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
15952 1z6h 6599 cing 1-original 2 AMBER distance NOE simple


# 35  BTL  HN3  35  BTL  H62  4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
# 35  BTL  HN3  35  BTL  H63  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 549, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  HN3  35  BTL  H5  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 551, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  HN3  35  BTL  H4  4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35  BTL  HN2  35  BTL  H72  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 542, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  HN2  35  BTL  H73  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 543, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  HN2  35  BTL  H4  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 559, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H5  35  BTL  H62  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 548, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H5  35  BTL  H63  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 549, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H5  35  BTL  H4  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 559, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H2  35  BTL  H82  3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35  BTL  H2  35  BTL  H83  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 540, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H2  35  BTL  H73  2.8   
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 543, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H4  35  BTL  H62  3.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 548, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35  BTL  H2  35  BTL  H62  3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 548, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35  BTL  H102  35  BTL  H83  4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 540, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35  BTL  H103  35  BTL  H83  4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 540, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35  BTL  H102  35  BTL  H92  2.8 
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 536, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H103  35  BTL  H92  3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 536, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35  BTL  H73  35  BTL  H82  4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35  BTL  H92  35  BTL  H82  5.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35  BTL  H4  35  BTL  H63  4.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 549, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35  BTL  H2  35  BTL  H63  4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 549, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35  BTL  H4  35  BTL  H5  2.8    
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 551, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H63  35  BTL  H5  2.8   
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 551, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H62  35  BTL  H2  3.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35  BTL  H62  35  BTL  H5  2.8   
 &rst
  ixpk= 0, nxpk= 0, iat= 548, 551, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H92  35  BTL  H102  3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 533, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35  BTL  H92  35  BTL  H103  3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35  BTL  H73  35  BTL  H2  2.8   
 &rst
  ixpk= 0, nxpk= 0, iat= 543, 545, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H83  35  BTL  H2  2.8  
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 545, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 35  BTL  H82  35  BTL  H2  4.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 545, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35  BTL  H83  35  BTL  H102  4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 35  BTL  H82  35  BTL  H73  3.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 35  BTL  H63  35  BTL  H2  4.5   
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 545, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:0       22 ILE  QD1         5.50    (#      0:25  Single Ambig)
 &rst
