.71 A)
 &rst
  ixpk= 1792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1207,1208,1209,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   76 MET  HG+          13 LEU  MDX         3.50    (#   1793:20  Unique    3.02, 4.89 A)
 &rst
  ixpk= 1793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1203,1204,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   48 ALA  HN           13 LEU  MDX         5.50    (#   1794:20  Unique    5.20, 6.02 A)
 &rst
  ixpk= 1794, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   48 ALA  HN           13 LEU  MDY         5.50    (#   1795:20  Unique    5.20, 6.02 A)
 &rst
  ixpk= 1795, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   14 THR  HN           13 LEU  MDY         5.50    (#   1796:20  Unique    4.35, 5.33 A)
 &rst
  ixpk= 1796, nxpk= 20, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:1797    40 LEU  MDX         3.50    (#   1797:20  Single Ambig)
 &rst
  ixpk= 1797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 320, 725,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1798    25 LEU  HG          5.50    (#   1798:20  Single Ambig)
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 368, 369, 339, 340,
 &end
#
#    0 AMB  20-2:1799    25 LEU  HG          4.50    (#   1799:20  Single Ambig)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 368, 369,1207,1208,1209,
 &end
#
#   25 LEU  MDY          25 LEU  HG          3.50    (#   1800:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 1800, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HB-          25 LEU  HG          4.50    (#   1801:20  Unique    2.34, 2.70 A)
 &rst
  ixpk= 1801, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 385, 386,
 &end
#
#   20 THR  MG2          25 LEU  HG          2.80    (#   1802:20  Unique    2.37, 2.83 A)
 &rst
  ixpk= 1802, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 310, 311, 312,
 &end
#
#    0 AMB  20-2:1803    25 LEU  HG          3.50    (#   1803:20  Single Ambig)
 &rst
  ixpk= 1803, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 602, 603, 604, 606, 607, 608,1121,1122,1123, 432,
       433,
 &end
#
#   40 LEU  MDY          25 LEU  HG          3.50    (#   1804:20  Unique    2.79, 5.16 A)
 &rst
  ixpk= 1804, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#   50 VAL  MGX          25 LEU  HG          5.50    (#   1805:20  Unique    5.78, 7.56 A)
 &rst
  ixpk= 1805, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   16 LEU  HB+          16 LEU  HG          3.50    (#   1806:20  Unique    2.44, 2.75 A)
 &rst
  ixpk= 1806, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 245, 246,
 &end
#
#   16 LEU  HB-          16 LEU  HG          3.50    (#   1807:20  Unique    2.44, 2.75 A)
 &rst
  ixpk= 1807, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 245, 246,
 &end
#
#   13 LEU  HB-          16 LEU  HG          4.50    (#   1808:20  Unique    3.41, 4.24 A)
 &rst
  ixpk= 1808, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 198, 199,
 &end
#
#    0 AMB  20-2:1809    16 LEU  HG          4.50    (#   1809:20  Single Ambig)
 &rst
  ixpk= 1809, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 775, 776, 777, 310, 311, 312,
 &end
#
#   70 ILE  MD1          16 LEU  HG          4.50    (#   1810:20  Unique    4.83, 4.96 A)
 &rst
  ixpk= 1810, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1121,1122,1123,
 &end
#
#   16 LEU  MDX          16 LEU  HG          2.80    (#   1811:20  Unique    2.38, 2.65 A)
 &rst
  ixpk= 1811, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#    0 AMB  20-2:1812     0 AMB  20-1:1812   2.80    (#   1812:20  Double Ambig)
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1308,1309,1308,1309,1226,1227,1226,1227,
 igr2=1305,1306,1305,1306,1220,1221,1220,1221,
 &end
#
#    0 AMB  20-2:1813     0 AMB  20-1:1813   2.80    (#   1813:20  Double Ambig)
 &rst
  ixpk= 1813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1308,1309,1308,1309,1330,1331,1330,1331,1330,1331,
      
 igr2=1305,1306,1327,1328,1327,1328,1327,1328,
 &end
#
#   76 MET  ME           65 LEU  MDX         4.50    (#   1814:20  Unique    3.06, 5.76 A)
 &rst
  ixpk= 1814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1207,1208,1209,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:1815    65 LEU  MDX         4.50    (#   1815:20  Single Ambig)
 &rst
  ixpk= 1815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 432, 433, 485, 486,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   64 ALA  MB           65 LEU  MDX         4.50    (#   1816:20  Unique    3.70, 5.41 A)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1017,1018,1019,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:1817    65 LEU  MDX         2.80    (#   1817:20  Single Ambig)
 &rst
  ixpk= 1817, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1027,1028,1027,1028,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  HG           65 LEU  MDX         3.50    (#   1818:20  Unique    2.44, 2.67 A)
 &rst
  ixpk= 1818, nxpk= 20, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   28 LEU  HB+          65 LEU  MDX         3.50    (#   1819:20  Unique    2.59, 4.60 A)
 &rst
  ixpk= 1819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 432, 433,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   61 ALA  MB           65 LEU  MDX         4.50    (#   1820:20  Unique    3.36, 6.57 A)
 &rst
  ixpk= 1820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 970, 971, 972,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   28 LEU  MDY          65 LEU  MDX         3.50    (#   1821:20  Unique    3.36, 5.66 A)
 &rst
  ixpk= 1821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   61 ALA  HA           65 LEU  MDX         5.50    (#   1823:20  Unique    4.36, 5.79 A)
 &rst
  ixpk= 1823, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   21 ASN  HB+          40 LEU  MDX         5.50    (#   1824:20  Unique    3.56, 6.37 A)
 &rst
  ixpk= 1824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 322, 323,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1825    40 LEU  MDX         3.50    (#   1825:20  Single Ambig)
 &rst
  ixpk= 1825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 339, 340, 339, 340,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   22 GLU  HB-          40 LEU  MDX         3.50    (#   1826:20  Unique    2.63, 4.85 A)
 &rst
  ixpk= 1826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 336, 337,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   22 GLU  HB+          40 LEU  MDX         4.50    (#   1827:20  Unique    2.63, 4.85 A)
 &rst
  ixpk= 1827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 336, 337,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HB+          40 LEU  MDX         2.80    (#   1828:20  Unique    2.30, 3.34 A)
 &rst
  ixpk= 1828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 640, 641,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HB-          40 LEU  MDX         2.80    (#   1829:20  Unique    2.30, 3.34 A)
 &rst
  ixpk= 1829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 640, 641,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HG           40 LEU  MDX         2.80    (#   1830:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1830, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HN           40 LEU  HA          4.50    (#   1836:20  Unique    2.91, 2.96 A)
 &rst
  ixpk= 1836, nxpk= 20, iat= 636, 638, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 LEU  HB-          40 LEU  HA          4.50    (#   1837:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 1837, nxpk= 20, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 640, 641,
 &end
#
#   40 LEU  HB+          40 LEU  HA          3.50    (#   1838:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 1838, nxpk= 20, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 640, 641,
 &end
#
#    5 GLN  HN            5 GLN  HA          4.50    (#   1839:20  Unique    2.83, 2.92 A)
 &rst
  ixpk= 1839, nxpk= 20, iat=  60,  62, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLN  HG+           5 GLN  HA          4.50    (#   1840:20  Unique    2.38, 3.42 A)
 &rst
  ixpk= 1840, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
#    5 GLN  HG-           5 GLN  HA          4.50    (#   1841:20  Unique    2.38, 3.42 A)
 &rst
  ixpk= 1841, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
#    5 GLN  HB+           5 GLN  HA          3.50    (#   1842:20  Unique    2.54, 2.82 A)
 &rst
  ixpk= 1842, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  64,  65,
 &end
#
#    5 GLN  HB-           5 GLN  HA          3.50    (#   1843:20  Unique    2.54, 2.82 A)
 &rst
  ixpk= 1843, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  64,  65,
 &end
#
#   48 ALA  MB           48 ALA  HA          2.80    (#   1844:20  Unique    2.45, 2.68 A)
 &rst
  ixpk= 1844, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 775, 776, 777,
 &end
#
#    0 AMB  20-2:1845     0 AMB  20-1:1845   3.50    (#   1845:20  Double Ambig)
 &rst
  ixpk= 1845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 250, 251, 252, 254, 255, 256, 645, 646, 647, 649,
       650, 651,
 igr2= 243, 773,
 &end
#
#   40 LEU  HA           48 ALA  HA          3.50    (#   1846:20  Unique    2.29, 2.54 A)
 &rst
  ixpk= 1846, nxpk= 20, iat= 638, 773, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 VAL  HN           48 ALA  HA          4.50    (#   1847:20  Unique    2.50, 3.28 A)
 &rst
  ixpk= 1847, nxpk= 20, iat= 655, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 PRO  HD+          16 LEU  HA          4.50    (#   1849:20  Unique    2.33, 2.48 A)
 &rst
  ixpk= 1849, nxpk= 20, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#    0 AMB  20-2:1850    81 ALA  HA          4.50    (#   1850:20  Single Ambig)
 &rst
  ixpk= 1850, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 791, 795, 114, 115,
 &end
#
#    0 AMB  20-2:1852    81 ALA  HA          4.50    (#   1852:20  Single Ambig)
 &rst
  ixpk= 1852, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1308,1309,1308,1309,
 &end
#
#    0 AMB  20-2:1853    81 ALA  HA          2.80    (#   1853:20  Single Ambig)
 &rst
  ixpk= 1853, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=1292,1293,1294,1305,1306,
 &end
#
#   29 PHE  HB+          50 VAL  MGY         4.50    (#   1854:20  Unique    3.17, 4.92 A)
 &rst
  ixpk= 1854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 451, 452,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   11 LEU  HB+          50 VAL  MGY         4.50    (#   1855:20  Unique    3.60, 5.05 A)
 &rst
  ixpk= 1855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 159, 160,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   50 VAL  HB           50 VAL  MGY         2.80    (#   1856:20  Unique    2.42, 2.66 A)
 &rst
  ixpk= 1856, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  MGX          50 VAL  MGY         4.50    (#   1857:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   38 VAL  MGY          50 VAL  MGY         3.50    (#   1858:20  Unique    2.24, 5.02 A)
 &rst
  ixpk= 1858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   25 LEU  MDX          50 VAL  MGY         2.80    (#   1860:20  Unique    3.26, 6.69 A)
 &rst
  ixpk= 1860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   76 MET  HB-           0 AMB  20-1:1862   4.50    (#   1862:20  Single Ambig)
 &rst
  ixpk= 1862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1200,1201,
 igr2= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  20-2:1863     0 AMB  20-1:1863   2.80    (#   1863:20  Double Ambig)
 &rst
  ixpk= 1863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1207,1208,1209, 422, 423, 424,
 igr2= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 &end
#
#   28 LEU  HB-           0 AMB  20-1:1864   3.50    (#   1864:20  Single Ambig)
 &rst
  ixpk= 1864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 432, 433,
 igr2= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  20-2:1865     0 AMB  20-1:1865   2.80    (#   1865:20  Double Ambig)
 &rst
  ixpk= 1865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 435,1017,1018,1019,
 igr2= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  20-2:1866     0 AMB  20-1:1866   2.80    (#   1866:20  Double Ambig)
 &rst
  ixpk= 1866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 432, 433, 432, 433,
 igr2= 437, 438, 439, 441, 442, 443,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  20-2:1867    65 LEU  MDY         2.80    (#   1867:20  Single Ambig)
 &rst
  ixpk= 1867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1027,1028,1027,1028,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   65 LEU  HG           65 LEU  MDY         3.50    (#   1868:20  Unique    2.44, 2.67 A)
 &rst
  ixpk= 1868, nxpk= 20, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   25 LEU  MDX          28 LEU  MDX         3.50    (#   1869:20  Unique    2.42, 6.86 A)
 &rst
  ixpk= 1869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:1871    28 LEU  MDX         4.50    (#   1871:20  Single Ambig)
 &rst
  ixpk= 1871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 418, 419, 418, 419,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:1873    28 LEU  MDX         5.50    (#   1873:20  Single Ambig)
 &rst
  ixpk= 1873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 418, 419, 418, 419,
 igr2= 437, 438, 439, 441, 442, 443,
 &end
#
#   68 PHE  HB+          65 LEU  MDY         4.50    (#   1874:20  Unique    2.92, 4.77 A)
 &rst
  ixpk= 1874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1070,1071,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   68 PHE  HB-          65 LEU  MDY         4.50    (#   1875:20  Unique    2.92, 4.77 A)
 &rst
  ixpk= 1875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1070,1071,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:1877    40 LEU  MDY         3.50    (#   1877:20  Single Ambig)
 &rst
  ixpk= 1877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 339, 340, 339, 340,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   22 GLU  HB-          40 LEU  MDY         3.50    (#   1878:20  Unique    2.63, 4.85 A)
 &rst
  ixpk= 1878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 336, 337,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HB+          40 LEU  MDY         2.80    (#   1879:20  Unique    2.30, 3.34 A)
 &rst
  ixpk= 1879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 640, 641,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   40 LEU  HG           40 LEU  MDY         2.80    (#   1880:20  Unique    2.38, 2.66 A)
 &rst
  ixpk= 1880, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1881    40 LEU  MDY         2.80    (#   1881:20  Single Ambig)
 &rst
  ixpk= 1881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 775, 776, 777, 310, 311, 312,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:1882    25 LEU  MDX         2.80    (#   1882:20  Single Ambig)
 &rst
  ixpk= 1882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1207,1208,1209, 368, 369,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HB-          25 LEU  MDX         3.50    (#   1884:20  Unique    2.37, 3.35 A)
 &rst
  ixpk= 1884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 385, 386,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#    0 AMB  20-2:1885    25 LEU  MDX         2.80    (#   1885:20  Single Ambig)
 &rst
  ixpk= 1885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 310, 311, 312, 775, 776, 777,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   24 MET  HB+          25 LEU  MDX         4.50    (#   1887:20  Unique    3.10, 5.42 A)
 &rst
  ixpk= 1887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 368, 369,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   22 GLU  HA           25 LEU  MDX         4.50    (#   1888:20  Unique    3.52, 5.52 A)
 &rst
  ixpk= 1888, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#    0 AMB  20-2:1891    25 LEU  MDX         2.80    (#   1891:20  Single Ambig)
 &rst
  ixpk= 1891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 602, 603, 604, 606, 607, 608,1121,1122,1123, 432,
       433,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   25 LEU  HG           25 LEU  MDX         2.80    (#   1892:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 1892, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   47 ILE  HB           14 THR  MG2         4.50    (#   1893:20  Unique    2.39, 3.67 A)
 &rst
  ixpk= 1893, nxpk= 20, iat= 756,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 219, 220, 221,
 &end
#
#    0 AMB  20-2:1894    14 THR  MG2         4.50    (#   1894:20  Single Ambig)
 &rst
  ixpk= 1894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1226,1227,1223,1224,1223,1224,
 igr2= 219, 220, 221,
 &end
#
#    0 AMB  20-2:1895    14 THR  MG2         4.50    (#   1895:20  Single Ambig)
 &rst
  ixpk= 1895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1=1220,1221,1220,1221, 198, 199,1260,1261,1262,
 igr2= 219, 220, 221,
 &end
#
#    0 AMB  20-2:1896    14 THR  MG2         4.50    (#   1896:20  Single Ambig)
 &rst
  ixpk= 1896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1226,1227,1217,1218,
 igr2= 219, 220, 221,
 &end
#
#    0 AMB  20-2:1898     0 AMB  20-1:1898   4.50    (#   1898:20  Double Ambig)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 672, 673, 672, 673,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   42 PRO  HD-           0 AMB  20-1:1899   4.50    (#   1899:20  Single Ambig)
 &rst
  ixpk= 1899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 672, 673,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   41 VAL  HB            0 AMB  20-1:1900   2.80    (#   1900:20  Single Ambig)
 &rst
  ixpk= 1900, nxpk= 20, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:1901     0 AMB  20-1:1901   3.50    (#   1901:20  Double Ambig)
 &rst
  ixpk= 1901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 678, 679, 640, 641, 640, 641,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:1902     0 AMB  20-1:1902   3.50    (#   1902:20  Double Ambig)
 &rst
  ixpk= 1902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 706, 707, 706, 707, 706, 707,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   44 ARG  HB-           0 AMB  20-1:1903   3.50    (#   1903:20  Single Ambig)
 &rst
  ixpk= 1903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 703, 704,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   12 PHE  HD           79 THR  MG2         5.50    (#   1904:20  Unique    3.11, 6.56 A)
 &rst
  ixpk= 1904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 182, 190,
 igr2=1260,1261,1262,
 &end
#
#    0 AMB  20-2:1906    79 THR  MG2         4.50    (#   1906:20  Single Ambig)
 &rst
  ixpk= 1906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 178, 179,  67,  68,
 igr2=1260,1261,1262,
 &end
#
#    2 GLN  HG+          79 THR  MG2         3.50    (#   1907:20  Unique    2.30, 4.79 A)
 &rst
  ixpk= 1907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  21,  22,
 igr2=1260,1261,1262,
 &end
#
#    0 AMB  20-2:1908    79 THR  MG2         4.50    (#   1908:20  Single Ambig)
 &rst
  ixpk= 1908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1223,1224,1223,1224,1308,1309,1308,1309,
 igr2=1260,1261,1262,
 &end
#
#    0 AMB  20-2:1909    61 ALA  MB          5.50    (#   1909:20  Single Ambig)
 &rst
  ixpk= 1909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1017,1018,1019, 960, 961, 962,
 igr2= 970, 971, 972,
 &end
#
#    0 AMB  20-2:1911    47 ILE  MG2         2.80    (#   1911:20  Single Ambig)
 &rst
  ixpk= 1911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 756, 703, 704,
 igr2= 758, 759, 760,
 &end
#
#   14 THR  MG2          47 ILE  MG2         2.80    (#   1912:20  Unique    2.21, 4.12 A)
 &rst
  ixpk= 1912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 219, 220, 221,
 igr2= 758, 759, 760,
 &end
#
#   47 ILE  HG1-         47 ILE  MG2         3.50    (#   1913:20  Unique    2.31, 3.44 A)
 &rst
  ixpk= 1913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 762, 763,
 igr2= 758, 759, 760,
 &end
#
#   38 VAL  MGX          25 LEU  HB-         4.50    (#   1917:20  Unique    2.10, 3.51 A)
 &rst
  ixpk= 1917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 385, 386,
 &end
#
#   38 VAL  MGY          25 LEU  HB-         4.50    (#   1918:20  Unique    2.10, 3.51 A)
 &rst
  ixpk= 1918, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 385, 386,
 &end
#
#   25 LEU  MDX          25 LEU  HB-         2.80    (#   1919:20  Unique         2.37, 3.35 A)
 &rst
  ixpk= 1919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 385, 386,
 &end
#
#   25 LEU  HA           25 LEU  HB-         4.50    (#   1921:20  Unique    2.43, 2.75 A)
 &rst
  ixpk= 1921, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 385, 386,
 &end
#
#    0 AMB  20-2:1922    25 LEU  HB-         4.50    (#   1922:20  Single Ambig)
 &rst
  ixpk= 1922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 381, 457, 461,
 igr2= 385, 386,
 &end
#
#   25 LEU  HA           25 LEU  HB+         4.50    (#   1923:20  Unique    2.43, 2.75 A)
 &rst
  ixpk= 1923, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 385, 386,
 &end
#
#   38 VAL  MGX          25 LEU  HB+         4.50    (#   1925:20  Unique    2.10, 3.51 A)
 &rst