  ixpk= 0, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 311, 746,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:1       22 ILE  QD1         5.50    (#      1:25  Single Ambig)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 711, 729, 296,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:2       22 ILE  QD1         5.50    (#      2:25  Single Ambig)
 &rst
  ixpk= 2, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 665, 722, 723,
 igr2= 324, 325, 326,
 &end
#
#   26 GLN  HB3          22 ILE  QD1         5.50    (#      4:25  Preassigned    4.73, 5.86 A)
 &rst
  ixpk= 4, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 324, 325, 326,
 &end
#
#   22 ILE  HB           22 ILE  QD1         3.50    (#      5:25  Preassigned    2.43, 3.15 A)
 &rst
  ixpk= 5, nxpk= 25, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 324, 325, 326,
 &end
#
#   22 ILE  HG1+         22 ILE  QD1         2.80    (#      7:25  Preassigned    2.35, 2.65 A)
 &rst
  ixpk= 7, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 321, 322,
 igr2= 324, 325, 326,
 &end
#
#   42 ALA  HN           22 ILE  QD1         5.50    (#      8:25  Unique         4.59, 5.76 A)
 &rst
  ixpk= 8, nxpk= 25, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 324, 325, 326,
 &end
#
#    3 VAL  HB           22 ILE  QD1         7.00    (#      9:25  Preassigned    5.38, 5.90 A)
 &rst
  ixpk= 9, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:10      22 ILE  QD1         5.50    (#     10:25  Single Ambig)
 &rst
  ixpk= 10, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 330, 720, 709, 374,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:11      22 ILE  QD1         5.50    (#     11:25  Single Ambig)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 685, 386,
 igr2= 324, 325, 326,
 &end
#
#   26 GLN  HE22         22 ILE  QD1         5.50    (#     12:25  Preassigned    5.73, 6.63 A)
 &rst
  ixpk= 12, nxpk= 25, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 324, 325, 326,
 &end
#
#   22 ILE  HA           22 ILE  QD1         4.50    (#     13:25  Preassigned    4.73, 5.13 A)
 &rst
  ixpk= 13, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:14      22 ILE  QD1         5.50    (#     14:25  Single Ambig)
 &rst
  ixpk= 14, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 410, 231,
 igr2= 324, 325, 326,
 &end
#
#   42 ALA  QB           22 ILE  QD1         2.80    (#     15:25  Preassigned    2.29, 3.85 A)
 &rst
  ixpk= 15, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 667, 668, 669,
 igr2= 324, 325, 326,
 &end
#
#   68 LEU  HB2          22 ILE  QD1         5.50    (#     16:25  Preassigned    5.28, 6.38 A)
 &rst
  ixpk= 16, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 324, 325, 326,
 &end
#
#   44 ARG  HG-          22 ILE  QD1         5.50    (#     17:25  Preassigned    4.32, 6.42 A)
 &rst
  ixpk= 17, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 692, 693,
 igr2= 324, 325, 326,
 &end
#
#   22 ILE  HG1-         22 ILE  QD1         3.50    (#     18:25  Preassigned    2.35, 2.65 A)
 &rst
  ixpk= 18, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 321, 322,
 igr2= 324, 325, 326,
 &end
#
#   48 VAL  QG2          22 ILE  QD1         2.80    (#     19:25  Preassigned    2.36, 4.07 A)
 &rst
  ixpk= 19, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 756, 757, 758,
 igr2= 324, 325, 326,
 &end
#
#    0 AMB  25-3:20      30 ILE  QD1         5.50    (#     20:25  Single Ambig)
 &rst
  ixpk= 20, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 615, 616, 424,
 igr2= 445, 446, 447,
 &end
#
#   31 LEU  HN           30 ILE  QD1         5.50    (#     22:25  Preassigned    5.57, 6.08 A)
 &rst
  ixpk= 22, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#   30 ILE  HN           30 ILE  QD1         5.50    (#     23:25  Preassigned    4.80, 5.28 A)
 &rst
  ixpk= 23, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#   40 ILE  HN           30 ILE  QD1         5.50    (#     24:25  Unique         5.76, 6.06 A)
 &rst
  ixpk= 24, nxpk= 25, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#   13 LYS  HN           30 ILE  QD1         5.50    (#     25:25  Preassigned    4.42, 5.38 A)
 &rst
  ixpk= 25, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#    0 AMB  25-3:26      30 ILE  QD1         4.50    (#     26:25  Single Ambig)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 220, 161, 167,
 igr2= 445, 446, 447,
 &end
#
#   12 TRP  HZ3          30 ILE  QD1         4.50    (#     27:25  Preassigned    4.36, 5.59 A)
 &rst
  ixpk= 27, nxpk= 25, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 445, 446, 447,
 &end