  ixpk= 1925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 385, 386,
 &end
#
#   38 VAL  MGY          25 LEU  HB+         4.50    (#   1926:20  Unique    2.10, 3.51 A)
 &rst
  ixpk= 1926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 602, 603, 604, 606, 607, 608,
 igr2= 385, 386,
 &end
#
#   25 LEU  MDX          25 LEU  HB+         4.50    (#   1927:20  Unique    2.37, 3.35 A)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 385, 386,
 &end
#
#   25 LEU  HG           25 LEU  HB+         5.50    (#   1928:20  Unique    2.34, 2.70 A)
 &rst
  ixpk= 1928, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 385, 386,
 &end
#
#   39 ARG  HG+          39 ARG  HD-         3.50    (#   1929:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 619, 620,
 igr2= 622, 623,
 &end
#
#   39 ARG  HG-          39 ARG  HD-         4.50    (#   1930:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 619, 620,
 igr2= 622, 623,
 &end
#
#   39 ARG  HG-          39 ARG  HD+         4.50    (#   1931:20  Unique    2.22, 2.71 A)
 &rst
  ixpk= 1931, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 619, 620,
 igr2= 622, 623,
 &end
#
#   44 ARG  HB-          44 ARG  HD-         5.50    (#   1932:20  Unique    2.47, 3.45 A)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 703, 704,
 igr2= 709, 710,
 &end
#
#   44 ARG  HB+          44 ARG  HD-         4.50    (#   1933:20  Unique    2.47, 3.45 A)
 &rst
  ixpk= 1933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 703, 704,
 igr2= 709, 710,
 &end
#
#   44 ARG  HB-          44 ARG  HD+         5.50    (#   1934:20  Unique    2.47, 3.45 A)
 &rst
  ixpk= 1934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 703, 704,
 igr2= 709, 710,
 &end
#
#   44 ARG  HB+          44 ARG  HD+         4.50    (#   1935:20  Unique    2.47, 3.45 A)
 &rst
  ixpk= 1935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 703, 704,
 igr2= 709, 710,
 &end
#
#   47 ILE  MD1          44 ARG  HD-         5.50    (#   1936:20  Unique    2.38, 4.74 A)
 &rst
  ixpk= 1936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 765, 766, 767,
 igr2= 709, 710,
 &end
#
#   47 ILE  MD1          44 ARG  HD+         5.50    (#   1937:20  Unique    2.38, 4.74 A)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 765, 766, 767,
 igr2= 709, 710,
 &end
#
#   44 ARG  HD-          47 ILE  MD1         4.50    (#   1941:20  Unique    2.38, 4.74 A)
 &rst
  ixpk= 1941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 709, 710,
 igr2= 765, 766, 767,
 &end
#
#   44 ARG  HD+          47 ILE  MD1         5.50    (#   1942:20  Unique    2.38, 4.74 A)
 &rst
  ixpk= 1942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 709, 710,
 igr2= 765, 766, 767,
 &end
#
#    0 AMB  20-2:1943    10 ILE  MD1         3.50    (#   1943:20  Single Ambig)
 &rst
  ixpk= 1943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 126, 127, 126, 127,
 igr2= 149, 150, 151,
 &end
#
#   51 GLU  HG+          10 ILE  MD1         3.50    (#   1944:20  Unique    2.30, 5.12 A)
 &rst
  ixpk= 1944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 824, 825,
 igr2= 149, 150, 151,
 &end
#
#   51 GLU  HG-          10 ILE  MD1         4.50    (#   1945:20  Unique    2.30, 5.12 A)
 &rst
  ixpk= 1945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 824, 825,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  20-2:1946    10 ILE  MD1         3.50    (#   1946:20  Single Ambig)
 &rst
  ixpk= 1946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1327,1328,1327,1328,
 igr2= 149, 150, 151,
 &end
#
#   10 ILE  MG2          10 ILE  MD1         2.80    (#   1947:20  Unique    2.22, 3.67 A)
 &rst
  ixpk= 1947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 142, 143, 144,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  20-2:1949    10 ILE  MD1         2.80    (#   1949:20  Single Ambig)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1324,1325,1324,1325, 140,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  20-2:1950    10 ILE  MD1         2.80    (#   1950:20  Single Ambig)
 &rst
  ixpk= 1950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1330,1331,1330,1331,
 igr2= 149, 150, 151,
 &end
#
#   66 GLN  HE2-         62 LYS  HE+         5.50    (#   1955:20  Unique    2.22, 3.62 A)
 &rst
  ixpk= 1955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1054,1055,
 igr2= 989, 990,
 &end
#
#   66 GLN  HE2-         62 LYS  HE-         5.50    (#   1956:20  Unique    2.22, 3.62 A)
 &rst
  ixpk= 1956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1054,1055,
 igr2= 989, 990,
 &end
#
#   66 GLN  HE2+         62 LYS  HE-         4.50    (#   1957:20  Unique    2.22, 3.62 A)
 &rst
  ixpk= 1957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2= 989, 990,
 &end
#
#   79 THR  MG2          62 LYS  HE+         5.50    (#   1960:20  Unique    4.20, 6.69 A)
 &rst
  ixpk= 1960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1260,1261,1262,
 igr2= 989, 990,
 &end
#
#   79 THR  MG2          62 LYS  HE-         5.50    (#   1961:20  Unique    4.20, 6.69 A)
 &rst
  ixpk= 1961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1260,1261,1262,
 igr2= 989, 990,
 &end
#
#    0 AMB  20-2:1962    62 LYS  HE-         5.50    (#   1962:20  Single Ambig)
 &rst
  ixpk= 1962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 983, 984, 983, 984,
 igr2= 989, 990,
 &end
#
#    0 AMB  20-2:1963     0 AMB  20-1:1963   5.50    (#   1963:20  Double Ambig)
 &rst
  ixpk= 1963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 983, 984, 983, 984,
 igr2= 989, 990, 989, 990,
 &end
#
#    4 GLU  HN            3 THR  HB          4.50    (#   1966:20  Unique    2.02, 3.45 A)
 &rst
  ixpk= 1966, nxpk= 20, iat=  45,  35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HN           29 PHE  HB-         4.50    (#   1968:20  Unique    2.35, 3.00 A)
 &rst
  ixpk= 1968, nxpk= 20, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 451, 452,
 &end
#
#   35 PHE  HZ           29 PHE  HB-         4.50    (#   1969:20  Unique    3.74, 4.43 A)
 &rst
  ixpk= 1969, nxpk= 20, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 451, 452,
 &end
#
#   29 PHE  HD           29 PHE  HB-         4.50    (#   1970:20  Unique    2.31, 3.08 A)
 &rst
  ixpk= 1970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 455, 463,
 igr2= 451, 452,
 &end
#
#   25 LEU  HA           28 LEU  HB-         5.50    (#   1971:20  Unique    2.33, 3.26 A)
 &rst
  ixpk= 1971, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 432, 433,
 &end
#
#   76 MET  ME           28 LEU  HB-         4.50    (#   1972:20  Unique    3.52, 4.70 A)
 &rst
  ixpk= 1972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2= 432, 433,
 &end
#
#   12 PHE  HN           49 PHE  HB-         7.00    (#   1973:20  Unique    5.76, 6.71 A)
 &rst
  ixpk= 1973, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 785, 786,
 &end
#
#   65 LEU  MDY           0 AMB  20-1:1975   4.50    (#   1975:20  Single Ambig)
 &rst
  ixpk= 1975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1027,1028,1027,1028,
 &end
#
#   68 PHE  HA           68 PHE  HB-         4.50    (#   1982:20  Unique    2.42, 2.74 A)
 &rst
  ixpk= 1982, nxpk= 20, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1070,1071,
 &end
#
#   76 MET  ME           68 PHE  HB-         4.50    (#   1983:20  Unique    3.06, 4.98 A)
 &rst
  ixpk= 1983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1070,1071,
 &end
#
#    0 AMB  20-2:1986     0 AMB  20-1:1986   4.50    (#   1986:20  Double Ambig)
 &rst
  ixpk= 1986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 519, 520, 469,
 igr2= 502, 503, 543, 544,
 &end
#
#   32 PHE  HN            0 AMB  20-1:1989   4.50    (#   1989:20  Single Ambig)
 &rst
  ixpk= 1989, nxpk= 20, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 502, 503, 543, 544,
 &end
#
#   32 PHE  HA           32 PHE  HB-         5.50    (#   1991:20  Unique    2.36, 2.70 A)
 &rst
  ixpk= 1991, nxpk= 20, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 502, 503,
 &end
#
#   30 ASN  HA           35 PHE  HB-         5.50    (#   1993:20  Unique    2.70, 4.04 A)
 &rst
  ixpk= 1993, nxpk= 20, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 543, 544,
 &end
#
#   20 THR  HA           20 THR  HB          3.50    (#   1995:20  Unique    3.04, 3.05 A)
 &rst
  ixpk= 1995, nxpk= 20, iat= 306, 308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1996    20 THR  HB          5.50    (#   1996:20  Single Ambig)
 &rst
  ixpk= 1996, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 368, 369, 281, 282, 281, 282,1207,1208,1209,
 &end
#
#   15 ASN  HN           15 ASN  HB+         4.50    (#   1997:20  Unique    3.01, 3.36 A)
 &rst
  ixpk= 1997, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#   76 MET  HA           15 ASN  HB+         4.50    (#   1998:20  Unique    3.63, 4.58 A)
 &rst
  ixpk= 1998, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:1999    15 ASN  HB-         5.50    (#   1999:20  Single Ambig)
 &rst
  ixpk= 1999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1220,1221,1220,1221,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:2001    70 ILE  HB          5.50    (#   2001:20  Single Ambig)
 &rst
  ixpk= 2001, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1131,1188,1129,
 &end
#
#   76 MET  ME           70 ILE  HB          4.50    (#   2003:20  Unique    4.96, 5.64 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1207,1208,1209,
 &end
#
#   70 ILE  HG1+         70 ILE  HB          4.50    (#   2004:20  Unique    2.55, 2.80 A)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1118,1119,
 &end
#
#    0 AMB  20-2:2005    10 ILE  HB          4.50    (#   2005:20  Single Ambig)
 &rst
  ixpk= 2005, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1292,1293,1294,1327,1328,1327,1328,
 &end
#
#   53 THR  HB           53 THR  HA          3.50    (#   2006:20  Unique    3.04, 3.05 A)
 &rst
  ixpk= 2006, nxpk= 20, iat= 856, 854, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 LYS  HD+          53 THR  HA          4.50    (#   2007:20  Unique    2.21, 3.09 A)
 &rst
  ixpk= 2007, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 569, 570,
 &end
#
#   54 THR  HN           53 THR  HA          4.50    (#   2008:20  Unique    3.61, 3.63 A)
 &rst
  ixpk= 2008, nxpk= 20, iat= 866, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLN  HE2+         53 THR  HA          5.50    (#   2009:20  Unique    3.42, 3.63 A)
 &rst
  ixpk= 2009, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 131, 132,
 &end
#
#    0 AMB  20-2:2010    20 THR  HA          4.50    (#   2010:20  Single Ambig)
 &rst
  ixpk= 2010, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 308, 291,
 &end
#
#    0 AMB  20-2:2011    72 PRO  HA          5.50    (#   2011:20  Single Ambig)
 &rst
  ixpk= 2011, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1088,1129,1131,
 &end
#
#   69 LYS  HD+          72 PRO  HA          4.50    (#   2012:20  Unique    2.47, 3.64 A)
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1096,1097,
 &end
#
#    0 AMB  20-2:2013    72 PRO  HA          4.50    (#   2013:20  Single Ambig)
 &rst
  ixpk= 2013, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1090,1091,1096,1097,1093,1094,
 &end
#
#   69 LYS  HB-          72 PRO  HA          5.50    (#   2014:20  Unique    2.45, 3.43 A)
 &rst
  ixpk= 2014, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1090,1091,
 &end
#
#   64 ALA  HN           63 GLU  HG-         4.50    (#   2015:20  Unique    2.81, 4.73 A)
 &rst
  ixpk= 2015, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1005,1006,
 &end
#
#   59 ASN  HD2+         63 GLU  HG+         5.50    (#   2016:20  Unique    3.04, 4.31 A)
 &rst
  ixpk= 2016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 951, 952,
 igr2=1005,1006,
 &end
#
#   59 ASN  HD2+         63 GLU  HG-         5.50    (#   2017:20  Unique    3.04, 4.31 A)
 &rst
  ixpk= 2017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 951, 952,
 igr2=1005,1006,
 &end
#
#    7 PRO  HD-           6 PRO  HA          2.80    (#   2018:20  Unique    2.12, 2.49 A)
 &rst
  ixpk= 2018, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  92,  93,
 &end
#
#    6 PRO  HB+           6 PRO  HA          2.80    (#   2019:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  84,  85,
 &end
#
#    6 PRO  HG+           6 PRO  HA          4.50    (#   2020:20  Unique    2.74, 3.34 A)
 &rst
  ixpk= 2020, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  81,  82,
 &end
#
#    6 PRO  HB-           6 PRO  HA          3.50    (#   2021:20  Unique    2.39, 2.71 A)
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  84,  85,
 &end
#
#    7 PRO  HG-           6 PRO  HA          5.50    (#   2022:20  Unique    4.32, 4.56 A)
 &rst
  ixpk= 2022, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  95,  96,
 &end
#
#   17 PRO  HB+          17 PRO  HA          3.50    (#   2023:20  Unique    2.31, 2.54 A)
 &rst
  ixpk= 2023, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 267, 268,
 &end
#
#   11 LEU  HN           11 LEU  MDX         4.50    (#   2024:20  Unique    2.63, 4.80 A)
 &rst
  ixpk= 2024, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   11 LEU  HN           11 LEU  MDY         5.50    (#   2025:20  Unique    2.63, 4.80 A)
 &rst
  ixpk= 2025, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   41 VAL  HN           48 ALA  MB          5.50    (#   2026:20  Unique    4.02, 5.05 A)
 &rst
  ixpk= 2026, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 775, 776, 777,
 &end
#
#   11 LEU  HN           50 VAL  MGY         5.50    (#   2027:20  Unique    4.38, 5.47 A)
 &rst
  ixpk= 2027, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   55 GLU  HN            0 AMB  20-1:2028   4.50    (#   2028:20  Single Ambig)
 &rst
  ixpk= 2028, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 884, 885, 884, 885,
 &end
#
#   78 ILE  HN           78 ILE  HB          5.50    (#   2029:20  Unique    2.58, 2.66 A)
 &rst
  ixpk= 2029, nxpk= 20, iat=1235,1239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ILE  HN            0 AMB  20-1:2030   5.50    (#   2030:20  Single Ambig)
 &rst
  ixpk= 2030, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1223,1224,1223,1224,
 &end
#
#   12 PHE  HN           81 ALA  HA          4.50    (#   2031:20  Unique    3.61, 3.98 A)
 &rst
  ixpk= 2031, nxpk= 20, iat= 174,1290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLN  HN           55 GLU  HA          4.50    (#   2032:20  Unique    3.44, 3.50 A)
 &rst
  ixpk= 2032, nxpk= 20, iat= 119, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 SER  HN           27 MET  HA          5.50    (#   2033:20  Unique    5.31, 5.39 A)
 &rst
  ixpk= 2033, nxpk= 20, iat= 400, 413, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 SER  HN           24 MET  HA          5.50    (#   2034:20  Unique    4.43, 4.53 A)
 &rst
  ixpk= 2034, nxpk= 20, iat= 400, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 SER  HN           22 GLU  HA          5.50    (#   2036:20  Unique    3.95, 4.12 A)
 &rst
  ixpk= 2036, nxpk= 20, iat= 400, 334, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HE           44 ARG  HD-         5.50    (#   2037:20  Unique    2.29, 2.80 A)
 &rst
  ixpk= 2037, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   13 LEU  HN           13 LEU  HA          4.50    (#   2039:20  Unique    2.97, 2.98 A)
 &rst
  ixpk= 2039, nxpk= 20, iat= 194, 196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 ALA  HN           11 LEU  HA          4.50    (#   2040:20  Unique    2.15, 2.47 A)
 &rst
  ixpk= 2040, nxpk= 20, iat=1288, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2042     0 AMB  20-1:2042   4.50    (#   2042:20  Double Ambig)
 &rst
  ixpk= 2042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 712, 817,
 igr2= 703, 704, 821, 822, 821, 822,
 &end
#
#   15 ASN  HN           16 LEU  HG          4.50    (#   2044:20  Unique    4.02, 4.13 A)
 &rst
  ixpk= 2044, nxpk= 20, iat= 227, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 LYS  HN            0 AMB  20-1:2047   4.50    (#   2047:20  Single Ambig)
 &rst
  ixpk= 2047, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1330,1331,1330,1331,
 &end
#
#   82 LYS  HN            0 AMB  20-1:2048   4.50    (#   2048:20  Single Ambig)
 &rst
  ixpk= 2048, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1327,1328,1327,1328,
 &end
#
#   83 LYS  HN            0 AMB  20-1:2049   4.50    (#   2049:20  Single Ambig)
 &rst
  ixpk= 2049, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1327,1328,1327,1328,
 &end
#
#   23 MET  HN           40 LEU  MDX         4.50    (#   2050:20  Unique    4.82, 6.37 A)
 &rst
  ixpk= 2050, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:2051     0 AMB  20-1:2051   5.50    (#   2051:20  Double Ambig)
 &rst
  ixpk= 2051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 213,1059,
 igr2=1220,1221,1220,1221,1220,1221,
 &end
#
#    0 AMB  20-2:2052     0 AMB  20-1:2052   5.50    (#   2052:20  Double Ambig)
 &rst
  ixpk= 2052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 213,1059,
 igr2=1220,1221,1220,1221,1220,1221,
 &end
#
#    5 GLN  HN            5 GLN  HA          4.50    (#   2054:20  Unique    2.83, 2.92 A)
 &rst
  ixpk= 2054, nxpk= 20, iat=  60,  62, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 GLU  HN           19 GLU  HB+         4.50    (#   2057:20  Unique    2.40, 3.00 A)
 &rst
  ixpk= 2057, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 293, 294,
 &end
#
#   75 ALA  HN           75 ALA  MB          4.50    (#   2060:20  Unique    2.40, 2.91 A)
 &rst
  ixpk= 2060, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1190,1191,1192,
 &end
#
#   63 GLU  HN           64 ALA  HA          5.50    (#   2062:20  Unique    5.34, 5.37 A)
 &rst
  ixpk= 2062, nxpk= 20, iat= 998,1015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 LEU  HN           16 LEU  HA          4.50    (#   2064:20  Unique    2.90, 2.94 A)
 &rst
  ixpk= 2064, nxpk= 20, iat= 241, 243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ILE  HN           69 LYS  HD+         4.50    (#   2065:20  Unique    4.20, 4.42 A)
 &rst
  ixpk= 2065, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#   77 LYS  HN           13 LEU  HG          5.50    (#   2066:20  Unique    4.25, 4.46 A)
 &rst
  ixpk= 2066, nxpk= 20, iat=1213, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2067     0 AMB  20-1:2067   4.50    (#   2067:20  Double Ambig)
 &rst
  ixpk= 2067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1108,1213,
 igr2=1096,1097, 201,
 &end
#
#    0 AMB  20-2:2068    78 ILE  MD1         5.50    (#   2068:20  Single Ambig)
 &rst
  ixpk= 2068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 998,1213,
 igr2=1248,1249,1250,
 &end
#
#   27 MET  HN           38 VAL  MGX         5.50    (#   2069:20  Unique    5.33, 6.94 A)
 &rst
  ixpk= 2069, nxpk= 20, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   59 ASN  HN           56 LEU  MDY         7.00    (#   2070:20  Unique    5.12, 6.82 A)
 &rst
  ixpk= 2070, nxpk= 20, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   15 ASN  HD2+         74 HIS  HA          4.50    (#   2071:20  Unique    2.61, 3.14 A)
 &rst
  ixpk= 2071, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 236, 237,
 &end
#
#   27 MET  HN           24 MET  HA          4.50    (#   2072:20  Unique    3.59, 3.67 A)
 &rst
  ixpk= 2072, nxpk= 20, iat= 411, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 MET  HN           23 MET  HA          4.50    (#   2073:20  Unique    3.73, 3.83 A)
 &rst
  ixpk= 2073, nxpk= 20, iat= 411, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ALA  HN           59 ASN  HA          3.50    (#   2076:20  Unique    3.56, 3.57 A)
 &rst
  ixpk= 2076, nxpk= 20, iat= 956, 944, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LEU  HN           24 MET  HA          4.50    (#   2078:20  Unique    3.54, 3.55 A)
 &rst
  ixpk= 2078, nxpk= 20, iat= 381, 366, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 GLN  HN           65 LEU  HA          4.50    (#   2079:20  Unique    3.35, 3.37 A)
 &rst
  ixpk= 2079, nxpk= 20, iat=1042,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ASN  HD2-         27 MET  HA          4.50    (#   2080:20  Unique    3.23, 4.76 A)
 &rst
  ixpk= 2080, nxpk= 20, iat=  -1, 413, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 476, 477,
 &end
#
#   57 GLN  HE2+         53 THR  MG2         4.50    (#   2081:20  Unique    2.63, 3.92 A)
 &rst
  ixpk= 2081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 926, 927,
 igr2= 858, 859, 860,
 &end
#
#   52 PHE  HD           11 LEU  MDX         4.50    (#   2082:20  Unique    2.66, 6.42 A)
 &rst
  ixpk= 2082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 840, 848,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   21 ASN  HN           40 LEU  MDY         5.50    (#   2083:20  Unique    3.62, 5.46 A)
 &rst
  ixpk= 2083, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   12 PHE  HE           14 THR  MG2         4.50    (#   2084:20  Unique    2.71, 4.03 A)
 &rst
  ixpk= 2084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 184, 188,
 igr2= 219, 220, 221,
 &end
#
#   21 ASN  HN           20 THR  MG2         3.50    (#   2085:20  Unique    2.21, 2.83 A)
 &rst
  ixpk= 2085, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 310, 311, 312,
 &end
#
#   12 PHE  HE           48 ALA  HA          5.50    (#   2086:20  Unique    4.52, 6.57 A)
 &rst
  ixpk= 2086, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 184, 188,
 &end
#
#   35 PHE  HZ           26 SER  HB-         4.50    (#   2092:20  Unique    2.64, 3.65 A)
 &rst
  ixpk= 2092, nxpk= 20, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 404, 405,
 &end
#
#   35 PHE  HZ           26 SER  HB+         5.50    (#   2093:20  Unique    2.64, 3.65 A)
 &rst
  ixpk= 2093, nxpk= 20, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   49 PHE  HE           12 PHE  HA          5.50    (#   2094:20  Unique    3.83, 4.93 A)
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 791, 795,
 &end
#
#   43 ASN  HD2-         43 ASN  HB+         4.50    (#   2095:20  Unique    2.19, 3.32 A)
 &rst
  ixpk= 2095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 694, 695,
 igr2= 689, 690,
 &end
#
#   28 LEU  HN           27 MET  HA          4.50    (#   2096:20  Unique    3.56, 3.60 A)
 &rst
  ixpk= 2096, nxpk= 20, iat= 428, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HE           70 ILE  HG1+        4.50    (#   2097:20  Unique    3.14, 5.52 A)
 &rst
  ixpk= 2097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1076,1080,
 igr2=1118,1119,
 &end
#
#   12 PHE  HE           49 PHE  HB+         7.00    (#   2099:20  Unique    6.05, 7.95 A)
 &rst
  ixpk= 2099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 184, 188,
 igr2= 785, 786,
 &end
#
#   49 PHE  HD           49 PHE  HB-         4.50    (#   2100:20  Unique    2.35, 3.08 A)
 &rst
  ixpk= 2100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 789, 797,
 igr2= 785, 786,
 &end
#
#   68 PHE  HD           68 PHE  HB-         4.50    (#   2101:20  Unique    2.41, 3.08 A)
 &rst
  ixpk= 2101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1082,
 igr2=1070,1071,
 &end
#
#   59 ASN  HD2-          0 AMB  20-1:2102   5.50    (#   2102:20  Single Ambig)
 &rst
  ixpk= 2102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 951, 952,
 igr2= 946, 947, 946, 947,
 &end
#
#   28 LEU  HN           30 ASN  HB+         5.50    (#   2103:20  Unique    4.70, 5.25 A)
 &rst
  ixpk= 2103, nxpk= 20, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 471, 472,
 &end
#
#   68 PHE  HD           68 PHE  HB-         4.50    (#   2105:20  Unique    2.41, 3.08 A)
 &rst
  ixpk= 2105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1082,
 igr2=1070,1071,
 &end
#
#    9 GLN  HE2-         53 THR  HA          5.50    (#   2106:20  Unique    3.42, 3.63 A)
 &rst
  ixpk= 2106, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 131, 132,
 &end
#
#    8 ASN  HD2-          8 ASN  HB+         4.50    (#   2108:20  Unique    2.24, 3.20 A)
 &rst
  ixpk= 2108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 114, 115,
 igr2= 109, 110,
 &end
#
#   60 ALA  HN           56 LEU  MDY         7.00    (#   2109:20  Unique    5.51, 7.15 A)
 &rst
  ixpk= 2109, nxpk= 20, iat= 956,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   68 PHE  HD           70 ILE  HG1+        4.50    (#   2117:20  Unique    2.43, 4.76 A)
 &rst
  ixpk= 2117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1082,
 igr2=1118,1119,
 &end
#
#   68 PHE  HD           70 ILE  HG1-        4.50    (#   2118:20  Unique    2.43, 4.76 A)
 &rst
  ixpk= 2118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1074,1082,
 igr2=1118,1119,
 &end
#
#   68 PHE  HD           70 ILE  HA          4.50    (#   2119:20  Unique    3.09, 4.88 A)
 &rst
  ixpk= 2119, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1074,1082,
 &end
#
#   57 GLN  HE2-         53 THR  MG2         4.50    (#   2120:20  Unique    2.63, 3.92 A)
 &rst
  ixpk= 2120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 926, 927,
 igr2= 858, 859, 860,
 &end
#
#   31 GLN  HN           30 ASN  HA          4.50    (#   2122:20  Unique    3.47, 3.50 A)
 &rst
  ixpk= 2122, nxpk= 20, iat= 481, 469, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 GLN  HN           30 ASN  HB+         4.50    (#   2123:20  Unique    3.12, 3.87 A)
 &rst
  ixpk= 2123, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 471, 472,
 &end
#
#   12 PHE  HD           12 PHE  HB+         4.50    (#   2129:20  Unique    2.36, 3.10 A)
 &rst
  ixpk= 2129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 190,
 igr2= 178, 179,
 &end
#
#   35 PHE  HD           35 PHE  HB-         4.50    (#   2130:20  Unique         2.26, 3.06 A)
 &rst
  ixpk= 2130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 547, 555,
 igr2= 543, 544,
 &end
#
#   35 PHE  HD           35 PHE  HB+         3.50    (#   2131:20  Unique    2.26, 3.06 A)
 &rst
  ixpk= 2131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 547, 555,
 igr2= 543, 544,
 &end
#
#   49 PHE  HA           13 LEU  MDY         5.50    (#   2133:20  Unique    3.46, 5.35 A)
 &rst
  ixpk= 2133, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   49 PHE  HA           48 ALA  MB          5.50    (#   2135:20  Unique    4.35, 4.85 A)
 &rst
  ixpk= 2135, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 775, 776, 777,
 &end
#
#    0 AMB  20-2:2136    48 ALA  MB          5.50    (#   2136:20  Single Ambig)
 &rst
  ixpk= 2136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 196, 176,
 igr2= 775, 776, 777,
 &end
#
#   14 THR  HA           15 ASN  HA          4.50    (#   2138:20  Unique    4.42, 4.46 A)
 &rst
  ixpk= 2138, nxpk= 20, iat= 215, 229, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HA           81 ALA  HA          4.50    (#   2139:20  Unique    4.09, 4.38 A)
 &rst
  ixpk= 2139, nxpk= 20, iat= 157,1290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 ALA  HA           49 PHE  HB-         5.50    (#   2152:20  Unique    4.58, 5.25 A)
 &rst
  ixpk= 2152, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 785, 786,
 &end
#
#   59 ASN  HA            0 AMB  20-1:2155   4.50    (#   2155:20  Single Ambig)
 &rst
  ixpk= 2155, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 946, 947, 946, 947,
 &end
#
#   79 THR  HA           78 ILE  MG2         5.50    (#   2156:20  Unique    3.48, 4.75 A)
 &rst
  ixpk= 2156, nxpk= 20, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1241,1242,1243,
 &end
#
#   48 ALA  HA           38 VAL  MGY         5.50    (#   2157:20  Unique    5.07, 7.35 A)
 &rst
  ixpk= 2157, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   48 ALA  HA           13 LEU  MDY         7.00    (#   2158:20  Unique    5.86, 7.21 A)
 &rst
  ixpk= 2158, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2159    25 LEU  HG          7.00    (#   2159:20  Single Ambig)
 &rst
  ixpk= 2159, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 773, 243,
 &end
#
#   66 GLN  HA           66 GLN  HG+         4.50    (#   2165:20  Unique    2.22, 3.18 A)
 &rst
  ixpk= 2165, nxpk= 20, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1049,1050,
 &end
#
#   68 PHE  HA           68 PHE  HB+         4.50    (#   2166:20  Unique    2.42, 2.74 A)
 &rst
  ixpk= 2166, nxpk= 20, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1070,1071,
 &end
#
#   28 LEU  HA           28 LEU  HG          4.50    (#   2168:20  Unique    2.88, 2.93 A)
 &rst
  ixpk= 2168, nxpk= 20, iat= 430, 435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 PRO  HG-          33 PRO  HD-         4.50    (#   2179:20  Unique    2.31, 2.60 A)
 &rst
  ixpk= 2179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 522, 523,
 igr2= 519, 520,
 &end
#
#   42 PRO  HG+          42 PRO  HD-         3.50    (#   2180:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 2180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 672, 673,
 &end
#
#   42 PRO  HG+          42 PRO  HD+         3.50    (#   2181:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 2181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 672, 673,
 &end
#
#   29 PHE  HB-          50 VAL  MGY         4.50    (#   2183:20  Unique    3.17, 4.92 A)
 &rst
  ixpk= 2183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 451, 452,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#    0 AMB  20-2:2184    13 LEU  MDX         5.50    (#   2184:20  Single Ambig)
 &rst
  ixpk= 2184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1200,1201, 451, 452,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   62 LYS  HE-          62 LYS  HD-         4.50    (#   2185:20  Unique    2.29, 2.71 A)
 &rst
  ixpk= 2185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 989, 990,
 igr2= 986, 987,
 &end
#
#   62 LYS  HE-          62 LYS  HD+         4.50    (#   2186:20  Unique    2.29, 2.71 A)
 &rst
  ixpk= 2186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 989, 990,
 igr2= 986, 987,
 &end
#
#    0 AMB  20-2:2192    11 LEU  MDY         4.50    (#   2192:20  Single Ambig)
 &rst
  ixpk= 2192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 946, 947, 946, 947,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:2193    56 LEU  MDY         4.50    (#   2193:20  Single Ambig)
 &rst
  ixpk= 2193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 946, 947, 946, 947,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   62 LYS  HB+          62 LYS  HA          4.50    (#   2194:20  Unique    2.31, 2.70 A)
 &rst
  ixpk= 2194, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 980, 981,
 &end
#
#   56 LEU  HB-          54 THR  MG2         4.50    (#   2196:20  Unique    4.57, 6.22 A)
 &rst
  ixpk= 2196, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 899, 900,
 igr2= 872, 873, 874,
 &end
#
#   25 LEU  MDY          38 VAL  MGX         3.50    (#   2197:20  Unique    2.35, 5.62 A)
 &rst
  ixpk= 2197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:2198    41 VAL  MGX         4.50    (#   2198:20  Single Ambig)
 &rst
  ixpk= 2198, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 706, 707, 706, 707,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   39 ARG  HG+          38 VAL  MGX         5.50    (#   2199:20  Unique    4.95, 7.34 A)
 &rst
  ixpk= 2199, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 619, 620,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#    0 AMB  20-2:2201     0 AMB  20-1:2201   2.80    (#   2201:20  Double Ambig)
 &rst
  ixpk= 2201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1093,1094,1096,1097,
 igr2=1099,1100,1099,1100,
 &end
#
#   76 MET  HG+          76 MET  HB+         3.50    (#   2202:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 2202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1203,1204,
 igr2=1200,1201,
 &end
#
#   76 MET  HG+          76 MET  HB-         3.50    (#   2203:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 2203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1203,1204,
 igr2=1200,1201,
 &end
#
#   26 SER  HB+          26 SER  HA          3.50    (#   2205:20  Unique    2.31, 2.73 A)
 &rst
  ixpk= 2205, nxpk= 20, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 404, 405,
 &end
#
#    0 AMB  20-2:2208     0 AMB  20-1:2208   5.50    (#   2208:20  Double Ambig)
 &rst
  ixpk= 2208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 942,1108,
 igr2= 933,1173,1174,
 &end
#
#    0 AMB  20-2:2209     0 AMB  20-1:2209   5.50    (#   2209:20  Double Ambig)
 &rst
  ixpk= 2209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 213,1059,
 igr2=1203,1204,1203,1204,
 &end
#
#   77 LYS  HN            0 AMB  20-1:2210   4.50    (#   2210:20  Single Ambig)
 &rst
  ixpk= 2210, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1203,1204,1203,1204,
 &end
#
#   76 MET  HN           76 MET  HG-         5.50    (#   2211:20  Unique    4.32, 4.40 A)
 &rst
  ixpk= 2211, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2212    76 MET  HG-         5.50    (#   2212:20  Single Ambig)
 &rst
  ixpk= 2212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1245,1246,1121,1122,1123,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2213    76 MET  HG-         4.50    (#   2213:20  Single Ambig)
 &rst
  ixpk= 2213, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,
 igr2=1203,1204,
 &end
#
#   76 MET  HB-          76 MET  HG+         3.50    (#   2214:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 2214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1200,1201,
 igr2=1203,1204,
 &end
#
#   76 MET  HB-          76 MET  HG-         3.50    (#   2215:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 2215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1200,1201,
 igr2=1203,1204,
 &end
#
#   76 MET  HB+          76 MET  HG-         3.50    (#   2216:20  Unique    2.44, 2.76 A)
 &rst
  ixpk= 2216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1200,1201,
 igr2=1203,1204,
 &end
#
#   77 LYS  HN           76 MET  HG-         4.50    (#   2217:20  Unique    2.85, 3.09 A)
 &rst
  ixpk= 2217, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1203,1204,
 &end
#
#   77 LYS  HN           76 MET  HG+         4.50    (#   2218:20  Unique    2.85, 3.09 A)
 &rst
  ixpk= 2218, nxpk= 20, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2219    76 MET  HG-         5.50    (#   2219:20  Single Ambig)
 &rst
  ixpk= 2219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 213,1059,
 igr2=1203,1204,
 &end
#
#   76 MET  HN           76 MET  HG+         4.50    (#   2220:20  Unique    4.32, 4.40 A)
 &rst
  ixpk= 2220, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1203,1204,
 &end
#
#   76 MET  HN           76 MET  HG-         5.50    (#   2221:20  Unique    4.32, 4.40 A)
 &rst
  ixpk= 2221, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1203,1204,
 &end
#
#   55 GLU  HG+          55 GLU  HA          3.50    (#   2222:20  Unique    2.59, 3.08 A)
 &rst
  ixpk= 2222, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 887, 888,
 &end
#
#    0 AMB  20-2:2223    55 GLU  HA          4.50    (#   2223:20  Single Ambig)
 &rst
  ixpk= 2223, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 126, 127, 126, 127, 921, 922, 921, 922,
 &end
#
#    0 AMB  20-2:2226     0 AMB  20-1:2226   5.50    (#   2226:20  Double Ambig)
 &rst
  ixpk= 2226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 231, 232, 231, 232,
 igr2=1220,1221,1220,1221,
 &end
#
#   82 LYS  HA           82 LYS  HG+         4.50    (#   2227:20  Unique    2.34, 2.78 A)
 &rst
  ixpk= 2227, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1305,1306,
 &end
#
#   50 VAL  HN           13 LEU  MDX         4.50    (#   2228:20  Unique    3.50, 5.59 A)
 &rst
  ixpk= 2228, nxpk= 20, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  HN           13 LEU  MDY         4.50    (#   2229:20  Unique    3.50, 5.59 A)
 &rst
  ixpk= 2229, nxpk= 20, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   78 ILE  HA           13 LEU  MDY         5.50    (#   2231:20  Unique    2.62, 4.78 A)
 &rst
  ixpk= 2231, nxpk= 20, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2232    13 LEU  MDY         4.50    (#   2232:20  Single Ambig)
 &rst
  ixpk= 2232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 383,1198,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   22 GLU  HA           25 LEU  HG          5.50    (#   2234:20  Unique    3.54, 3.77 A)
 &rst
  ixpk= 2234, nxpk= 20, iat= 334, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LEU  HA           16 LEU  HG          5.50    (#   2235:20  Unique    5.22, 5.37 A)
 &rst
  ixpk= 2235, nxpk= 20, iat= 196, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 THR  HA           16 LEU  HG          5.50    (#   2236:20  Unique    3.05, 3.21 A)
 &rst
  ixpk= 2236, nxpk= 20, iat= 215, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HA           16 LEU  HG          4.50    (#   2237:20  Unique    3.65, 3.86 A)
 &rst
  ixpk= 2237, nxpk= 20, iat= 742, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 ILE  HN           16 LEU  HG          5.50    (#   2238:20  Unique    4.43, 4.51 A)
 &rst
  ixpk= 2238, nxpk= 20, iat= 752, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2239    11 LEU  MDY         4.50    (#   2239:20  Single Ambig)
 &rst
  ixpk= 2239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 933, 109, 110,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   21 ASN  HB+          40 LEU  MDY         4.50    (#   2240:20  Unique    3.56, 6.37 A)
 &rst
  ixpk= 2240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 322, 323,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   48 ALA  HA           48 ALA  MB          2.80    (#   2241:20  Unique    2.45, 2.68 A)
 &rst
  ixpk= 2241, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 775, 776, 777,
 &end
#
#   13 LEU  HB+          48 ALA  MB          3.50    (#   2242:20  Unique    2.32, 3.75 A)
 &rst
  ixpk= 2242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 198, 199,
 igr2= 775, 776, 777,
 &end
#
#   55 GLU  HG-          56 LEU  MDY         4.50    (#   2243:20  Unique    4.94, 7.30 A)
 &rst
  ixpk= 2243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 887, 888,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:2244    56 LEU  MDY         2.80    (#   2244:20  Single Ambig)
 &rst
  ixpk= 2244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 902, 899, 900, 884, 885, 884, 885,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   56 LEU  HB-          56 LEU  MDY         3.50    (#   2245:20  Unique    2.42, 3.47 A)
 &rst
  ixpk= 2245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 899, 900,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   11 LEU  MDY          11 LEU  HA          3.50    (#   2246:20  Unique    2.11, 3.85 A)
 &rst
  ixpk= 2246, nxpk= 20, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:2247    13 LEU  HA          3.50    (#   2247:20  Single Ambig)
 &rst
  ixpk= 2247, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 201, 198, 199,
 &end
#
#    0 AMB  20-2:2248     0 AMB  20-1:2248   3.50    (#   2248:20  Double Ambig)
 &rst
  ixpk= 2248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 159, 160, 198, 199,
 igr2= 157, 196,
 &end
#
#   78 ILE  HA           13 LEU  HA          4.50    (#   2249:20  Unique    2.37, 2.43 A)
 &rst
  ixpk= 2249, nxpk= 20, iat=1237, 196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 THR  HN            0 AMB  20-1:2250   4.50    (#   2250:20  Single Ambig)
 &rst
  ixpk= 2250, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 196, 157,
 &end
#
#   13 LEU  MDX          13 LEU  HA          3.50    (#   2251:20  Unique    2.31, 3.93 A)
 &rst
  ixpk= 2251, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 203, 204, 205, 207, 208, 209,
 &end
#
#   13 LEU  MDY          13 LEU  HA          3.50    (#   2252:20  Unique    2.31, 3.93 A)
 &rst
  ixpk= 2252, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 203, 204, 205, 207, 208, 209,
 &end
#
#   14 THR  MG2          13 LEU  HA          4.50    (#   2253:20  Unique    3.65, 4.65 A)
 &rst
  ixpk= 2253, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 219, 220, 221,
 &end
#
#   39 ARG  HN           48 ALA  MB          5.50    (#   2254:20  Unique    3.50, 4.80 A)
 &rst
  ixpk= 2254, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 775, 776, 777,
 &end
#
#   47 ILE  HA           48 ALA  MB          5.50    (#   2255:20  Unique    4.19, 4.80 A)
 &rst
  ixpk= 2255, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 775, 776, 777,
 &end
#
#   22 GLU  HA            0 AMB  20-1:2256   5.50    (#   2256:20  Single Ambig)
 &rst
  ixpk= 2256, nxpk= 20, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 310, 311, 312, 775, 776, 777,
 &end
#
#   55 GLU  HN           53 THR  MG2         5.50    (#   2257:20  Unique    5.93, 6.94 A)
 &rst
  ixpk= 2257, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  20-2:2259    25 LEU  MDX         4.50    (#   2259:20  Single Ambig)
 &rst
  ixpk= 2259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 432, 433, 245, 246,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   65 LEU  MDY          64 ALA  HA          5.50    (#   2261:20  Unique    4.83, 6.54 A)
 &rst
  ixpk= 2261, nxpk= 20, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   25 LEU  MDX          28 LEU  HB-         5.50    (#   2262:20  Unique    3.44, 6.02 A)
 &rst
  ixpk= 2262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 432, 433,
 &end
#
#   11 LEU  MDX          81 ALA  MB          5.50    (#   2266:20  Unique    4.75, 7.55 A)
 &rst
  ixpk= 2266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 164, 165, 166, 168, 169, 170,
 igr2=1292,1293,1294,
 &end
#
#   47 ILE  MD1          47 ILE  HA          4.50    (#   2267:20  Unique    4.07, 4.73 A)
 &rst
  ixpk= 2267, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 765, 766, 767,
 &end
#
#   47 ILE  MD1          47 ILE  HG1-        3.50    (#   2269:20  Unique    2.29, 2.64 A)
 &rst
  ixpk= 2269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 765, 766, 767,
 igr2= 762, 763,
 &end
#
#   47 ILE  MG2          14 THR  MG2         3.50    (#   2271:20  Unique    2.21, 4.12 A)
 &rst
  ixpk= 2271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 758, 759, 760,
 igr2= 219, 220, 221,
 &end
#
#   14 THR  MG2          47 ILE  HA          3.50    (#   2272:20  Unique    3.21, 4.50 A)
 &rst
  ixpk= 2272, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 219, 220, 221,
 &end
#
#    0 AMB  20-2:2273    79 THR  HA          4.50    (#   2273:20  Single Ambig)
 &rst
  ixpk= 2273, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1241,1242,1243, 164, 165, 166, 168, 169, 170,