#
#   39 PRO  HA           30 ILE  QD1         5.50    (#     29:25  Preassigned    4.24, 4.90 A)
 &rst
  ixpk= 29, nxpk= 25, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#    0 AMB  25-3:30      30 ILE  QD1         4.50    (#     30:25  Single Ambig)
 &rst
  ixpk= 30, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 434, 174,
 igr2= 445, 446, 447,
 &end
#
#   39 PRO  HB+          30 ILE  QD1         5.50    (#     31:25  Preassigned    4.28, 5.77 A)
 &rst
  ixpk= 31, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 621, 622,
 igr2= 445, 446, 447,
 &end
#
#   13 LYS  HE+          30 ILE  QD1         5.50    (#     32:25  Preassigned    2.08, 3.15 A)
 &rst
  ixpk= 32, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 185, 186,
 igr2= 445, 446, 447,
 &end
#
#   37 GLU  QB           30 ILE  QD1         5.50    (#     33:25  Preassigned    5.19, 7.38 A)
 &rst
  ixpk= 33, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 584, 585,
 igr2= 445, 446, 447,
 &end
#
#   30 ILE  HB           30 ILE  QD1         3.50    (#     34:25  Preassigned    2.48, 3.19 A)
 &rst
  ixpk= 34, nxpk= 25, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 445, 446, 447,
 &end
#
#   30 ILE  HG1+         30 ILE  QD1         2.80    (#     36:25  Preassigned    2.35, 2.66 A)
 &rst
  ixpk= 36, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 442, 443,
 igr2= 445, 446, 447,
 &end
#
#    0 AMB  25-3:37      30 ILE  QD1         4.50    (#     37:25  Single Ambig)
 &rst
  ixpk= 37, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 182, 183, 177,
 igr2= 445, 446, 447,
 &end
#
#   13 LYS  HG-          30 ILE  QD1         4.50    (#     39:25  Preassigned    3.66, 5.52 A)
 &rst
  ixpk= 39, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 179, 180,
 igr2= 445, 446, 447,
 &end
#
#   13 LYS  HG+          30 ILE  QD1         5.50    (#     40:25  Preassigned    3.66, 5.52 A)
 &rst
  ixpk= 40, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 179, 180,
 igr2= 445, 446, 447,
 &end
#
#   39 PRO  HB-          30 ILE  QD1         5.50    (#     41:25  Preassigned    4.28, 5.77 A)
 &rst
  ixpk= 41, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 621, 622,
 igr2= 445, 446, 447,
 &end
#
#   38 ILE  HN           38 ILE  QD1         5.50    (#     42:25  Preassigned    2.61, 5.05 A)
 &rst
  ixpk= 42, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 608, 609, 610,
 &end
#
#   33 SER  HN           38 ILE  QD1         5.50    (#     43:25  Preassigned    3.64, 5.75 A)
 &rst
  ixpk= 43, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 608, 609, 610,
 &end
#
#   36 MET  HN           38 ILE  QD1         5.50    (#     44:25  Unique         4.91, 6.69 A)
 &rst
  ixpk= 44, nxpk= 25, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 608, 609, 610,
 &end
#
#   32 GLU  HA           38 ILE  QD1         5.50    (#     45:25  Preassigned    4.10, 6.68 A)
 &rst
  ixpk= 45, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 608, 609, 610,
 &end
#
#   38 ILE  HA           38 ILE  QD1         4.50    (#     46:25  Preassigned    3.93, 4.84 A)
 &rst
  ixpk= 46, nxpk= 25, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 608, 609, 610,
 &end
#
#   38 GLU  HA           37 ILE  QD1         5.50    (#     47:25  Preassigned    2.78, 5.99 A)
 &rst
  ixpk= 47, nxpk= 25, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 608, 609, 610,
 &end
#
#   39 PRO  HD-          38 ILE  QD1         5.50    (#     48:25  Preassigned    5.69, 6.90 A)
 &rst
  ixpk= 48, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 615, 616,
 igr2= 608, 609, 610,
 &end
#
#   33 SER  HB2          38 ILE  QD1         5.50    (#     49:25  Preassigned    2.24, 3.43 A)
 &rst
  ixpk= 49, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 608, 609, 610,
 &end
#
#   33 SER  HB3          38 ILE  QD1         4.50    (#     50:25  Preassigned    2.92, 3.94 A)
 &rst
  ixpk= 50, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 608, 609, 610,
 &end
#
#   36 MET  HG-          38 ILE  QD1         5.50    (#     51:25  Preassigned    5.44, 7.08 A)
 &rst
  ixpk= 51, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 570, 571,
 igr2= 608, 609, 610,
 &end
#
#    7 MET  QG           38 ILE  QD1         5.50    (#     52:25  Preassigned    2.30, 3.41 A)
 &rst
  ixpk= 52, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  88,  89,
 igr2= 608, 609, 610,
 &end
#
#   36 MET  HB2          38 ILE  QD1         4.50    (#     53:25  Preassigned    2.96, 4.65 A)
 &rst
  ixpk= 53, nxpk= 25, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 608, 609, 610,