 &end
#
#   62 LYS  HD+          59 ASN  HA          4.50    (#   2274:20  Unique    2.72, 3.82 A)
 &rst
  ixpk= 2274, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 986, 987,
 &end
#
#   70 ILE  MD1          70 ILE  HG1+        3.50    (#   2275:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 2275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1121,1122,1123,
 igr2=1118,1119,
 &end
#
#    0 AMB  20-2:2278    41 VAL  HB          2.80    (#   2278:20  Single Ambig)
 &rst
  ixpk= 2278, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:2283    59 ASN  HA          3.50    (#   2283:20  Single Ambig)
 &rst
  ixpk= 2283, nxpk= 20, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 986, 987, 164, 165, 166, 168, 169, 170,
 &end
#
#    0 AMB  20-2:2284    83 LYS  HA          4.50    (#   2284:20  Single Ambig)
 &rst
  ixpk= 2284, nxpk= 20, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 149, 150, 151, 146, 147,
 &end
#
#   25 LEU  HG           25 LEU  MDY         4.50    (#   2285:20  Unique    2.36, 2.66 A)
 &rst
  ixpk= 2285, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   69 LYS  HG+          72 PRO  HD+         4.50    (#   2286:20  Unique    5.39, 6.80 A)
 &rst
  ixpk= 2286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1093,1094,
 igr2=1142,1143,
 &end
#
#   64 ALA  MB           64 ALA  HA          2.80    (#   2287:20  Unique    2.45, 2.66 A)
 &rst
  ixpk= 2287, nxpk= 20, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1017,1018,1019,
 &end
#
#    0 AMB  20-2:2288     0 AMB  20-1:2288   2.80    (#   2288:20  Double Ambig)
 &rst
  ixpk= 2288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1292,1293,1294,   8,   9,  10,1305,1306,
 igr2=1290,   6,
 &end
#
#   50 VAL  HB           38 VAL  MGY         4.50    (#   2290:20  Unique    4.61, 6.35 A)
 &rst
  ixpk= 2290, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   50 VAL  HB           38 VAL  MGX         4.50    (#   2291:20  Unique    4.61, 6.35 A)
 &rst
  ixpk= 2291, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   44 ARG  HB-          41 VAL  MGX         3.50    (#   2292:20  Unique    2.43, 5.04 A)
 &rst
  ixpk= 2292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 703, 704,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   31 GLN  HB-          31 GLN  HA          2.80    (#   2294:20  Unique    2.36, 2.72 A)
 &rst
  ixpk= 2294, nxpk= 20, iat=  -1, 483, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 485, 486,
 &end
#
#    0 AMB  20-2:2295    41 VAL  MGX         4.50    (#   2295:20  Single Ambig)
 &rst
  ixpk= 2295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 678, 679, 640, 641,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#    0 AMB  20-2:2296    62 LYS  HA          4.50    (#   2296:20  Single Ambig)
 &rst
  ixpk= 2296, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 983, 984, 983, 984,
 &end
#
#    0 AMB  20-2:2299     0 AMB  20-1:2299   2.80    (#   2299:20  Double Ambig)
 &rst
  ixpk= 2299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1305,1306,1327,1328,1327,1328,1327,1328,1292,1293,
      1294,
 igr2=1308,1309,1308,1309,1330,1331,1330,1331,1330,1331,
      1330,1331,
 &end
#
#   42 PRO  HG-          42 PRO  HD-         3.50    (#   2301:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 2301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 672, 673,
 &end
#
#    0 AMB  20-2:2303     0 AMB  20-1:2303   2.80    (#   2303:20  Double Ambig)
 &rst
  ixpk= 2303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 281, 282, 281, 282, 281, 282,
 igr2= 278, 279, 278, 279, 278, 279,
 &end
#
#    5 GLN  HB-           6 PRO  HB-         4.50    (#   2305:20  Unique    3.69, 5.02 A)
 &rst
  ixpk= 2305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  64,  65,
 igr2=  84,  85,
 &end
#
#   42 PRO  HG-          42 PRO  HB-         3.50    (#   2308:20  Unique    2.38, 2.63 A)
 &rst
  ixpk= 2308, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 676,
 igr2= 678, 679,
 &end
#
#    0 AMB  20-2:2314     0 AMB  20-1:2314   3.50    (#   2314:20  Double Ambig)
 &rst
  ixpk= 2314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 351, 352, 368, 369, 336, 337,
 igr2= 354, 355, 371, 372,
 &end
#
#   33 PRO  HG+          33 PRO  HB+         3.50    (#   2317:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 2317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 522, 523,
 igr2= 525, 526,
 &end
#
#   23 MET  HB+          23 MET  HG-         3.50    (#   2318:20  Unique    2.30, 2.68 A)
 &rst
  ixpk= 2318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 351, 352,
 igr2= 354, 355,
 &end
#
#    0 AMB  20-2:2321     0 AMB  20-1:2321   2.80    (#   2321:20  Double Ambig)
 &rst
  ixpk= 2321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 368, 369, 351, 352,
 igr2= 371, 372, 371, 372,
 &end
#
#    0 AMB  20-2:2325    19 GLU  HB-         3.50    (#   2325:20  Single Ambig)
 &rst
  ixpk= 2325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 296, 297, 296, 297,
 igr2= 293, 294,
 &end
#
#   62 LYS  HE-          66 GLN  HG+         3.50    (#   2331:20  Unique    2.37, 4.43 A)
 &rst
  ixpk= 2331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 989, 990,
 igr2=1049,1050,
 &end
#
#    0 AMB  20-2:2335     0 AMB  20-1:2335   2.80    (#   2335:20  Double Ambig)
 &rst
  ixpk= 2335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 678, 679,  84,  85,
 igr2= 675, 676,  81,  82,
 &end
#
#    6 PRO  HB+           6 PRO  HG-         4.50    (#   2337:20  Unique    2.39, 2.64 A)
 &rst
  ixpk= 2337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  84,  85,
 igr2=  81,  82,
 &end
#
#   63 GLU  HG+          60 ALA  HA          4.50    (#   2339:20  Unique    2.21, 3.71 A)
 &rst
  ixpk= 2339, nxpk= 20, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1005,1006,
 &end
#
#    0 AMB  20-2:2341    29 PHE  HA          4.50    (#   2341:20  Single Ambig)
 &rst
  ixpk= 2341, nxpk= 20, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 488, 489, 488, 489,
 &end
#
#   33 PRO  HB+          33 PRO  HG+         3.50    (#   2345:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 2345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 525, 526,
 igr2= 522, 523,
 &end
#
#   33 PRO  HB+          33 PRO  HG-         3.50    (#   2346:20  Unique    2.35, 2.62 A)
 &rst
  ixpk= 2346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 525, 526,
 igr2= 522, 523,
 &end
#
#   18 GLU  HA           17 PRO  HA          5.50    (#   2356:20  Unique    4.31, 4.40 A)
 &rst
  ixpk= 2356, nxpk= 20, iat= 276, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 PRO  HD+           5 GLN  HB+         3.50    (#   2357:20  Unique    2.11, 3.56 A)
 &rst
  ixpk= 2357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  78,  79,
 igr2=  64,  65,
 &end
#
#   32 PHE  HB+          61 ALA  MB          5.50    (#   2358:20  Unique    3.43, 4.78 A)
 &rst
  ixpk= 2358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 502, 503,
 igr2= 970, 971, 972,
 &end
#
#   35 PHE  HN           30 ASN  HA          5.50    (#   2363:20  Unique    4.54, 5.04 A)
 &rst
  ixpk= 2363, nxpk= 20, iat= 539, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2364     0 AMB  20-1:2364   4.50    (#   2364:20  Double Ambig)
 &rst
  ixpk= 2364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 114, 115, 114, 115,
 igr2=1330,1331,1330,1331,
 &end
#
#   57 GLN  HN           56 LEU  HG          5.50    (#   2365:20  Unique    4.27, 5.18 A)
 &rst
  ixpk= 2365, nxpk= 20, iat= 914, 902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HN           62 LYS  HA          4.50    (#   2366:20  Unique    3.38, 3.51 A)
 &rst
  ixpk= 2366, nxpk= 20, iat=1023, 978, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HN            0 AMB  20-1:2368   4.50    (#   2368:20  Single Ambig)
 &rst
  ixpk= 2368, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1000,1044,
 &end
#
#    0 AMB  20-2:2369    11 LEU  MDY         4.50    (#   2369:20  Single Ambig)
 &rst
  ixpk= 2369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 976, 942,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   58 SER  HN           58 SER  HB+         5.50    (#   2370:20  Unique    2.69, 3.16 A)
 &rst
  ixpk= 2370, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 935, 936,
 &end
#
#   58 SER  HN           58 SER  HB-         5.50    (#   2371:20  Unique    2.69, 3.16 A)
 &rst
  ixpk= 2371, nxpk= 20, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 935, 936,
 &end
#
#   30 ASN  HN           27 MET  HA          4.50    (#   2372:20  Unique    3.28, 3.52 A)
 &rst
  ixpk= 2372, nxpk= 20, iat= 467, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HN           69 LYS  HD+         5.50    (#   2373:20  Unique    5.47, 6.50 A)
 &rst
  ixpk= 2373, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#   17 PRO  HD-          17 PRO  HA          5.50    (#   2374:20  Unique    3.61, 3.86 A)
 &rst
  ixpk= 2374, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#    0 AMB  20-2:2375     0 AMB  20-1:2375   4.50    (#   2375:20  Double Ambig)
 &rst
  ixpk= 2375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 261, 262, 261, 262,
 igr2= 264, 265, 264, 265,
 &end
#
#   17 PRO  HD-           0 AMB  20-1:2376   4.50    (#   2376:20  Single Ambig)
 &rst
  ixpk= 2376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 261, 262,
 igr2= 264, 265, 264, 265,
 &end
#
#    6 PRO  HG-           5 GLN  HA          4.50    (#   2379:20  Unique    4.55, 4.68 A)
 &rst
  ixpk= 2379, nxpk= 20, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  81,  82,
 &end
#
#   51 GLU  HN           51 GLU  HA          5.50    (#   2380:20  Unique    2.97, 2.98 A)
 &rst
  ixpk= 2380, nxpk= 20, iat= 817, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2383     0 AMB  20-1:2383   4.50    (#   2383:20  Double Ambig)
 &rst
  ixpk= 2383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 217,1015,
 igr2= 229,1025,
 &end
#
#   11 LEU  HN           51 GLU  HA          5.50    (#   2384:20  Unique    3.50, 3.65 A)
 &rst
  ixpk= 2384, nxpk= 20, iat= 155, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2385    62 LYS  HA          4.50    (#   2385:20  Single Ambig)
 &rst
  ixpk= 2385, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1239,1245,1246,
 &end
#
#   18 GLU  HA           45 HIS  HB-         5.50    (#   2387:20  Unique    2.35, 3.09 A)
 &rst
  ixpk= 2387, nxpk= 20, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 727, 728,
 &end
#
#    0 AMB  20-2:2388    14 THR  HA          5.50    (#   2388:20  Single Ambig)
 &rst
  ixpk= 2388, nxpk= 20, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 241,1213,
 &end
#
#   14 THR  HN           14 THR  HA          5.50    (#   2389:20  Unique    2.94, 2.95 A)
 &rst
  ixpk= 2389, nxpk= 20, iat= 213, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 MET  HN           23 MET  HA          3.50    (#   2390:20  Unique    3.53, 3.54 A)
 &rst
  ixpk= 2390, nxpk= 20, iat= 364, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LEU  HN           23 MET  HA          5.50    (#   2391:20  Unique    4.39, 4.51 A)
 &rst
  ixpk= 2391, nxpk= 20, iat= 381, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 SER  HN           25 LEU  HA          4.50    (#   2392:20  Unique    3.57, 3.58 A)
 &rst
  ixpk= 2392, nxpk= 20, iat= 400, 383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HN           66 GLN  HA          4.50    (#   2393:20  Unique    3.44, 3.57 A)
 &rst
  ixpk= 2393, nxpk= 20, iat=1066,1044, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HE           26 SER  HA          7.00    (#   2394:20  Unique    5.67, 7.74 A)
 &rst
  ixpk= 2394, nxpk= 20, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 457, 461,
 &end
#
#   29 PHE  HN           27 MET  HA          5.50    (#   2395:20  Unique    4.72, 4.84 A)
 &rst
  ixpk= 2395, nxpk= 20, iat= 447, 413, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 THR  HN           71 THR  HA          4.50    (#   2398:20  Unique    2.90, 2.93 A)
 &rst
  ixpk= 2398, nxpk= 20, iat=1127,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2400    71 THR  HA          5.50    (#   2400:20  Single Ambig)
 &rst
  ixpk= 2400, nxpk= 20, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1145,1146,1145,1146,1148,1149,
 &end
#
#   69 LYS  HG+          71 THR  HA          4.50    (#   2401:20  Unique    5.85, 6.60 A)
 &rst
  ixpk= 2401, nxpk= 20, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1093,1094,
 &end
#
#   63 GLU  HB-          63 GLU  HA          2.80    (#   2402:20  Unique    2.23, 2.77 A)
 &rst
  ixpk= 2402, nxpk= 20, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1002,1003,
 &end
#
#   71 THR  HN           70 ILE  HA          4.50    (#   2403:20  Unique    3.51, 3.53 A)
 &rst
  ixpk= 2403, nxpk= 20, iat=1127,1110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 PHE  HE           70 ILE  HA          3.50    (#   2404:20  Unique    2.44, 4.38 A)
 &rst
  ixpk= 2404, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1076,1080,
 &end
#
#    0 AMB  20-2:2407    52 PHE  HA          4.50    (#   2407:20  Single Ambig)
 &rst
  ixpk= 2407, nxpk= 20, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 836, 837, 836, 837,
 &end
#
#   50 VAL  HN           49 PHE  HA          2.80    (#   2409:20  Unique    2.28, 2.33 A)
 &rst
  ixpk= 2409, nxpk= 20, iat= 801, 783, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 PHE  HA           49 PHE  HA          4.50    (#   2411:20  Unique    2.31, 2.42 A)
 &rst
  ixpk= 2411, nxpk= 20, iat= 176, 783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 PHE  HB+          49 PHE  HA          3.50    (#   2412:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 2412, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 785, 786,
 &end
#
#    0 AMB  20-2:2413    49 PHE  HA          4.50    (#   2413:20  Single Ambig)
 &rst
  ixpk= 2413, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 142, 143, 144, 602, 603, 604, 606, 607, 608,
 &end
#
#   13 LEU  MDY          49 PHE  HA          4.50    (#   2414:20  Unique    3.46, 5.35 A)
 &rst
  ixpk= 2414, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  MGX          49 PHE  HA          4.50    (#   2415:20  Unique    3.20, 5.47 A)
 &rst
  ixpk= 2415, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 807, 808, 809, 811, 812, 813,
 &end
#
#   56 LEU  HA           56 LEU  HG          4.50    (#   2416:20  Unique    2.45, 3.22 A)
 &rst
  ixpk= 2416, nxpk= 20, iat= 897, 902, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 LEU  MDY          25 LEU  HA          4.50    (#   2417:20  Unique    2.20, 3.68 A)
 &rst
  ixpk= 2417, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#   47 ILE  MG2          47 ILE  HA          3.50    (#   2418:20  Unique    2.38, 3.22 A)
 &rst
  ixpk= 2418, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 758, 759, 760,
 &end
#
#    0 AMB  20-2:2419    66 GLN  HA          4.50    (#   2419:20  Single Ambig)
 &rst
  ixpk= 2419, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1245,1246,1239,
 &end
#
#    0 AMB  20-2:2420    66 GLN  HA          5.50    (#   2420:20  Single Ambig)
 &rst
  ixpk= 2420, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1241,1242,1243, 203, 204, 205, 207, 208, 209,
 &end
#
#   74 HIS  HB+          74 HIS  HA          4.50    (#   2421:20  Unique    2.41, 2.75 A)
 &rst
  ixpk= 2421, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1173,1174,
 &end
#
#   15 ASN  HB+          76 MET  HA          4.50    (#   2422:20  Unique    3.63, 4.58 A)
 &rst
  ixpk= 2422, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 231, 232,
 &end
#
#   67 GLY  HA+          66 GLN  HA          4.50    (#   2423:20  Unique    4.38, 4.43 A)
 &rst
  ixpk= 2423, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1061,1062,
 &end
#
#   60 ALA  HA           63 GLU  HB-         5.50    (#   2424:20  Unique    2.52, 3.54 A)
 &rst
  ixpk= 2424, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1002,1003,
 &end
#
#   60 ALA  HA           63 GLU  HB+         5.50    (#   2425:20  Unique    2.52, 3.54 A)
 &rst
  ixpk= 2425, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1002,1003,
 &end
#
#    2 GLN  HB+           2 GLN  HA          2.80    (#   2426:20  Unique    2.41, 2.72 A)
 &rst
  ixpk= 2426, nxpk= 20, iat=  -1,  16, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  18,  19,
 &end
#
#    0 AMB  20-2:2427     0 AMB  20-1:2427   3.50    (#   2427:20  Double Ambig)
 &rst
  ixpk= 2427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1260,1261,1262,1220,1221,1220,1221,
 igr2=  21,  22,  21,  22,  21,  22,
 &end
#
#    4 GLU  HA            5 GLN  HG+         5.50    (#   2429:20  Unique    3.53, 4.86 A)
 &rst
  ixpk= 2429, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  67,  68,
 &end
#
#   82 LYS  HA            5 GLN  HG+         5.50    (#   2430:20  Unique    2.33, 3.69 A)
 &rst
  ixpk= 2430, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  67,  68,
 &end
#
#   82 LYS  HA            5 GLN  HG-         4.50    (#   2431:20  Unique    2.33, 3.69 A)
 &rst
  ixpk= 2431, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  67,  68,
 &end
#
#   24 MET  HG+          24 MET  HB-         4.50    (#   2432:20  Unique    2.33, 2.65 A)
 &rst
  ixpk= 2432, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 371, 372,
 igr2= 368, 369,
 &end
#
#   24 MET  HG-          24 MET  HB-         3.50    (#   2433:20  Unique    2.33, 2.65 A)
 &rst
  ixpk= 2433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 371, 372,
 igr2= 368, 369,
 &end
#
#   33 PRO  HB-          33 PRO  HA          3.50    (#   2434:20  Unique    2.27, 2.58 A)
 &rst
  ixpk= 2434, nxpk= 20, iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 525, 526,
 &end
#
#   33 PRO  HD+          33 PRO  HB-         4.50    (#   2435:20  Unique    2.79, 3.69 A)
 &rst
  ixpk= 2435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 519, 520,
 igr2= 525, 526,
 &end
#
#   37 GLU  HN           37 GLU  HB-         4.50    (#   2436:20  Unique    2.80, 3.17 A)
 &rst
  ixpk= 2436, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 585, 586,
 &end
#
#   37 GLU  HN           37 GLU  HB+         5.50    (#   2437:20  Unique    2.80, 3.17 A)
 &rst
  ixpk= 2437, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 585, 586,
 &end
#
#   59 ASN  HN            0 AMB  20-1:2438   3.50    (#   2438:20  Single Ambig)
 &rst
  ixpk= 2438, nxpk= 20, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 897, 882,
 &end
#
#    0 AMB  20-2:2440     0 AMB  20-1:2440   5.50    (#   2440:20  Double Ambig)
 &rst
  ixpk= 2440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 895, 951, 952, 493, 494,
 igr2= 916, 413,
 &end
#
#   64 ALA  HN           60 ALA  HA          4.50    (#   2442:20  Unique    3.96, 4.09 A)
 &rst
  ixpk= 2442, nxpk= 20, iat=1013, 958, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HN            0 AMB  20-1:2443   3.50    (#   2443:20  Single Ambig)
 &rst
  ixpk= 2443, nxpk= 20, iat= 895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 897, 882,
 &end
#
#   32 PHE  HA           33 PRO  HG+         5.50    (#   2444:20  Unique    4.24, 4.49 A)
 &rst
  ixpk= 2444, nxpk= 20, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 522, 523,
 &end
#
#   39 ARG  HA           40 LEU  HG          7.00    (#   2446:20  Unique    3.92, 4.38 A)
 &rst
  ixpk= 2446, nxpk= 20, iat= 614, 643, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    5 GLN  HG+          82 LYS  HA          4.50    (#   2447:20  Unique    2.33, 3.69 A)
 &rst
  ixpk= 2447, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  67,  68,
 &end
#
#   80 PHE  HA           80 PHE  HB-         4.50    (#   2448:20  Unique    2.50, 2.79 A)
 &rst
  ixpk= 2448, nxpk= 20, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1272,1273,
 &end
#
#    9 GLN  HN            8 ASN  HB+         5.50    (#   2450:20  Unique    2.70, 3.77 A)
 &rst
  ixpk= 2450, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 109, 110,
 &end
#
#   31 GLN  HE2-         28 LEU  HA          4.50    (#   2451:20  Unique    2.72, 3.39 A)
 &rst
  ixpk= 2451, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 493, 494,
 &end
#
#    0 AMB  20-2:2452    82 LYS  HA          2.80    (#   2452:20  Single Ambig)
 &rst
  ixpk= 2452, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1302,1303,1302,1303,
 &end
#
#   32 PHE  HN           30 ASN  HA          4.50    (#   2453:20  Unique    3.24, 3.36 A)
 &rst
  ixpk= 2453, nxpk= 20, iat= 498, 469, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2454    30 ASN  HA          5.50    (#   2454:20  Single Ambig)
 &rst
  ixpk= 2454, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 476, 477, 549, 553,
 &end
#
#    0 AMB  20-2:2455     0 AMB  20-1:2455   5.50    (#   2455:20  Double Ambig)
 &rst
  ixpk= 2455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 114, 115, 114, 115,
 igr2=1327,1328,1327,1328,
 &end
#
#    8 ASN  HD2+         82 LYS  HG+         5.50    (#   2456:20  Unique    5.38, 6.86 A)
 &rst
  ixpk= 2456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 114, 115,
 igr2=1305,1306,
 &end
#
#   44 ARG  HN            0 AMB  20-1:2457   5.50    (#   2457:20  Single Ambig)
 &rst
  ixpk= 2457, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 706, 707, 706, 707,
 &end
#
#    0 AMB  20-2:2458    63 GLU  HA          5.50    (#   2458:20  Single Ambig)
 &rst
  ixpk= 2458, nxpk= 20, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1017,1018,1019, 960, 961, 962,
 &end
#
#   70 ILE  MG2          70 ILE  HG1-        3.50    (#   2459:20  Unique    2.47, 3.48 A)
 &rst
  ixpk= 2459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1114,1115,1116,
 igr2=1118,1119,
 &end
#
#   66 GLN  HB+          66 GLN  HA          4.50    (#   2461:20  Unique    2.47, 2.84 A)
 &rst
  ixpk= 2461, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1046,1047,
 &end
#
#   66 GLN  HA           66 GLN  HG-         4.50    (#   2462:20  Unique    2.22, 3.18 A)
 &rst
  ixpk= 2462, nxpk= 20, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1049,1050,
 &end
#
#   66 GLN  HE2+         66 GLN  HG-         4.50    (#   2463:20  Unique    2.19, 3.20 A)
 &rst
  ixpk= 2463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2=1049,1050,
 &end
#
#   66 GLN  HE2+         66 GLN  HG+         5.50    (#   2464:20  Unique    2.19, 3.20 A)
 &rst
  ixpk= 2464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1054,1055,
 igr2=1049,1050,
 &end
#
#    5 GLN  HE2+          5 GLN  HG-         3.50    (#   2466:20  Unique    2.34, 3.38 A)
 &rst
  ixpk= 2466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  72,  73,
 igr2=  67,  68,
 &end
#
#    4 GLU  HA            5 GLN  HG-         5.50    (#   2467:20  Unique    3.53, 4.86 A)
 &rst
  ixpk= 2467, nxpk= 20, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  67,  68,
 &end
#
#   33 PRO  HB+          33 PRO  HD+         5.50    (#   2468:20  Unique    2.79, 3.69 A)
 &rst
  ixpk= 2468, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 525, 526,
 igr2= 519, 520,
 &end
#
#   33 PRO  HB+          33 PRO  HD-         5.50    (#   2469:20  Unique    2.79, 3.69 A)
 &rst
  ixpk= 2469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 525, 526,
 igr2= 519, 520,
 &end
#
#   24 MET  HB+          24 MET  HG+         3.50    (#   2471:20  Unique    2.33, 2.65 A)
 &rst
  ixpk= 2471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 368, 369,
 igr2= 371, 372,
 &end
#
#   12 PHE  HE           81 ALA  HA          7.00    (#   2472:20  Unique    6.73, 7.30 A)
 &rst
  ixpk= 2472, nxpk= 20, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 184, 188,
 &end
#
#    0 AMB  20-2:2473    48 ALA  HA          5.50    (#   2473:20  Single Ambig)
 &rst
  ixpk= 2473, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 703, 704, 616, 617,
 &end
#
#   77 LYS  HB-          16 LEU  HA          7.00    (#   2474:20  Unique    6.34, 7.22 A)
 &rst
  ixpk= 2474, nxpk= 20, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1217,1218,
 &end
#
#   35 PHE  HD           50 VAL  MGX         5.50    (#   2475:20  Unique    2.65, 6.23 A)
 &rst
  ixpk= 2475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 547, 555,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   11 LEU  HN           11 LEU  HA          5.50    (#   2476:20  Unique    2.98, 2.99 A)
 &rst
  ixpk= 2476, nxpk= 20, iat= 155, 157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HG           11 LEU  HA          4.50    (#   2477:20  Unique    2.63, 3.11 A)
 &rst
  ixpk= 2477, nxpk= 20, iat= 162, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 PHE  HN           12 PHE  HB+         4.50    (#   2479:20  Unique    2.40, 2.80 A)
 &rst
  ixpk= 2479, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#   51 GLU  HA           10 ILE  HA          3.50    (#   2480:20  Unique    2.25, 2.38 A)
 &rst
  ixpk= 2480, nxpk= 20, iat= 819, 138, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2482    49 PHE  HA          3.50    (#   2482:20  Single Ambig)
 &rst
  ixpk= 2482, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 781, 194,
 &end
#
#   52 PHE  HN           52 PHE  HA          4.50    (#   2483:20  Unique    2.97, 2.97 A)
 &rst
  ixpk= 2483, nxpk= 20, iat= 832, 834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2484     0 AMB  20-1:2484   5.50    (#   2484:20  Double Ambig)
 &rst
  ixpk= 2484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 801,1288,
 igr2= 159, 160, 159, 160,
 &end
#
#    0 AMB  20-2:2485    11 LEU  HB-         4.50    (#   2485:20  Single Ambig)
 &rst
  ixpk= 2485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 801,1288,
 igr2= 159, 160,
 &end
#
#   12 PHE  HN           11 LEU  HB+         5.50    (#   2486:20  Unique    2.39, 3.36 A)
 &rst
  ixpk= 2486, nxpk= 20, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 159, 160,
 &end
#
#   11 LEU  HN           11 LEU  HB+         5.50    (#   2487:20  Unique    2.35, 3.10 A)
 &rst
  ixpk= 2487, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 159, 160,
 &end
#
#   13 LEU  HN           12 PHE  HB-         4.50    (#   2488:20  Unique    4.08, 4.18 A)
 &rst
  ixpk= 2488, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 178, 179,
 &end
#
#   66 GLN  HE2+         62 LYS  HE+         5.50    (#   2489:20  Unique    2.22, 3.62 A)
 &rst
  ixpk= 2489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1054,1055,
 igr2= 989, 990,
 &end
#
#   14 THR  HN           13 LEU  HB+         5.50    (#   2490:20  Unique    2.97, 3.70 A)
 &rst
  ixpk= 2490, nxpk= 20, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   14 THR  HN           13 LEU  HB-         5.50    (#   2491:20  Unique    2.97, 3.70 A)
 &rst
  ixpk= 2491, nxpk= 20, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   13 LEU  HN           13 LEU  HB+         4.50    (#   2492:20  Unique    2.36, 2.91 A)
 &rst
  ixpk= 2492, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 198, 199,
 &end
#
#   13 LEU  HN           13 LEU  HB-         4.50    (#   2493:20  Unique    2.36, 2.91 A)
 &rst
  ixpk= 2493, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 198, 199,
 &end
#
#   48 ALA  HN           13 LEU  HB+         5.50    (#   2494:20  Unique    2.98, 3.35 A)
 &rst
  ixpk= 2494, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   48 ALA  HN           13 LEU  HB-         5.50    (#   2495:20  Unique    2.98, 3.35 A)
 &rst
  ixpk= 2495, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   14 THR  HN           14 THR  HB          5.50    (#   2496:20  Unique    3.69, 3.79 A)
 &rst
  ixpk= 2496, nxpk= 20, iat= 213, 217, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 MET  HG+          76 MET  HA          3.50    (#   2497:20  Unique    2.50, 2.81 A)
 &rst
  ixpk= 2497, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1203,1204,
 &end
#
#    0 AMB  20-2:2498    36 LYS  HB-         4.50    (#   2498:20  Single Ambig)
 &rst
  ixpk= 2498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 572, 573, 572, 573,
 igr2= 563, 564,
 &end
#
#    0 AMB  20-2:2499     0 AMB  20-1:2499   3.50    (#   2499:20  Double Ambig)
 &rst
  ixpk= 2499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 483, 430,
 igr2= 488, 489, 488, 489, 488, 489,
 &end
#
#   39 ARG  HN           39 ARG  HB-         4.50    (#   2500:20  Unique    2.72, 3.21 A)
 &rst
  ixpk= 2500, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 616, 617,
 &end
#
#   49 PHE  HA           49 PHE  HB+         4.50    (#   2501:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 2501, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 785, 786,
 &end
#
#   49 PHE  HA           49 PHE  HB-         4.50    (#   2502:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 2502, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 785, 786,
 &end
#
#    0 AMB  20-2:2503    50 VAL  HB          4.50    (#   2503:20  Single Ambig)
 &rst
  ixpk= 2503, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 390, 391, 392, 394, 395, 396, 146, 147, 146, 147,
      
 &end
#
#   11 LEU  HB-          50 VAL  HB          5.50    (#   2504:20  Unique    2.15, 2.98 A)
 &rst
  ixpk= 2504, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 159, 160,
 &end
#
#   11 LEU  HB+          50 VAL  HB          5.50    (#   2505:20  Unique    2.15, 2.98 A)
 &rst
  ixpk= 2505, nxpk= 20, iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 159, 160,
 &end
#
#   50 VAL  HB           11 LEU  HB+         5.50    (#   2506:20  Unique    2.15, 2.98 A)
 &rst
  ixpk= 2506, nxpk= 20, iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 159, 160,
 &end
#
#   11 LEU  MDX          11 LEU  HB-         3.50    (#   2508:20  Unique    2.30, 3.33 A)
 &rst
  ixpk= 2508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 164, 165, 166, 168, 169, 170,
 igr2= 159, 160,
 &end
#
#   53 THR  HN            0 AMB  20-1:2510   5.50    (#   2510:20  Single Ambig)
 &rst
  ixpk= 2510, nxpk= 20, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 836, 837, 836, 837,
 &end
#
#   52 PHE  HN            0 AMB  20-1:2511   5.50    (#   2511:20  Single Ambig)
 &rst
  ixpk= 2511, nxpk= 20, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 836, 837, 836, 837,
 &end
#
#   54 THR  HN            0 AMB  20-1:2512   5.50    (#   2512:20  Single Ambig)
 &rst
  ixpk= 2512, nxpk= 20, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 836, 837, 836, 837,
 &end
#
#   65 LEU  MDX          28 LEU  HB-         5.50    (#   2516:20  Unique    2.59, 4.60 A)
 &rst
  ixpk= 2516, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2= 432, 433,
 &end
#
#   28 LEU  HB-          28 LEU  HG          3.50    (#   2517:20  Unique    2.51, 2.79 A)
 &rst
  ixpk= 2517, nxpk= 20, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 432, 433,
 &end
#
#    9 GLN  HN            9 GLN  HB+         5.50    (#   2518:20  Unique    2.48, 3.07 A)
 &rst
  ixpk= 2518, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 123, 124,
 &end
#
#    9 GLN  HN            9 GLN  HB-         4.50    (#   2519:20  Unique    2.48, 3.07 A)
 &rst
  ixpk= 2519, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 123, 124,
 &end
#
#    0 AMB  20-2:2520    53 THR  HA          5.50    (#   2520:20  Single Ambig)
 &rst
  ixpk= 2520, nxpk= 20, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 836, 837, 836, 837,
 &end
#
#   53 THR  HG1          53 THR  HA          4.50    (#   2521:20  Unique    2.91, 2.98 A)
 &rst
  ixpk= 2521, nxpk= 20, iat= 862, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2523     0 AMB  20-1:2523   4.50    (#   2523:20  Double Ambig)
 &rst
  ixpk= 2523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 935, 936, 935, 936, 121,
 igr2= 836, 837, 836, 837, 836, 837,
 &end
#
#   24 MET  HN           20 THR  MG2         4.50    (#   2524:20  Unique    4.62, 5.27 A)
 &rst
  ixpk= 2524, nxpk= 20, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 310, 311, 312,
 &end
#
#   74 HIS  HN           74 HIS  HB+         5.50    (#   2525:20  Unique    2.68, 3.25 A)
 &rst
  ixpk= 2525, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1173,1174,
 &end
#
#   74 HIS  HN           74 HIS  HB-         5.50    (#   2526:20  Unique    2.68, 3.25 A)
 &rst
  ixpk= 2526, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1173,1174,
 &end
#
#    0 AMB  20-2:2527    78 ILE  MD1         4.50    (#   2527:20  Single Ambig)
 &rst
  ixpk= 2527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1203,1204,1203,1204,
 igr2=1248,1249,1250,
 &end
#
#   44 ARG  HN           44 ARG  HB-         5.50    (#   2529:20  Unique    2.27, 3.10 A)
 &rst
  ixpk= 2529, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 703, 704,
 &end
#
#   44 ARG  HN           44 ARG  HB+         5.50    (#   2530:20  Unique    2.27, 3.10 A)
 &rst
  ixpk= 2530, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 703, 704,
 &end
#
#   41 VAL  MGY          44 ARG  HB+         4.50    (#   2531:20  Unique    2.43, 5.04 A)
 &rst
  ixpk= 2531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 661, 662, 663, 665, 666, 667,
 igr2= 703, 704,
 &end
#
#    0 AMB  20-2:2532     0 AMB  20-1:2532   4.50    (#   2532:20  Double Ambig)
 &rst
  ixpk= 2532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667, 563, 564,
 igr2= 703, 704, 821, 822, 821, 822, 585, 586,
 &end
#
#   47 ILE  MD1          44 ARG  HB-         5.50    (#   2533:20  Unique    2.31, 3.13 A)
 &rst
  ixpk= 2533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 765, 766, 767,
 igr2= 703, 704,
 &end
#
#   47 ILE  MD1          44 ARG  HB+         5.50    (#   2534:20  Unique    2.31, 3.13 A)
 &rst
  ixpk= 2534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 765, 766, 767,
 igr2= 703, 704,
 &end
#
#   62 LYS  HD+          62 LYS  HB-         4.50    (#   2535:20  Unique         2.30, 2.89 A)
 &rst
  ixpk= 2535, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 986, 987,
 igr2= 980, 981,
 &end
#
#   74 HIS  HA           75 ALA  MB          5.50    (#   2539:20  Unique    4.47, 5.03 A)
 &rst
  ixpk= 2539, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1190,1191,1192,
 &end
#
#    0 AMB  20-2:2540    22 GLU  HA          2.80    (#   2540:20  Single Ambig)
 &rst
  ixpk= 2540, nxpk= 20, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 336, 337, 600,
 &end
#
#   10 ILE  MG2          10 ILE  HA          4.50    (#   2541:20  Unique    2.46, 3.09 A)
 &rst
  ixpk= 2541, nxpk= 20, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 142, 143, 144,
 &end
#
#   18 GLU  HN           17 PRO  HB-         5.50    (#   2542:20  Unique    3.11, 3.55 A)
 &rst
  ixpk= 2542, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 267, 268,
 &end
#
#   40 LEU  MDY          40 LEU  HA          3.50    (#   2543:20  Unique    2.25, 3.80 A)
 &rst
  ixpk= 2543, nxpk= 20, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 646, 647, 649, 650, 651,
 &end
#
#    0 AMB  20-2:2544     0 AMB  20-1:2544   2.80    (#   2544:20  Double Ambig)
 &rst
  ixpk= 2544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 415, 416, 415, 416, 415, 416,
 igr2= 418, 419, 418, 419, 418, 419,
 &end
#
#    5 GLN  HE2-         82 LYS  HG+         5.50    (#   2546:20  Unique    2.54, 4.49 A)
 &rst
  ixpk= 2546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  72,  73,
 igr2=1305,1306,
 &end
#
#   66 GLN  HG+          62 LYS  HE+         5.50    (#   2547:20  Unique    2.37, 4.43 A)
 &rst
  ixpk= 2547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1049,1050,
 igr2= 989, 990,
 &end
#
#   66 GLN  HG+          62 LYS  HE-         5.50    (#   2548:20  Unique    2.37, 4.43 A)
 &rst
  ixpk= 2548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1049,1050,
 igr2= 989, 990,
 &end
#
#    0 AMB  20-2:2549     0 AMB  20-1:2549   5.50    (#   2549:20  Double Ambig)
 &rst
  ixpk= 2549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,
 igr2=1200,1201,1200,1201,
 &end
#
#    0 AMB  20-2:2550    76 MET  HB-         5.50    (#   2550:20  Single Ambig)
 &rst
  ixpk= 2550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 250, 251, 252, 254, 255, 256, 203, 204, 205, 207,
       208, 209,
 igr2=1200,1201,
 &end
#
#   70 ILE  MD1          76 MET  HB+         4.50    (#   2551:20  Unique    2.27, 4.01 A)
 &rst
  ixpk= 2551, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1121,1122,1123,
 igr2=1200,1201,
 &end
#
#   70 ILE  MD1          76 MET  HB-         4.50    (#   2552:20  Unique    2.27, 4.01 A)
 &rst
  ixpk= 2552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1121,1122,1123,
 igr2=1200,1201,
 &end
#
#    4 GLU  HB-           4 GLU  HG+         3.50    (#   2555:20  Unique    2.25, 2.74 A)
 &rst
  ixpk= 2555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  49,  50,
 igr2=  52,  53,
 &end
#
#    4 GLU  HB+           4 GLU  HG+         2.80    (#   2556:20  Unique    2.25, 2.74 A)
 &rst
  ixpk= 2556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  49,  50,
 igr2=  52,  53,
 &end
#
#    4 GLU  HB-           4 GLU  HG-         4.50    (#   2557:20  Unique    2.25, 2.74 A)
 &rst
  ixpk= 2557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  49,  50,
 igr2=  52,  53,
 &end
#
#    0 AMB  20-2:2558     0 AMB  20-1:2558   2.80    (#   2558:20  Double Ambig)
 &rst
  ixpk= 2558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  49,  50, 336, 337,
 igr2=  52,  53, 339, 340, 339, 340,
 &end
#
#   72 PRO  HD+          72 PRO  HA          4.50    (#   2559:20  Unique    3.43, 3.74 A)
 &rst
  ixpk= 2559, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1142,1143,
 &end
#
#   72 PRO  HD+          71 THR  HB          4.50    (#   2560:20  Unique    2.14, 2.97 A)
 &rst
  ixpk= 2560, nxpk= 20, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1142,1143,
 &end
#
#   69 LYS  HG+          71 THR  HB          5.50    (#   2561:20  Unique    7.28, 8.00 A)
 &rst
  ixpk= 2561, nxpk= 20, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1093,1094,
 &end
#
#   37 GLU  HN           37 GLU  HG+         5.50    (#   2563:20  Unique    3.56, 4.75 A)
 &rst
  ixpk= 2563, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 588, 589,
 &end
#
#   39 ARG  HA           39 ARG  HB+         4.50    (#   2564:20  Unique    2.42, 2.78 A)
 &rst
  ixpk= 2564, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 616, 617,
 &end
#
#   38 VAL  HN           37 GLU  HG+         4.50    (#   2565:20  Unique    1.76, 2.74 A)
 &rst
  ixpk= 2565, nxpk= 20, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 588, 589,
 &end
#
#    0 AMB  20-2:2566    78 ILE  MD1         3.50    (#   2566:20  Single Ambig)
 &rst
  ixpk= 2566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1027,1028,1027,1028,
 igr2=1248,1249,1250,
 &end
#
#   74 HIS  HB+          70 ILE  MG2         5.50    (#   2567:20  Unique    4.31, 5.62 A)
 &rst
  ixpk= 2567, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1173,1174,
 igr2=1114,1115,1116,
 &end
#
#   74 HIS  HB-          70 ILE  MG2         5.50    (#   2568:20  Unique    4.31, 5.62 A)
 &rst
  ixpk= 2568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1173,1174,
 igr2=1114,1115,1116,
 &end
#
#   24 MET  HG-          70 ILE  MG2         5.50    (#   2569:20  Unique    4.78, 6.41 A)
 &rst
  ixpk= 2569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 371, 372,
 igr2=1114,1115,1116,
 &end
#
#   28 LEU  MDX          70 ILE  MG2         5.50    (#   2570:20  Unique    3.11, 6.23 A)
 &rst
  ixpk= 2570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2=1114,1115,1116,
 &end
#
#   21 ASN  HN           70 ILE  MG2         5.50    (#   2572:20  Unique    5.53, 6.25 A)
 &rst
  ixpk= 2572, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1114,1115,1116,
 &end
#
#   76 MET  HN           70 ILE  MG2         5.50    (#   2573:20  Unique    6.43, 6.65 A)
 &rst
  ixpk= 2573, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1114,1115,1116,
 &end
#
#    3 THR  HB           82 LYS  HG-         4.50    (#   2574:20  Unique    2.83, 4.41 A)
 &rst
  ixpk= 2574, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1305,1306,
 &end
#
#   41 VAL  HN           40 LEU  HG          5.50    (#   2575:20  Unique    4.80, 4.98 A)
 &rst
  ixpk= 2575, nxpk= 20, iat= 655, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 THR  HN           70 ILE  HG1-        5.50    (#   2576:20  Unique    4.09, 4.59 A)
 &rst
  ixpk= 2576, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1118,1119,
 &end
#
#   43 ASN  HN           41 VAL  MGX         5.50    (#   2577:20  Unique    2.67, 5.67 A)
 &rst
  ixpk= 2577, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   53 THR  HN           54 THR  MG2         5.50    (#   2580:20  Unique    5.67, 6.51 A)
 &rst
  ixpk= 2580, nxpk= 20, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 872, 873, 874,
 &end
#
#   16 LEU  HN           20 THR  MG2         7.00    (#   2581:20  Unique    6.33, 7.39 A)
 &rst
  ixpk= 2581, nxpk= 20, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 310, 311, 312,
 &end
#
#    0 AMB  20-2:2582    51 GLU  HA          4.50    (#   2582:20  Single Ambig)
 &rst
  ixpk= 2582, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 821, 822, 821, 822,
 &end
#
#    0 AMB  20-2:2583    51 GLU  HA          4.50    (#   2583:20  Single Ambig)
 &rst
  ixpk= 2583, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 146, 147, 149, 150, 151,
 &end
#
#   51 GLU  HG+          51 GLU  HA          5.50    (#   2584:20  Unique    2.48, 2.86 A)
 &rst
  ixpk= 2584, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 824, 825,
 &end
#
#    0 AMB  20-2:2585    51 GLU  HA          5.50    (#   2585:20  Single Ambig)
 &rst
  ixpk= 2585, nxpk= 20, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 803, 598,
 &end
#
#   78 ILE  HN           66 GLN  HA          4.50    (#   2586:20  Unique    3.78, 3.88 A)
 &rst
  ixpk= 2586, nxpk= 20, iat=1235,1044, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 PHE  HA           50 VAL  MGY         5.50    (#   2589:20  Unique    5.18, 6.78 A)
 &rst
  ixpk= 2589, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   58 SER  HB+          50 VAL  MGY         7.00    (#   2590:20  Unique    5.22, 7.55 A)
 &rst
  ixpk= 2590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 935, 936,
 igr2= 807, 808, 809, 811, 812, 813,
 &end
#
#   55 GLU  HN           56 LEU  MDX         4.50    (#   2591:20  Unique    4.08, 5.96 A)
 &rst
  ixpk= 2591, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   31 GLN  HE2+         31 GLN  HB+         4.50    (#   2593:20  Unique    2.52, 3.61 A)
 &rst
  ixpk= 2593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 493, 494,
 igr2= 485, 486,
 &end
#
#   32 PHE  HN           31 GLN  HB+         5.50    (#   2594:20  Unique    3.38, 3.92 A)
 &rst
  ixpk= 2594, nxpk= 20, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 485, 486,
 &end
#
#   25 LEU  HN           25 LEU  MDY         4.50    (#   2595:20  Unique    3.03, 4.32 A)
 &rst
  ixpk= 2595, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 390, 391, 392, 394, 395, 396,
 &end
#
#   11 LEU  HN           11 LEU  HG          5.50    (#   2596:20  Unique    2.74, 3.46 A)
 &rst
  ixpk= 2596, nxpk= 20, iat= 155, 162, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 ILE  HN           75 ALA  HA          4.50    (#   2597:20  Unique    3.01, 3.09 A)
 &rst
  ixpk= 2597, nxpk= 20, iat=1108,1188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 ALA  HN           75 ALA  HA          4.50    (#   2598:20  Unique    2.90, 2.92 A)
 &rst
  ixpk= 2598, nxpk= 20, iat=1186,1188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 LEU  HG           16 LEU  HB+         5.50    (#   2599:20  Unique    2.44, 2.75 A)
 &rst
  ixpk= 2599, nxpk= 20, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 245, 246,
 &end
#
#   16 LEU  HG           16 LEU  HB-         5.50    (#   2600:20  Unique    2.44, 2.75 A)
 &rst
  ixpk= 2600, nxpk= 20, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 245, 246,
 &end
#
#   16 LEU  HA           16 LEU  HB-         5.50    (#   2601:20  Unique    2.36, 2.71 A)
 &rst
  ixpk= 2601, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 245, 246,
 &end
#
#   17 PRO  HD+          16 LEU  HB-         5.50    (#   2602:20  Unique    2.30, 3.68 A)
 &rst
  ixpk= 2602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 261, 262,
 igr2= 245, 246,
 &end
#
#   17 PRO  HD-          16 LEU  HB+         5.50    (#   2604:20  Unique    2.30, 3.68 A)
 &rst
  ixpk= 2604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 261, 262,
 igr2= 245, 246,
 &end
#
#   17 PRO  HD+          16 LEU  HB+         5.50    (#   2605:20  Unique    2.30, 3.68 A)
 &rst
  ixpk= 2605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 261, 262,
 igr2= 245, 246,
 &end
#
#   68 PHE  HD           70 ILE  HB          5.50    (#   2606:20  Unique    4.63, 6.71 A)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1074,1082,
 &end
#
#   17 PRO  HD-          70 ILE  HB          5.50    (#   2608:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 2608, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   17 PRO  HD-          16 LEU  MDX         5.50    (#   2609:20  Unique    3.67, 5.49 A)
 &rst
  ixpk= 2609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 261, 262,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#    0 AMB  20-2:2610    16 LEU  MDX         3.50    (#   2610:20  Single Ambig)
 &rst
  ixpk= 2610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1203,1204,1203,1204,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#   76 MET  ME           16 LEU  MDX         4.50    (#   2611:20  Unique    2.45, 5.45 A)
 &rst
  ixpk= 2611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1207,1208,1209,
 igr2= 250, 251, 252, 254, 255, 256,
 &end
#
#    0 AMB  20-2:2612    11 LEU  MDY         3.50    (#   2612:20  Single Ambig)
 &rst
  ixpk= 2612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 980, 981, 162,
 igr2= 164, 165, 166, 168, 169, 170,
 &end
#
#   71 THR  HN           70 ILE  MD1         4.50    (#   2613:20  Unique    4.56, 5.38 A)
 &rst
  ixpk= 2613, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1121,1122,1123,
 &end
#
#   66 GLN  HN           66 GLN  HB-         4.50    (#   2616:20  Unique    2.15, 2.84 A)
 &rst
  ixpk= 2616, nxpk= 20, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1046,1047,
 &end
#
#   66 GLN  HE2-         66 GLN  HB+         4.50    (#   2617:20  Unique    3.30, 4.50 A)
 &rst
  ixpk= 2617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1054,1055,
 igr2=1046,1047,
 &end
#
#   81 ALA  HN            8 ASN  HB-         4.50    (#   2618:20  Unique    3.20, 4.59 A)
 &rst
  ixpk= 2618, nxpk= 20, iat=1288,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 109, 110,
 &end
#
#   32 PHE  HE           64 ALA  HA          7.00    (#   2620:20  Unique    5.03, 6.23 A)
 &rst
  ixpk= 2620, nxpk= 20, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 508, 512,
 &end
#
#   63 GLU  HA           64 ALA  HA          5.50    (#   2621:20  Unique    4.76, 4.77 A)
 &rst
  ixpk= 2621, nxpk= 20, iat=1000,1015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 THR  HB           16 LEU  HG          7.00    (#   2623:20  Unique    5.51, 5.54 A)
 &rst
  ixpk= 2623, nxpk= 20, iat= 308, 248, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    9 GLN  HA           10 ILE  MD1         7.00    (#   2624:20  Unique    5.00, 7.16 A)
 &rst
  ixpk= 2624, nxpk= 20, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 149, 150, 151,
 &end
#
#   21 ASN  HD2-         24 MET  HG+         5.50    (#   2625:20  Unique    2.44, 5.65 A)
 &rst
  ixpk= 2625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 327, 328,
 igr2= 371, 372,
 &end
#
#   21 ASN  HD2-          0 AMB  20-1:2626   5.50    (#   2626:20  Single Ambig)
 &rst
  ixpk= 2626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 327, 328,
 igr2= 371, 372, 354, 355,
 &end
#
#   25 LEU  MDX          24 MET  HG+         5.50    (#   2627:20  Unique    5.41, 7.41 A)
 &rst
  ixpk= 2627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 371, 372,
 &end
#
#   25 LEU  MDX          24 MET  HG-         4.50    (#   2628:20  Unique    5.41, 7.41 A)
 &rst
  ixpk= 2628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2= 371, 372,
 &end
#
#   20 THR  MG2          24 MET  HG+         5.50    (#   2630:20  Unique    3.37, 5.11 A)
 &rst
  ixpk= 2630, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 310, 311, 312,
 igr2= 371, 372,
 &end
#
#   20 THR  MG2          24 MET  HG-         5.50    (#   2632:20  Unique    3.37, 5.11 A)
 &rst
  ixpk= 2632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 310, 311, 312,
 igr2= 371, 372,
 &end
#
#   28 LEU  MDY          24 MET  HG-         5.50    (#   2633:20  Unique    5.59, 7.81 A)
 &rst
  ixpk= 2633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 371, 372,
 &end
#
#   28 LEU  MDY          24 MET  HG+         5.50    (#   2634:20  Unique    5.59, 7.81 A)
 &rst
  ixpk= 2634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2= 371, 372,
 &end
#
#   78 ILE  HG1-         76 MET  HG+         4.50    (#   2635:20  Unique    2.31, 3.30 A)
 &rst
  ixpk= 2635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1245,1246,
 igr2=1203,1204,
 &end
#
#   78 ILE  HG1-         76 MET  HG-         4.50    (#   2636:20  Unique    2.31, 3.30 A)
 &rst
  ixpk= 2636, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1245,1246,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2637    76 MET  HG-         5.50    (#   2637:20  Single Ambig)
 &rst
  ixpk= 2637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1118,1119,1027,1028,1027,1028,1220,1221,
 igr2=1203,1204,
 &end
#
#   76 MET  HA           76 MET  HG-         4.50    (#   2638:20  Unique    2.50, 2.81 A)
 &rst
  ixpk= 2638, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1203,1204,
 &end
#
#   76 MET  HA           76 MET  HG+         4.50    (#   2639:20  Unique    2.50, 2.81 A)
 &rst
  ixpk= 2639, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2640     0 AMB  20-1:2640   5.50    (#   2640:20  Double Ambig)
 &rst
  ixpk= 2640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1215,1237,
 igr2=1203,1204,1203,1204,
 &end
#
#    0 AMB  20-2:2641    76 MET  HG-         4.50    (#   2641:20  Single Ambig)
 &rst
  ixpk= 2641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1215,1237,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2642     0 AMB  20-1:2642   5.50    (#   2642:20  Double Ambig)
 &rst
  ixpk= 2642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.00, r4=11.50,
 igr1=1118,1119,1027,1028,1027,1028,1220,1221,
 igr2=1203,1204,1203,1204,1203,1204,1203,1204,
 &end
#
#   76 MET  HG+          13 LEU  MDY         4.50    (#   2643:20  Unique    3.02, 4.89 A)
 &rst
  ixpk= 2643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1203,1204,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   65 LEU  MDY          78 ILE  MD1         4.50    (#   2644:20  Unique    4.00, 5.90 A)
 &rst
  ixpk= 2644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1248,1249,1250,
 &end
#
#    0 AMB  20-2:2645     0 AMB  20-1:2645   2.80    (#   2645:20  Double Ambig)
 &rst
  ixpk= 2645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1220,1221,1220,1221,1220,1221,1305,1306,1305,1306,
      1090,1091,
 igr2=1223,1224,1223,1224,1223,1224,1308,1309,1308,1309,
      1096,1097,
 &end
#
#    0 AMB  20-2:2646    49 PHE  HA          5.50    (#   2646:20  Single Ambig)
 &rst
  ixpk= 2646, nxpk= 20, iat=  -1, 783, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 791, 795, 459,
 &end
#
#   25 LEU  HB+          25 LEU  HG          3.50    (#   2647:20  Unique    2.34, 2.70 A)
 &rst
  ixpk= 2647, nxpk= 20, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 385, 386,
 &end
#
#   76 MET  ME           16 LEU  HG          7.00    (#   2648:20  Unique    5.41, 6.73 A)
 &rst
  ixpk= 2648, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1207,1208,1209,
 &end
#
#   11 LEU  HN           50 VAL  HB          4.50    (#   2650:20  Unique    3.14, 3.37 A)
 &rst
  ixpk= 2650, nxpk= 20, iat= 155, 805, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LEU  HB+          16 LEU  HG          4.50    (#   2651:20  Unique    3.41, 4.24 A)
 &rst
  ixpk= 2651, nxpk= 20, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 198, 199,
 &end
#
#   29 PHE  HE           29 PHE  HB+         5.50    (#   2652:20  Unique    4.65, 5.12 A)
 &rst
  ixpk= 2652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 457, 461,
 igr2= 451, 452,
 &end
#
#   29 PHE  HE           29 PHE  HB-         5.50    (#   2653:20  Unique    4.65, 5.12 A)
 &rst
  ixpk= 2653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 457, 461,
 igr2= 451, 452,
 &end
#
#    0 AMB  20-2:2654     0 AMB  20-1:2654   2.80    (#   2654:20  Double Ambig)
 &rst
  ixpk= 2654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 278, 279, 278, 279, 278, 279,
 igr2= 281, 282, 281, 282, 281, 282,
 &end
#
#   55 GLU  HA           55 GLU  HG+         3.50    (#   2655:20  Unique    2.59, 3.08 A)
 &rst
  ixpk= 2655, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 887, 888,
 &end
#
#    0 AMB  20-2:2656    17 PRO  HB-         3.50    (#   2656:20  Single Ambig)
 &rst
  ixpk= 2656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 264, 265, 264, 265,
 igr2= 267, 268,
 &end
#
#   68 PHE  HE           68 PHE  HA          5.50    (#   2657:20  Unique    4.95, 5.41 A)
 &rst
  ixpk= 2657, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1076,1080,
 &end
#
#   77 LYS  HE+           2 GLN  HG+         4.50    (#   2660:20  Unique    3.73, 5.43 A)
 &rst
  ixpk= 2660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1226,1227,
 igr2=  21,  22,
 &end
#
#   25 LEU  HN           25 LEU  HB+         4.50    (#   2661:20  Unique    2.44, 3.07 A)
 &rst
  ixpk= 2661, nxpk= 20, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 385, 386,
 &end
#
#    8 ASN  HA           55 GLU  HA          4.50    (#   2662:20  Unique    3.55, 3.71 A)
 &rst
  ixpk= 2662, nxpk= 20, iat= 107, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2663     0 AMB  20-1:2663   2.80    (#   2663:20  Double Ambig)
 &rst
  ixpk= 2663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  14,  45,
 igr2=  16,  47,
 &end
#
#   29 PHE  HA           29 PHE  HB+         4.50    (#   2664:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 2664, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 451, 452,
 &end
#
#   29 PHE  HA           29 PHE  HB-         5.50    (#   2665:20  Unique    2.48, 2.78 A)
 &rst
  ixpk= 2665, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 451, 452,
 &end
#
#   50 VAL  MGY          29 PHE  HB-         4.50    (#   2667:20  Unique    3.17, 4.92 A)
 &rst
  ixpk= 2667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 807, 808, 809, 811, 812, 813,
 igr2= 451, 452,
 &end
#
#   65 LEU  MDY          68 PHE  HB-         5.50    (#   2668:20  Unique    2.92, 4.77 A)
 &rst
  ixpk= 2668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1032,1033,1034,1036,1037,1038,
 igr2=1070,1071,
 &end
#
#    0 AMB  20-2:2669     0 AMB  20-1:2669   4.50    (#   2669:20  Double Ambig)
 &rst
  ixpk= 2669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 862, 834,
 igr2= 569, 570, 569, 570,
 &end
#
#   76 MET  HN            0 AMB  20-1:2671   5.50    (#   2671:20  Single Ambig)
 &rst
  ixpk= 2671, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1096,1097,1090,1091,
 &end
#
#   76 MET  HN           69 LYS  HB-         5.50    (#   2672:20  Unique    5.90, 6.13 A)
 &rst
  ixpk= 2672, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1090,1091,
 &end
#
#   69 LYS  HE-          69 LYS  HD-         2.80    (#   2674:20  Unique    2.40, 2.63 A)
 &rst
  ixpk= 2674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1099,1100,
 igr2=1096,1097,
 &end
#
#   70 ILE  HN           69 LYS  HG+         4.50    (#   2679:20  Unique    5.34, 5.60 A)
 &rst
  ixpk= 2679, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1093,1094,
 &end
#
#   70 ILE  HN           69 LYS  HG-         5.50    (#   2680:20  Unique    5.34, 5.60 A)
 &rst
  ixpk= 2680, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1093,1094,
 &end
#
#   66 GLN  HG+          13 LEU  HG          5.50    (#   2684:20  Unique    6.60, 7.99 A)
 &rst
  ixpk= 2684, nxpk= 20, iat=  -1, 201, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1049,1050,
 &end
#
#   72 PRO  HA           69 LYS  HD+         4.50    (#   2685:20  Unique    2.47, 3.64 A)
 &rst
  ixpk= 2685, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#   72 PRO  HA           69 LYS  HD-         4.50    (#   2686:20  Unique    2.47, 3.64 A)
 &rst
  ixpk= 2686, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1096,1097,
 &end
#
#   76 MET  HN           69 LYS  HD+         5.50    (#   2687:20  Unique    4.27, 4.96 A)
 &rst
  ixpk= 2687, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1096,1097,
 &end
#
#   71 THR  HN           69 LYS  HE-         5.50    (#   2688:20  Unique    6.32, 6.78 A)
 &rst
  ixpk= 2688, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   71 THR  HN           69 LYS  HE+         5.50    (#   2689:20  Unique    6.32, 6.78 A)
 &rst
  ixpk= 2689, nxpk= 20, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   69 LYS  HN           69 LYS  HE-         5.50    (#   2690:20  Unique    4.78, 5.46 A)
 &rst
  ixpk= 2690, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   69 LYS  HN           69 LYS  HE+         5.50    (#   2691:20  Unique    4.78, 5.46 A)
 &rst
  ixpk= 2691, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    8 ASN  HD2-          8 ASN  HB-         5.50    (#   2692:20  Unique    2.24, 3.20 A)
 &rst
  ixpk= 2692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 114, 115,
 igr2= 109, 110,
 &end
#
#    8 ASN  HN            8 ASN  HB-         5.50    (#   2694:20  Unique    2.72, 3.30 A)
 &rst
  ixpk= 2694, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 109, 110,
 &end
#
#   74 HIS  HA           69 LYS  HE-         4.50    (#   2695:20  Unique    4.74, 6.37 A)
 &rst
  ixpk= 2695, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1099,1100,
 &end
#
#   74 HIS  HA           69 LYS  HE+         5.50    (#   2696:20  Unique    4.74, 6.37 A)
 &rst
  ixpk= 2696, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#    3 THR  HB            0 AMB  20-1:2697   4.50    (#   2697:20  Single Ambig)
 &rst
  ixpk= 2697, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1311,1312,1311,1312,
 &end
#
#   55 GLU  HG+           8 ASN  HB-         5.50    (#   2702:20  Unique    4.06, 5.31 A)
 &rst
  ixpk= 2702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 887, 888,
 igr2= 109, 110,
 &end
#
#   70 ILE  HN           68 PHE  HA          7.00    (#   2704:20  Unique    5.19, 5.33 A)
 &rst
  ixpk= 2704, nxpk= 20, iat=1108,1068, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:2706    68 PHE  HA          4.50    (#   2706:20  Single Ambig)
 &rst
  ixpk= 2706, nxpk= 20, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1088,1188,
 &end
#
#   65 LEU  HA           68 PHE  HA          5.50    (#   2707:20  Unique    4.34, 4.42 A)
 &rst
  ixpk= 2707, nxpk= 20, iat=1025,1068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 PHE  HZ           68 PHE  HB-         7.00    (#   2708:20  Unique    6.73, 7.39 A)
 &rst
  ixpk= 2708, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1070,1071,
 &end
#
#   69 LYS  HN           68 PHE  HB-         5.50    (#   2709:20  Unique    4.33, 4.38 A)
 &rst
  ixpk= 2709, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1070,1071,
 &end
#
#   69 LYS  HN           69 LYS  HA          3.50    (#   2710:20  Unique    2.88, 2.89 A)
 &rst
  ixpk= 2710, nxpk= 20, iat=1086,1088, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2712    69 LYS  HA          4.50    (#   2712:20  Single Ambig)
 &rst
  ixpk= 2712, nxpk= 20, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1099,1100,1173,1174,
 &end
#
#   70 ILE  HN           69 LYS  HB-         4.50    (#   2713:20  Unique    3.91, 4.25 A)
 &rst
  ixpk= 2713, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1090,1091,
 &end
#
#   69 LYS  HE+          69 LYS  HG-         5.50    (#   2715:20  Unique    2.23, 3.25 A)
 &rst
  ixpk= 2715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1099,1100,
 igr2=1093,1094,
 &end
#
#    0 AMB  20-2:2716     0 AMB  20-1:2716   5.50    (#   2716:20  Double Ambig)
 &rst
  ixpk= 2716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1148,1149,1145,1146,1145,1146,
 igr2=1093,1094,1093,1094,1093,1094,
 &end
#
#   82 LYS  HG+           8 ASN  HB-         4.50    (#   2717:20  Unique    6.64, 7.75 A)
 &rst
  ixpk= 2717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1305,1306,
 igr2= 109, 110,
 &end
#
#    0 AMB  20-2:2718     0 AMB  20-1:2718   2.80    (#   2718:20  Double Ambig)
 &rst
  ixpk= 2718, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1305,1306,1305,1306,
 igr2=1311,1312,1311,1312,
 &end
#
#   75 ALA  HN           69 LYS  HE+         5.50    (#   2719:20  Unique    3.43, 4.86 A)
 &rst
  ixpk= 2719, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1099,1100,
 &end
#
#   28 LEU  MDY          70 ILE  HA          5.50    (#   2721:20  Unique    3.66, 5.22 A)
 &rst
  ixpk= 2721, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 437, 438, 439, 441, 442, 443,
 &end
#
#    0 AMB  20-2:2722    70 ILE  HA          4.50    (#   2722:20  Single Ambig)
 &rst
  ixpk= 2722, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1090,1091,1093,1094,
 &end
#
#    0 AMB  20-2:2723    70 ILE  HA          5.50    (#   2723:20  Single Ambig)
 &rst
  ixpk= 2723, nxpk= 20, iat=  -1,1110, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 310, 311, 312,1093,1094,
 &end
#
#   25 LEU  HA           70 ILE  HA          7.00    (#   2724:20  Unique    7.47, 7.85 A)
 &rst
  ixpk= 2724, nxpk= 20, iat= 383,1110, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   17 PRO  HD+          70 ILE  HB          5.50    (#   2726:20  Unique    2.39, 2.76 A)
 &rst
  ixpk= 2726, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   16 LEU  MDX          70 ILE  HB          4.50    (#   2727:20  Unique    5.23, 6.78 A)
 &rst
  ixpk= 2727, nxpk= 20, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#   28 LEU  MDY          70 ILE  HG1-        5.50    (#   2728:20  Unique    2.97, 5.32 A)
 &rst
  ixpk= 2728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2=1118,1119,
 &end
#
#   28 LEU  MDY          70 ILE  HG1+        5.50    (#   2729:20  Unique    2.97, 5.32 A)
 &rst
  ixpk= 2729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 437, 438, 439, 441, 442, 443,
 igr2=1118,1119,
 &end
#
#   25 LEU  MDX          70 ILE  HG1-        4.50    (#   2730:20  Unique    3.58, 6.39 A)
 &rst
  ixpk= 2730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2=1118,1119,
 &end
#
#   25 LEU  MDX          70 ILE  HG1+        4.50    (#   2731:20  Unique    3.58, 6.39 A)
 &rst
  ixpk= 2731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 391, 392, 394, 395, 396,
 igr2=1118,1119,
 &end
#
#   70 ILE  HN           70 ILE  HG1-        4.50    (#   2733:20  Unique    2.13, 2.92 A)
 &rst
  ixpk= 2733, nxpk= 20, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1118,1119,
 &end
#
#   76 MET  HN           70 ILE  HG1-        5.50    (#   2734:20  Unique    2.94, 3.82 A)
 &rst
  ixpk= 2734, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1118,1119,
 &end
#
#    0 AMB  20-2:2735     0 AMB  20-1:2735   5.50    (#   2735:20  Double Ambig)
 &rst
  ixpk= 2735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 467,1066,
 igr2= 432, 433,1121,1122,1123,
 &end
#
#   69 LYS  HB+          70 ILE  MG2         5.50    (#   2736:20  Unique    6.84, 7.73 A)
 &rst
  ixpk= 2736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1090,1091,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:2737    70 ILE  MG2         4.50    (#   2737:20  Single Ambig)
 &rst
  ixpk= 2737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 368, 369,1200,1201,
 igr2=1114,1115,1116,
 &end
#
#   17 PRO  HA           70 ILE  MG2         5.50    (#   2739:20  Unique    6.06, 6.75 A)
 &rst
  ixpk= 2739, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1114,1115,1116,
 &end
#
#    0 AMB  20-2:2740    70 ILE  MG2         5.50    (#   2740:20  Single Ambig)
 &rst
  ixpk= 2740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 308, 366,
 igr2=1114,1115,1116,
 &end
#
#    4 GLU  HN            3 THR  MG2         5.50    (#   2748:20  Unique    2.02, 4.20 A)
 &rst
  ixpk= 2748, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  37,  38,  39,
 &end
#
#    0 AMB  20-2:2750    71 THR  MG2         5.50    (#   2750:20  Single Ambig)
 &rst
  ixpk= 2750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 267, 268, 293, 294,
 igr2=1133,1134,1135,
 &end
#
#    0 AMB  20-2:2751     0 AMB  20-1:2751   4.50    (#   2751:20  Double Ambig)
 &rst
  ixpk= 2751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 904, 905, 906, 908, 909, 910,1121,1122,1123,
 igr2= 872, 873, 874,1133,1134,1135,
 &end
#
#   69 LYS  HE+          72 PRO  HA          5.50    (#   2752:20  Unique    2.72, 4.06 A)
 &rst
  ixpk= 2752, nxpk= 20, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1099,1100,
 &end
#
#   74 HIS  HN           72 PRO  HA          4.50    (#   2756:20  Unique    3.56, 4.03 A)
 &rst
  ixpk= 2756, nxpk= 20, iat=1169,1151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2757     0 AMB  20-1:2757   4.50    (#   2757:20  Double Ambig)
 &rst
  ixpk= 2757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 706, 707, 706, 707,
 igr2= 703, 704, 703, 704,
 &end
#
#   72 PRO  HD+          72 PRO  HB-         4.50    (#   2761:20  Unique    2.83, 3.68 A)
 &rst
  ixpk= 2761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1142,1143,
 igr2=1148,1149,
 &end
#
#    0 AMB  20-2:2762     0 AMB  20-1:2762   5.50    (#   2762:20  Double Ambig)
 &rst
  ixpk= 2762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1131, 638,1129,
 igr2=1148,1149, 703, 704,
 &end
#
#   57 GLN  HE2-         33 PRO  HB+         5.50    (#   2763:20  Unique    4.17, 6.06 A)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 926, 927,
 igr2= 525, 526,
 &end
#
#   44 ARG  HE           44 ARG  HB+         5.50    (#   2764:20  Unique    1.96, 2.87 A)
 &rst
  ixpk= 2764, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 703, 704,
 &end
#
#   46 ASP  HN           44 ARG  HB+         5.50    (#   2765:20  Unique    2.42, 3.60 A)
 &rst
  ixpk= 2765, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 703, 704,
 &end
#
#    0 AMB  20-2:2767     0 AMB  20-1:2767   4.50    (#   2767:20  Double Ambig)
 &rst
  ixpk= 2767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1161,1162,1163,1093,1094,
 igr2=1148,1149,1148,1149,
 &end
#
#    8 ASN  HN            7 PRO  HG+         5.50    (#   2769:20  Unique    4.78, 5.24 A)
 &rst
  ixpk= 2769, nxpk= 20, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  95,  96,
 &end
#
#    0 AMB  20-2:2771    72 PRO  HD-         3.50    (#   2771:20  Single Ambig)
 &rst
  ixpk= 2771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1145,1146,1145,1146,1148,1149,
 igr2=1142,1143,
 &end
#
#   72 PRO  HB+          72 PRO  HD+         5.50    (#   2772:20  Unique    2.83, 3.68 A)
 &rst
  ixpk= 2772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1148,1149,
 igr2=1142,1143,
 &end
#
#   72 PRO  HA           72 PRO  HD+         5.50    (#   2774:20  Unique    3.43, 3.74 A)
 &rst
  ixpk= 2774, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1142,1143,
 &end
#
#   72 PRO  HA           72 PRO  HD-         5.50    (#   2775:20  Unique    3.43, 3.74 A)
 &rst
  ixpk= 2775, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1142,1143,
 &end
#
#    0 AMB  20-2:2779    38 VAL  MGX         4.50    (#   2779:20  Single Ambig)
 &rst
  ixpk= 2779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 616, 617, 585, 586,
 igr2= 602, 603, 604, 606, 607, 608,
 &end
#
#   17 PRO  HD-          74 HIS  HA          5.50    (#   2784:20  Unique    4.32, 5.45 A)
 &rst
  ixpk= 2784, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   69 LYS  HD-          75 ALA  HA          4.50    (#   2788:20  Unique    2.29, 2.96 A)
 &rst
  ixpk= 2788, nxpk= 20, iat=  -1,1188, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1096,1097,
 &end
#
#    0 AMB  20-2:2793    75 ALA  MB          5.50    (#   2793:20  Single Ambig)
 &rst
  ixpk= 2793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1226,1227,1217,1218,
 igr2=1190,1191,1192,
 &end
#
#   16 LEU  MDX          76 MET  HA          4.50    (#   2795:20  Unique    2.61, 5.14 A)
 &rst
  ixpk= 2795, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 250, 251, 252, 254, 255, 256,
 &end
#
#   25 LEU  MDX          25 LEU  HA          4.50    (#   2796:20  Unique    2.20, 3.68 A)
 &rst
  ixpk= 2796, nxpk= 20, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 390, 391, 392, 394, 395, 396,
 &end
#
#    0 AMB  20-2:2797     0 AMB  20-1:2797   4.50    (#   2797:20  Double Ambig)
 &rst
  ixpk= 2797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 385, 386,1220,1221,
 igr2= 383,1198,
 &end
#
#   15 ASN  HD2-         76 MET  HA          5.50    (#   2798:20  Unique    4.19, 5.06 A)
 &rst
  ixpk= 2798, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 236, 237,
 &end
#
#    0 AMB  20-2:2799    76 MET  HA          5.50    (#   2799:20  Single Ambig)
 &rst
  ixpk= 2799, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 213,1059,
 &end
#
#   75 ALA  HA           76 MET  HB-         5.50    (#   2800:20  Unique    4.40, 4.52 A)
 &rst
  ixpk= 2800, nxpk= 20, iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1200,1201,
 &end
#
#   76 MET  ME           76 MET  HB-         4.50    (#   2802:20  Unique    2.22, 3.58 A)
 &rst
  ixpk= 2802, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1200,1201,
 &end
#
#    0 AMB  20-2:2803    76 MET  HB-         5.50    (#   2803:20  Single Ambig)
 &rst
  ixpk= 2803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1245,1246, 245, 246,1239,
 igr2=1200,1201,
 &end
#
#   70 ILE  HG1-         76 MET  HB-         5.50    (#   2804:20  Unique    2.24, 3.60 A)
 &rst
  ixpk= 2804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1118,1119,
 igr2=1200,1201,
 &end
#
#   76 MET  ME           76 MET  HG+         4.50    (#   2807:20  Unique    2.60, 3.74 A)
 &rst
  ixpk= 2807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1203,1204,
 &end
#
#   76 MET  ME           76 MET  HG-         4.50    (#   2808:20  Unique    2.60, 3.74 A)
 &rst
  ixpk= 2808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1207,1208,1209,
 igr2=1203,1204,
 &end
#
#    0 AMB  20-2:2810     0 AMB  20-1:2810   4.50    (#   2810:20  Double Ambig)
 &rst
  ixpk= 2810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1188,1088,
 igr2=1061,1062,1061,1062,
 &end
#
#   44 ARG  HN           41 VAL  HA          4.50    (#   2811:20  Unique    4.60, 4.95 A)
 &rst
  ixpk= 2811, nxpk= 20, iat= 699, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 GLU  HG-          79 THR  HA          4.50    (#   2812:20  Unique    2.63, 6.59 A)
 &rst
  ixpk= 2812, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  52,  53,
 &end
#
#    0 AMB  20-2:2813     0 AMB  20-1:2813   4.50    (#   2813:20  Double Ambig)
 &rst
  ixpk= 2813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 675, 676,  49,  50,
 igr2= 657,1256,
 &end
#
#   47 ILE  MD1          41 VAL  HB          3.50    (#   2815:20  Unique    2.23, 3.13 A)
 &rst
  ixpk= 2815, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 765, 766, 767,
 &end
#
#   48 ALA  HN            0 AMB  20-1:2816   5.50    (#   2816:20  Single Ambig)
 &rst
  ixpk= 2816, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   44 ARG  HN            0 AMB  20-1:2817   5.50    (#   2817:20  Single Ambig)
 &rst
  ixpk= 2817, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   12 PHE  HZ            0 AMB  20-1:2818   4.50    (#   2818:20  Single Ambig)
 &rst
  ixpk= 2818, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   48 ALA  HA            0 AMB  20-1:2820   3.50    (#   2820:20  Single Ambig)
 &rst
  ixpk= 2820, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#    0 AMB  20-2:2821     0 AMB  20-1:2821   5.50    (#   2821:20  Double Ambig)
 &rst
  ixpk= 2821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 785, 786, 785, 786,
 igr2= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   47 ILE  MG2          41 VAL  MGX         4.50    (#   2823:20  Unique    5.29, 7.38 A)
 &rst
  ixpk= 2823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 758, 759, 760,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   44 ARG  HB+          41 VAL  MGX         4.50    (#   2824:20  Unique    2.43, 5.04 A)
 &rst
  ixpk= 2824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 703, 704,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#    0 AMB  20-2:2827    41 VAL  MGX         5.50    (#   2827:20  Single Ambig)
 &rst
  ixpk= 2827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 689, 690, 689, 690,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   44 ARG  HD-          41 VAL  MGX         5.50    (#   2828:20  Unique    3.03, 6.65 A)
 &rst
  ixpk= 2828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 709, 710,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   44 ARG  HD+          41 VAL  MGX         5.50    (#   2829:20  Unique    3.03, 6.65 A)
 &rst
  ixpk= 2829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 709, 710,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   49 PHE  HE           41 VAL  MGX         4.50    (#   2830:20  Unique    2.47, 6.40 A)
 &rst
  ixpk= 2830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 791, 795,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#    0 AMB  20-2:2831    41 VAL  MGX         4.50    (#   2831:20  Single Ambig)
 &rst
  ixpk= 2831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 789, 797, 184, 188,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   41 VAL  HN           41 VAL  MGX         3.50    (#   2832:20  Unique    2.25, 4.03 A)
 &rst
  ixpk= 2832, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 661, 662, 663, 665, 666, 667,
 &end
#
#   42 PRO  HD-          42 PRO  HA          5.50    (#   2833:20  Unique    3.37, 3.79 A)
 &rst
  ixpk= 2833, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 672, 673,
 &end
#
#   43 ASN  HB+          42 PRO  HA          5.50    (#   2834:20  Unique    4.44, 5.21 A)
 &rst
  ixpk= 2834, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 689, 690,
 &end
#
#   40 LEU  HG           42 PRO  HA          5.50    (#   2835:20  Unique    6.33, 7.05 A)
 &rst
  ixpk= 2835, nxpk= 20, iat= 643, 681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2836    42 PRO  HA          5.50    (#   2836:20  Single Ambig)
 &rst
  ixpk= 2836, nxpk= 20, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 &end
#
#   41 VAL  HA           42 PRO  HB+         5.50    (#   2837:20  Unique    4.72, 5.27 A)
 &rst
  ixpk= 2837, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 678, 679,
 &end
#
#   41 VAL  HA            0 AMB  20-1:2838   5.50    (#   2838:20  Single Ambig)
 &rst
  ixpk= 2838, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 703, 704, 678, 679,
 &end
#
#   43 ASN  HD2-         42 PRO  HB+         5.50    (#   2839:20  Unique    3.85, 7.99 A)
 &rst
  ixpk= 2839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 694, 695,
 igr2= 678, 679,
 &end
#
#    0 AMB  20-2:2841     0 AMB  20-1:2841   4.50    (#   2841:20  Double Ambig)
 &rst
  ixpk= 2841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 675, 676, 675, 676,
 &end
#
#    0 AMB  20-2:2842    42 PRO  HG-         4.50    (#   2842:20  Single Ambig)
 &rst
  ixpk= 2842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 661, 662, 663, 665, 666, 667, 661, 662, 663, 665,
       666, 667,
 igr2= 675, 676,
 &end
#
#   42 PRO  HA           42 PRO  HD-         4.50    (#   2843:20  Unique    3.37, 3.79 A)
 &rst
  ixpk= 2843, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 672, 673,
 &end
#
#   42 PRO  HA           42 PRO  HD+         4.50    (#   2844:20  Unique    3.37, 3.79 A)
 &rst
  ixpk= 2844, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 672, 673,
 &end
#
#   45 HIS  HA           42 PRO  HD-         5.50    (#   2845:20  Unique    6.13, 7.83 A)
 &rst
  ixpk= 2845, nxpk= 20, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   45 HIS  HA           42 PRO  HD+         5.50    (#   2846:20  Unique    6.13, 7.83 A)
 &rst
  ixpk= 2846, nxpk= 20, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   43 ASN  HN           42 PRO  HD-         5.50    (#   2847:20  Unique    3.71, 4.68 A)
 &rst
  ixpk= 2847, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   43 ASN  HN           42 PRO  HD+         5.50    (#   2848:20  Unique    3.71, 4.68 A)
 &rst
  ixpk= 2848, nxpk= 20, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   41 VAL  HN           42 PRO  HD-         5.50    (#   2849:20  Unique    3.78, 4.78 A)
 &rst
  ixpk= 2849, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   41 VAL  HN           42 PRO  HD+         5.50    (#   2850:20  Unique    3.78, 4.78 A)
 &rst
  ixpk= 2850, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 672, 673,
 &end
#
#   45 HIS  HN           43 ASN  HA          5.50    (#   2851:20  Unique    4.06, 5.74 A)
 &rst
  ixpk= 2851, nxpk= 20, iat= 723, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ASN  HD2-         43 ASN  HA          5.50    (#   2852:20  Unique    2.48, 4.51 A)
 &rst
  ixpk= 2852, nxpk= 20, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 694, 695,
 &end
#
#   42 PRO  HA           43 ASN  HA          4.50    (#   2853:20  Unique    4.23, 4.37 A)
 &rst
  ixpk= 2853, nxpk= 20, iat= 681, 687, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HB+          43 ASN  HA          5.50    (#   2854:20  Unique    4.68, 5.46 A)
 &rst
  ixpk= 2854, nxpk= 20, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 678, 679,
 &end
#
#   42 PRO  HB-          43 ASN  HA          5.50    (#   2856:20  Unique    4.68, 5.46 A)
 &rst
  ixpk= 2856, nxpk= 20, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 678, 679,
 &end
#
#   43 ASN  HD2+         43 ASN  HB+         4.50    (#   2859:20  Unique    2.19, 3.32 A)
 &rst
  ixpk= 2859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 694, 695,
 igr2= 689, 690,
 &end
#
#   44 ARG  HE           44 ARG  HB-         4.50    (#   2860:20  Unique    1.96, 2.87 A)
 &rst
  ixpk= 2860, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 703, 704,
 &end
#
#   44 ARG  HE           44 ARG  HB+         4.50    (#   2861:20  Unique    1.96, 2.87 A)
 &rst
  ixpk= 2861, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 703, 704,
 &end
#
#   42 PRO  HA           42 PRO  HB-         3.50    (#   2862:20  Unique    2.31, 2.56 A)
 &rst
  ixpk= 2862, nxpk= 20, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 678, 679,
 &end
#
#    0 AMB  20-2:2863    44 ARG  HB-         4.50    (#   2863:20  Single Ambig)
 &rst
  ixpk= 2863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 706, 707, 706, 707,
 igr2= 703, 704,
 &end
#
#   44 ARG  HN           44 ARG  HD+         5.50    (#   2866:20  Unique    3.90, 5.13 A)
 &rst
  ixpk= 2866, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   44 ARG  HN           44 ARG  HD-         5.50    (#   2867:20  Unique    3.90, 5.13 A)
 &rst
  ixpk= 2867, nxpk= 20, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   47 ILE  HN           44 ARG  HD+         5.50    (#   2869:20  Unique    5.29, 6.22 A)
 &rst
  ixpk= 2869, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 709, 710,
 &end
#
#   19 GLU  HA           18 GLU  HA          5.50    (#   2873:20  Unique    4.70, 4.81 A)
 &rst
  ixpk= 2873, nxpk= 20, iat= 291, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 PRO  HA           18 GLU  HA          5.50    (#   2874:20  Unique    4.31, 4.40 A)
 &rst
  ixpk= 2874, nxpk= 20, iat= 270, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HN           46 ASP  HA          5.50    (#   2876:20  Unique    2.82, 2.89 A)
 &rst
  ixpk= 2876, nxpk= 20, iat= 740, 742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HB+          46 ASP  HA          3.50    (#   2879:20  Unique    2.31, 2.49 A)
 &rst
  ixpk= 2879, nxpk= 20, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 744, 745,
 &end
#
#   46 ASP  HB-          46 ASP  HA          4.50    (#   2880:20  Unique    2.31, 2.49 A)
 &rst
  ixpk= 2880, nxpk= 20, iat=  -1, 742, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 744, 745,
 &end
#
#   47 ILE  MG2          46 ASP  HB+         7.00    (#   2881:20  Unique    2.76, 5.16 A)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 758, 759, 760,
 igr2= 744, 745,
 &end
#
#   47 ILE  HN           46 ASP  HB-         5.50    (#   2882:20  Unique    2.70, 4.17 A)
 &rst
  ixpk= 2882, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 744, 745,
 &end
#
#   16 LEU  HN           46 ASP  HB-         5.50    (#   2883:20  Unique    3.19, 4.28 A)
 &rst
  ixpk= 2883, nxpk= 20, iat= 241,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 744, 745,
 &end
#
#   15 ASN  HN           46 ASP  HB-         5.50    (#   2884:20  Unique    3.87, 5.11 A)
 &rst
  ixpk= 2884, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 744, 745,
 &end
#
#   15 ASN  HN           46 ASP  HB+         5.50    (#   2885:20  Unique    3.87, 5.11 A)
 &rst
  ixpk= 2885, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 744, 745,
 &end
#
#   12 PHE  HZ           47 ILE  HA          5.50    (#   2886:20  Unique    5.09, 5.21 A)
 &rst
  ixpk= 2886, nxpk= 20, iat= 186, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 HIS  HA           47 ILE  HA          7.00    (#   2887:20  Unique    5.32, 5.76 A)
 &rst
  ixpk= 2887, nxpk= 20, iat= 725, 754, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:2888    47 ILE  HA          4.50    (#   2888:20  Single Ambig)
 &rst
  ixpk= 2888, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 773, 229, 243,
 &end
#
#   49 PHE  HE           47 ILE  HB          5.50    (#   2889:20  Unique    5.10, 6.48 A)
 &rst
  ixpk= 2889, nxpk= 20, iat=  -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 791, 795,
 &end
#
#    0 AMB  20-2:2890     0 AMB  20-1:2890   4.50    (#   2890:20  Double Ambig)
 &rst
  ixpk= 2890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 880, 655,
 igr2= 899, 900, 756,
 &end
#
#    0 AMB  20-2:2891    47 ILE  HG1-        4.50    (#   2891:20  Single Ambig)
 &rst
  ixpk= 2891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 703, 704, 756,
 igr2= 762, 763,
 &end
#
#   44 ARG  HB+          47 ILE  HG1-        5.50    (#   2892:20  Unique    2.14, 4.44 A)
 &rst
  ixpk= 2892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 703, 704,
 igr2= 762, 763,
 &end
#
#   14 THR  MG2          47 ILE  MD1         4.50    (#   2894:20  Unique    4.68, 6.89 A)
 &rst
  ixpk= 2894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 219, 220, 221,
 igr2= 765, 766, 767,
 &end
#
#   25 LEU  HG            0 AMB  20-1:2895   4.50    (#   2895:20  Single Ambig)
 &rst
  ixpk= 2895, nxpk= 20, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1121,1122,1123, 432, 433,
 &end
#
#   48 ALA  HA           47 ILE  MD1         5.50    (#   2897:20  Unique    3.63, 5.29 A)
 &rst
  ixpk= 2897, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 765, 766, 767,
 &end
#
#    0 AMB  20-2:2898    47 ILE  MD1         7.00    (#   2898:20  Single Ambig)
 &rst
  ixpk= 2898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 781, 227,
 igr2= 765, 766, 767,
 &end
#
#   44 ARG  HE           47 ILE  MD1         4.50    (#   2899:20  Unique    2.50, 4.02 A)
 &rst
  ixpk= 2899, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 765, 766, 767,
 &end
#
#   41 VAL  HN           47 ILE  MD1         5.50    (#   2900:20  Unique    3.34, 4.90 A)
 &rst
  ixpk= 2900, nxpk= 20, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 765, 766, 767,
 &end
#
#   46 ASP  HB-          47 ILE  MG2         5.50    (#   2901:20  Unique    2.76, 5.16 A)
 &rst
  ixpk= 2901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 744, 745,
 igr2= 758, 759, 760,
 &end
#
#   46 ASP  HB+          47 ILE  MG2         4.50    (#   2902:20  Unique    2.76, 5.16 A)
 &rst
  ixpk= 2902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 744, 745,
 igr2= 758, 759, 760,
 &end
#
#    0 AMB  20-2:2903    47 ILE  MG2         4.50    (#   2903:20  Single Ambig)
 &rst
  ixpk= 2903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 229, 773, 243,
 igr2= 758, 759, 760,
 &end
#
#   46 ASP  HA           47 ILE  MG2         4.50    (#   2904:20  Unique    4.57, 5.43 A)
 &rst
  ixpk= 2904, nxpk= 20, iat= 742,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 758, 759, 760,
 &end
#
#   12 PHE  HD           47 ILE  MG2         5.50    (#   2905:20  Unique    6.12, 6.94 A)
 &rst
  ixpk= 2905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 182, 190,
 igr2= 758, 759, 760,
 &end
#
#   47 ILE  HN           47 ILE  MG2         3.50    (#   2906:20  Unique    2.94, 3.72 A)
 &rst
  ixpk= 2906, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 758, 759, 760,
 &end
#
#   46 ASP  HN           47 ILE  MG2         5.50    (#   2908:20  Unique    4.02, 5.23 A)
 &rst
  ixpk= 2908, nxpk= 20, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 758, 759, 760,
 &end
#
#   49 PHE  HE           48 ALA  HA          5.50    (#   2909:20  Unique    4.58, 6.28 A)
 &rst
  ixpk= 2909, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 791, 795,
 &end
#
#   49 PHE  HA           48 ALA  HA          4.50    (#   2910:20  Unique    4.59, 4.61 A)
 &rst
  ixpk= 2910, nxpk= 20, iat= 783, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 ILE  HA            0 AMB  20-1:2911   4.50    (#   2911:20  Single Ambig)
 &rst
  ixpk= 2911, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 773, 243,
 &end
#
#    0 AMB  20-2:2912     0 AMB  20-1:2912   5.50    (#   2912:20  Double Ambig)
 &rst
  ixpk= 2912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1173,1174, 785, 786,
 igr2= 243, 773,
 &end
#
#    0 AMB  20-2:2913    48 ALA  HA          5.50    (#   2913:20  Single Ambig)
 &rst
  ixpk= 2913, nxpk= 20, iat=  -1, 773, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 659, 600,
 &end
#
#   40 LEU  MDY          20 THR  MG2         2.80    (#   2915:20  Unique    2.99, 5.51 A)
 &rst
  ixpk= 2915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 645, 646, 647, 649, 650, 651,
 igr2= 310, 311, 312,
 &end
#
#    0 AMB  20-2:2916    20 THR  MG2         2.80    (#   2916:20  Single Ambig)
 &rst
  ixpk= 2916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 264, 265, 264, 265, 643,
 igr2= 310, 311, 312,
 &end
#
#   24 MET  HG-          20 THR  MG2         4.50    (#   2917:20  Unique    3.37, 5.11 A)
 &rst
  ixpk= 2917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 371, 372,
 igr2= 310, 311, 312,
 &end
#
#   16 LEU  HA           20 THR  MG2         4.50    (#   2918:20  Unique    4.81, 5.92 A)
 &rst
  ixpk= 2918, nxpk= 20, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 310, 311, 312,
 &end
#
#   19 GLU  HN           20 THR  MG2         5.50    (#   2919:20  Unique    6.87, 7.18 A)
 &rst
  ixpk= 2919, nxpk= 20, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 310, 311, 312,
 &end
#
#   22 GLU  HN           20 THR  MG2         5.50    (#   2920:20  Unique    4.89, 6.05 A)
 &rst
  ixpk= 2920, nxpk= 20, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 310, 311, 312,
 &end
#
#   77 LYS  HN           13 LEU  HA          5.50    (#   2921:20  Unique    4.52, 4.59 A)
 &rst
  ixpk= 2921, nxpk= 20, iat=1213, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HA           13 LEU  HA          5.50    (#   2922:20  Unique    5.23, 5.31 A)
 &rst
  ixpk= 2922, nxpk= 20, iat= 754, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 LYS  HB-          13 LEU  HA          4.50    (#   2923:20  Unique    4.95, 5.68 A)
 &rst
  ixpk= 2923, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1217,1218,
 &end
#
#   48 ALA  MB           13 LEU  HA          5.50    (#   2924:20  Unique    5.04, 6.27 A)
 &rst
  ixpk= 2924, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 775, 776, 777,
 &end
#
#    0 AMB  20-2:2926     0 AMB  20-1:2926   4.50    (#   2926:20  Double Ambig)
 &rst
  ixpk= 2926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 807, 808, 809, 811, 812, 813, 248,
 igr2= 198, 199, 159, 160,
 &end
#
#   48 ALA  MB           13 LEU  HB-         5.50    (#   2927:20  Unique    2.32, 3.75 A)
 &rst
  ixpk= 2927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 775, 776, 777,
 igr2= 198, 199,
 &end
#
#   69 LYS  HN           69 LYS  HD-         3.50    (#   2928:20  Unique    3.09, 3.88 A)
 &rst
  ixpk= 2928, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1096,1097,
 &end
#
#   49 PHE  HA           13 LEU  HG          7.00    (#   2930:20  Unique    5.95, 6.22 A)
 &rst
  ixpk= 2930, nxpk= 20, iat= 783, 201, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   11 LEU  HB+          13 LEU  MDX         4.50    (#   2932:20  Unique    2.61, 4.74 A)
 &rst
  ixpk= 2932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 159, 160,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2933    13 LEU  MDX         5.50    (#   2933:20  Single Ambig)
 &rst
  ixpk= 2933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1200,1201, 451, 452,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2934     0 AMB  20-1:2934   5.50    (#   2934:20  Double Ambig)
 &rst
  ixpk= 2934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 322, 323, 946, 947, 946, 947,
 igr2= 645, 646, 647, 649, 650, 651, 904, 905, 906, 908,
       909, 910,
 &end
#
#   62 LYS  HA           13 LEU  MDX         5.50    (#   2935:20  Unique    5.15, 6.96 A)
 &rst
  ixpk= 2935, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   66 GLN  HA           13 LEU  MDX         5.50    (#   2936:20  Unique    6.69, 7.99 A)
 &rst
  ixpk= 2936, nxpk= 20, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2937    13 LEU  MDX         4.50    (#   2937:20  Single Ambig)
 &rst
  ixpk= 2937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 383,1198,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   48 ALA  HA           13 LEU  MDX         5.50    (#   2938:20  Unique    5.86, 7.21 A)
 &rst
  ixpk= 2938, nxpk= 20, iat= 773,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  HA           13 LEU  MDX         4.50    (#   2939:20  Unique    5.14, 6.41 A)
 &rst
  ixpk= 2939, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   49 PHE  HA           13 LEU  MDX         5.50    (#   2940:20  Unique    3.46, 5.35 A)
 &rst
  ixpk= 2940, nxpk= 20, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   21 ASN  HN           40 LEU  MDX         4.50    (#   2941:20  Unique    3.62, 5.46 A)
 &rst
  ixpk= 2941, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 645, 646, 647, 649, 650, 651,
 &end
#
#   29 PHE  HD           13 LEU  MDX         5.50    (#   2943:20  Unique    4.37, 6.26 A)
 &rst
  ixpk= 2943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 455, 463,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   79 THR  HN           13 LEU  MDY         5.50    (#   2944:20  Unique    3.14, 5.77 A)
 &rst
  ixpk= 2944, nxpk= 20, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   29 PHE  HD           13 LEU  MDY         5.50    (#   2945:20  Unique    4.37, 6.26 A)
 &rst
  ixpk= 2945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 455, 463,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   29 PHE  HE           13 LEU  MDY         5.50    (#   2946:20  Unique    2.34, 4.59 A)
 &rst
  ixpk= 2946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 457, 461,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#   50 VAL  HA           13 LEU  MDY         5.50    (#   2949:20  Unique    5.14, 6.41 A)
 &rst
  ixpk= 2949, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2950    13 LEU  MDY         5.50    (#   2950:20  Single Ambig)
 &rst
  ixpk= 2950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1200,1201, 451, 452,
 igr2= 203, 204, 205, 207, 208, 209,
 &end
#
#    0 AMB  20-2:2951     0 AMB  20-1:2951   4.50    (#   2951:20  Double Ambig)
 &rst
  ixpk= 2951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 126, 127, 126, 127, 744, 745, 921, 922, 921, 922,
      
 igr2= 868, 215,
 &end
#
#   47 ILE  HA           14 THR  HB          5.50    (#   2953:20  Unique    4.54, 4.78 A)
 &rst
  ixpk= 2953, nxpk= 20, iat= 754, 217, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ASP  HA           14 THR  HB          7.00    (#   2954:20  Unique    6.69, 7.12 A)
 &rst
  ixpk= 2954, nxpk= 20, iat= 742, 217, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   15 ASN  HB-          14 THR  HB          5.50    (#   2956:20  Unique    3.54, 4.13 A)
 &rst
  ixpk= 2956, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 231, 232,
 &end
#
#    0 AMB  20-2:2957    14 THR  HB          5.50    (#   2957:20  Single Ambig)
 &rst
  ixpk= 2957, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1226,1227,1223,1224,1223,1224,
 &end
#
#    0 AMB  20-2:2958    14 THR  HB          4.50    (#   2958:20  Single Ambig)
 &rst
  ixpk= 2958, nxpk= 20, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1220,1221,1220,1221,
 &end
#
#    2 GLN  HB-          14 THR  MG2         4.50    (#   2959:20  Unique    2.66, 6.78 A)
 &rst
  ixpk= 2959, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  18,  19,
 igr2= 219, 220, 221,
 &end
#
#   15 ASN  HB+          14 THR  MG2         5.50    (#   2960:20  Unique    5.82, 6.52 A)
 &rst
  ixpk= 2960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 231, 232,
 igr2= 219, 220, 221,
 &end
#
#   15 ASN  HD2+         15 ASN  HA          4.50    (#   2964:20  Unique    4.27, 4.44 A)
 &rst
  ixpk= 2964, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 236, 237,
 &end
#
#    0 AMB  20-2:2965    15 ASN  HA          5.50    (#   2965:20  Single Ambig)
 &rst
  ixpk= 2965, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 744, 745,1173,1174,
 &end
#
#   14 THR  MG2          15 ASN  HA          5.50    (#   2966:20  Unique    5.96, 6.58 A)
 &rst
  ixpk= 2966, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 219, 220, 221,
 &end
#
#    0 AMB  20-2:2967     0 AMB  20-1:2967   5.50    (#   2967:20  Double Ambig)
 &rst
  ixpk= 2967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1220,1221,1220,1221,
 igr2= 231, 232, 231, 232,
 &end
#
#    0 AMB  20-2:2968    15 ASN  HB-         5.50    (#   2968:20  Single Ambig)
 &rst
  ixpk= 2968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1226,1227,1217,1218,
 igr2= 231, 232,
 &end
#
#   77 LYS  HE+          15 ASN  HB+         5.50    (#   2969:20  Unique    2.53, 4.40 A)
 &rst
  ixpk= 2969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1226,1227,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:2970     0 AMB  20-1:2970   5.50    (#   2970:20  Double Ambig)
 &rst
  ixpk= 2970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1226,1227,1217,1218,
 igr2= 231, 232, 231, 232,
 &end
#
#   77 LYS  HB+          15 ASN  HB-         5.50    (#   2971:20  Unique    2.53, 3.48 A)
 &rst
  ixpk= 2971, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1217,1218,
 igr2= 231, 232,
 &end
#
#   14 THR  HA           15 ASN  HB+         5.50    (#   2974:20  Unique    4.92, 5.05 A)
 &rst
  ixpk= 2974, nxpk= 20, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 231, 232,
 &end
#
#   14 THR  HA           15 ASN  HB-         5.50    (#   2975:20  Unique    4.92, 5.05 A)
 &rst
  ixpk= 2975, nxpk= 20, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 231, 232,
 &end
#
#   39 ARG  HN           48 ALA  HA          5.50    (#   2976:20  Unique    4.75, 5.01 A)
 &rst
  ixpk= 2976, nxpk= 20, iat= 612, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2977     0 AMB  20-1:2977   5.50    (#   2977:20  Double Ambig)
 &rst
  ixpk= 2977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 659,1207,1208,1209, 600,
 igr2= 773, 243,
 &end
#
#    0 AMB  20-2:2978     0 AMB  20-1:2978   4.50    (#   2978:20  Double Ambig)
 &rst
  ixpk= 2978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 198, 199, 198, 199, 201,
 igr2= 773, 243,
 &end
#
#   70 ILE  MD1          16 LEU  HA          3.50    (#   2979:20  Unique    2.24, 2.89 A)
 &rst
  ixpk= 2979, nxpk= 20, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1121,1122,1123,
 &end
#
#   16 LEU  HB+          16 LEU  HA          4.50    (#   2980:20  Unique    2.36, 2.71 A)
 &rst
  ixpk= 2980, nxpk= 20, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 245, 246,
 &end
#
#    0 AMB  20-2:2982    17 PRO  HA          5.50    (#   2982:20  Single Ambig)
 &rst
  ixpk= 2982, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1173,1174, 744, 745,
 &end
#
#    0 AMB  20-2:2983    17 PRO  HA          5.50    (#   2983:20  Single Ambig)
 &rst
  ixpk= 2983, nxpk= 20, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 243, 229,
 &end
#
#   46 ASP  HA           17 PRO  HA          5.50    (#   2984:20  Unique    4.34, 4.67 A)
 &rst
  ixpk= 2984, nxpk= 20, iat= 742, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 THR  HN           17 PRO  HA          5.50    (#   2987:20  Unique    6.61, 6.85 A)
 &rst
  ixpk= 2987, nxpk= 20, iat=1127, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 THR  HN           17 PRO  HA          5.50    (#   2988:20  Unique    6.61, 6.85 A)
 &rst
  ixpk= 2988, nxpk= 20, iat=1127, 270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 GLU  HN           17 PRO  HA          4.50    (#   2989:20  Unique    3.85, 3.96 A)
 &rst
  ixpk= 2989, nxpk= 20, iat= 289, 270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2993    17 PRO  HB-         4.50    (#   2993:20  Single Ambig)
 &rst
  ixpk= 2993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 278, 279, 278, 279, 245, 246,
 igr2= 267, 268,
 &end
#
#    0 AMB  20-2:2994     0 AMB  20-1:2994   3.50    (#   2994:20  Double Ambig)
 &rst
  ixpk= 2994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 278, 279, 278, 279, 245, 246,
 igr2= 267, 268, 267, 268, 267, 268,
 &end
#
#    0 AMB  20-2:2998     0 AMB  20-1:2998   5.50    (#   2998:20  Double Ambig)
 &rst
  ixpk= 2998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.04, r4=12.54,
 igr1= 281, 282, 281, 282, 281, 282, 368, 369,1207,1208,
      1209,
 igr2= 264, 265, 264, 265, 264, 265, 264, 265, 264, 265,
      
 &end
#
#   32 PHE  HE           62 LYS  HA          7.00    (#   3001:20  Unique    6.45, 7.22 A)
 &rst
  ixpk= 3001, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 508, 512,
 &end
#
#   59 ASN  HA           62 LYS  HA          5.50    (#   3002:20  Unique    5.18, 5.34 A)
 &rst
  ixpk= 3002, nxpk= 20, iat= 944, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 HIS  HB-           0 AMB  20-1:3005   4.50    (#   3005:20  Single Ambig)
 &rst
  ixpk= 3005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 727, 728,
 igr2= 278, 279, 278, 279,
 &end
#
#   32 PHE  HZ           31 GLN  HB+         5.50    (#   3007:20  Unique    3.44, 4.29 A)
 &rst
  ixpk= 3007, nxpk= 20, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 485, 486,
 &end
#
#   55 GLU  HN           55 GLU  HG+         4.50    (#   3008:20  Unique    1.90, 2.85 A)
 &rst
  ixpk= 3008, nxpk= 20, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 887, 888,
 &end
#
#   18 GLU  HN            0 AMB  20-1:3009   2.80    (#   3009:20  Single Ambig)
 &rst
  ixpk= 3009, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 281, 282, 281, 282,
 &end
#
#   17 PRO  HA            0 AMB  20-1:3010   4.50    (#   3010:20  Single Ambig)
 &rst
  ixpk= 3010, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 281, 282, 281, 282,
 &end
#
#    0 AMB  20-2:3011     0 AMB  20-1:3011   2.80    (#   3011:20  Double Ambig)
 &rst
  ixpk= 3011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 126, 127, 126, 127,
 igr2= 887, 888, 887, 888,
 &end
#
#   62 LYS  HD-          63 GLU  HG-         4.50    (#   3012:20  Unique    2.60, 5.46 A)
 &rst
  ixpk= 3012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 986, 987,
 igr2=1005,1006,
 &end
#
#   18 GLU  HA           19 GLU  HA          4.50    (#   3013:20  Unique    4.70, 4.81 A)
 &rst
  ixpk= 3013, nxpk= 20, iat= 276, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 THR  MG2          19 GLU  HB+         7.00    (#   3016:20  Unique    6.21, 7.49 A)
 &rst
  ixpk= 3016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 310, 311, 312,
 igr2= 293, 294,
 &end
#
#   43 ASN  HB+          42 PRO  HG-         5.50    (#   3018:20  Unique    3.90, 5.69 A)
 &rst
  ixpk= 3018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 689, 690,
 igr2= 675, 676,
 &end
#
#   42 PRO  HD-          42 PRO  HG-         4.50    (#   3020:20  Unique    2.32, 2.61 A)
 &rst
  ixpk= 3020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 672, 673,
 igr2= 675, 676,
 &end
#
#    6 PRO  HD+           7 PRO  HG+         7.00    (#   3021:20  Unique    7.24, 7.97 A)
 &rst
  ixpk= 3021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=  78,  79,
 igr2=  95,  96,
 &end
#
#   71 THR  HB           19 GLU  HB+         7.00    (#   3022:20  Unique    5.93, 7.28 A)
 &rst
  ixpk= 3022, nxpk= 20, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 293, 294,
 &end
#
#   34 GLY  HA-          33 PRO  HG-         4.50    (#   3023:20  Unique    4.29, 5.88 A)
 &rst
  ixpk= 3023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 534, 535,
 igr2= 522, 523,
 &end
#
#   20 THR  HN            0 AMB  20-1:3027   4.50    (#   3027:20  Single Ambig)
 &rst
  ixpk= 3027, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 296, 297, 296, 297,
 &end
#
#   17 PRO  HA            0 AMB  20-1:3029   4.50    (#   3029:20  Single Ambig)
 &rst
  ixpk= 3029, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 296, 297, 296, 297,
 &end
#
#    0 AMB  20-2:3031    20 THR  HA          5.50    (#   3031:20  Single Ambig)
 &rst
  ixpk= 3031, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 645, 646, 647, 649, 650, 651, 250, 251, 252, 254,
       255, 256,
 &end
#
#   24 MET  HB+          20 THR  HA          5.50    (#   3032:20  Unique    3.40, 3.99 A)
 &rst
  ixpk= 3032, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 368, 369,
 &end
#
#   24 MET  HG-          20 THR  HA          5.50    (#   3033:20  Unique    2.63, 3.87 A)
 &rst
  ixpk= 3033, nxpk= 20, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 371, 372,
 &end
#
#   21 ASN  HN           20 THR  HB          4.50    (#   3035:20  Unique    3.60, 3.61 A)
 &rst
  ixpk= 3035, nxpk= 20, iat= 318, 308, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3036    20 THR  HB          5.50    (#   3036:20  Single Ambig)
 &rst
  ixpk= 3036, nxpk= 20, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 645, 646, 647, 649, 650, 651, 390, 391, 392, 394,
       395, 396,
 &end
#
#   36 LYS  HN           30 ASN  HA          5.50    (#   3038:20  Unique         6.42, 7.04 A)
 &rst
  ixpk= 3038, nxpk= 20, iat= 559, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 PHE  HD           30 ASN  HA          5.50    (#   3039:20  Unique         5.12, 6.47 A)
 &rst
  ixpk= 3039, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 506, 514,
 &end
#
#   35 PHE  HZ           30 ASN  HA          5.50    (#   3040:20  Unique         5.28, 5.42 A)
 &rst
  ixpk= 3040, nxpk= 20, iat= 551, 469, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3043    30 ASN  HA          5.50    (#   3043:20  Single Ambig)
 &rst
  ixpk= 3043, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 488, 489, 488, 489,
 &end
#
#   28 LEU  HB+          30 ASN  HA          7.00    (#   3045:20  Unique         7.49, 7.70 A)
 &rst
  ixpk= 3045, nxpk= 20, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 432, 433,
 &end
#
#    0 AMB  20-2:3046     0 AMB  20-1:3046   5.50    (#   3046:20  Double Ambig)
 &rst
  ixpk= 3046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 488, 489, 488, 489,
 igr2= 471, 472, 471, 472,
 &end
#
#    0 AMB  20-2:3047    30 ASN  HB-         4.50    (#   3047:20  Single Ambig)
 &rst
  ixpk= 3047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 488, 489, 488, 489,
 igr2= 471, 472,
 &end
#
#   35 PHE  HB+          30 ASN  HB-         5.50    (#   3050:20  Unique         4.81, 6.48 A)
 &rst
  ixpk= 3050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 543, 544,
 igr2= 471, 472,
 &end
#
#   35 PHE  HB+          30 ASN  HB+         5.50    (#   3051:20  Unique         4.81, 6.48 A)
 &rst
  ixpk= 3051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 543, 544,
 igr2= 471, 472,
 &end
#
#   31 GLN  HN           30 ASN  HB-         5.50    (#   3054:20  Unique         3.12, 3.87 A)
 &rst
  ixpk= 3054, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 471, 472,
 &end
#
#    0 AMB  20-2:3056    28 LEU  HA          5.50    (#   3056:20  Single Ambig)
 &rst
  ixpk= 3056, nxpk= 20, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 418, 419, 418, 419,
 &end
#
#   28 LEU  HG           28 LEU  HA          3.50    (#   3057:20  Unique         2.88, 2.93 A)
 &rst
  ixpk= 3057, nxpk= 20, iat= 435, 430, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 LYS  HG-          35 PHE  HA          5.50    (#   3060:20  Unique         3.58, 4.78 A)
 &rst
  ixpk= 3060, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 566, 567,
 &end
#
#   57 GLN  HB-          35 PHE  HA          5.50    (#   3061:20  Unique         4.18, 5.34 A)
 &rst
  ixpk= 3061, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 918, 919,
 &end
#
#   36 LYS  HN            0 AMB  20-1:3066   5.50    (#   3066:20  Single Ambig)
 &rst
  ixpk= 3066, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 543, 544, 502, 503,
 &end
#
#   36 LYS  HN           35 PHE  HB-         5.50    (#   3067:20  Unique         3.88, 4.17 A)
 &rst
  ixpk= 3067, nxpk= 20, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 543, 544,
 &end
#
#   35 PHE  HE           35 PHE  HB+         4.50    (#   3068:20  Unique         4.60, 5.08 A)
 &rst
  ixpk= 3068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 549, 553,
 igr2= 543, 544,
 &end
#
#   31 GLN  HN            0 AMB  20-1:3069   5.50    (#   3069:20  Single Ambig)
 &rst
  ixpk= 3069, nxpk= 20, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 502, 503, 543, 544,
 &end
#
#    0 AMB  20-2:3070    35 PHE  HB-         5.50    (#   3070:20  Single Ambig)
 &rst
  ixpk= 3070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 581, 476, 477,
 igr2= 543, 544,
 &end
#
#   29 PHE  HA            0 AMB  20-1:3071   5.50    (#   3071:20  Single Ambig)
 &rst
  ixpk= 3071, nxpk= 20, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 543, 544, 502, 503,
 &end


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