 &end
#
#    7 MET  QE           38 ILE  QD1         4.50    (#     54:25  Preassigned    2.69, 4.55 A)
 &rst
  ixpk= 54, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  92,  93,  94,
 igr2= 608, 609, 610,
 &end
#
#   38 ILE  HB           38 ILE  QD1         4.50    (#     55:25  Preassigned    2.43, 3.14 A)
 &rst
  ixpk= 55, nxpk= 25, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 608, 609, 610,
 &end
#
#   31 LEU  HB3          38 ILE  QD1         5.50    (#     56:25  Preassigned    2.99, 4.47 A)
 &rst
  ixpk= 56, nxpk= 25, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 608, 609, 610,
 &end
#
#   38 ILE  HG1+         38 ILE  QD1         3.50    (#     57:25  Preassigned    2.33, 2.64 A)
 &rst
  ixpk= 57, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 605, 606,
 igr2= 608, 609, 610,
 &end
#
#   40 ILE  HG1-         38 ILE  QD1         5.50    (#     58:25  Preassigned    6.23, 7.33 A)
 &rst
  ixpk= 58, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639,
 igr2= 608, 609, 610,
 &end
#
#   38 ILE  HG1-         38 ILE  QD1         3.50    (#     59:25  Preassigned    2.33, 2.64 A)
 &rst
  ixpk= 59, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 605, 606,
 igr2= 608, 609, 610,
 &end
#
#    0 AMB  25-3:60      38 ILE  QD1         4.50    (#     60:25  Single Ambig)
 &rst
  ixpk= 60, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2= 608, 609, 610,
 &end
#
#   39 PRO  HD+          38 ILE  QD1         5.50    (#     61:25  Preassigned    5.69, 6.90 A)
 &rst
  ixpk= 61, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 615, 616,
 igr2= 608, 609, 610,
 &end
#
#   40 PRO  HA           39 ILE  QD1         5.50    (#     62:25  Preassigned    4.49, 5.26 A)
 &rst
  ixpk= 62, nxpk= 25, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 641, 642, 643,
 &end
#
#    0 AMB  25-3:63       0 AMB  25-1:63     5.50    (#     63:25  Double Ambig)
 &rst
  ixpk= 63, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  64, 451,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#   30 ILE  HN           40 ILE  QD1         5.50    (#     64:25  Unique         3.08, 5.96 A)
 &rst
  ixpk= 64, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 641, 642, 643,
 &end
#
#    5 ILE  HN            5 ILE  QD1         4.50    (#     65:25  Unique         2.12, 4.24 A)
 &rst
  ixpk= 65, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  58,  59,  60,
 &end
#
#    0 AMB  25-3:66       0 AMB  25-1:66     5.50    (#     66:25  Double Ambig)
 &rst
  ixpk= 66, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 434, 937,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#   40 ILE  HA           40 ILE  QD1         4.50    (#     67:25  Preassigned    2.19, 3.62 A)
 &rst
  ixpk= 67, nxpk= 25, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 641, 642, 643,
 &end
#
#   31 LEU  HB3           0 AMB  25-1:68     4.50    (#     68:25  Single Ambig)
 &rst
  ixpk= 68, nxpk= 25, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#    0 AMB  25-3:69       0 AMB  25-1:69     3.50    (#     69:25  Double Ambig)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 632,1020,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#    5 ILE  HG1-          5 ILE  QD1         2.80    (#     70:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  55,  56,
 igr2=  58,  59,  60,
 &end
#
#    0 AMB  25-3:71       0 AMB  25-1:71     2.80    (#     71:25  Double Ambig)
 &rst
  ixpk= 71, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 638, 639, 638, 639, 455,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#    0 AMB  25-3:72       0 AMB  25-1:72     2.80    (#     72:25  Double Ambig)
 &rst
  ixpk= 72, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 638, 639,1019,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#    0 AMB  25-3:73       0 AMB  25-1:73     2.80    (#     73:25  Double Ambig)
 &rst
  ixpk= 73, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 138, 139, 140, 142, 143, 144, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466, 460, 461,
       462, 464, 465, 466,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#   65 LEU  HN            5 ILE  QD1         7.00    (#     75:25  Preassigned    3.72, 6.27 A)
 &rst
  ixpk= 75, nxpk= 25, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  58,  59,  60,
 &end
#
#    5 SER  HA            4 ILE  QD1         5.50    (#     76:25  Preassigned    3.08, 5.36 A)
 &rst
  ixpk= 76, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  58,  59,  60,
 &end
#
#   63 ASP  HN            5 ILE  QD1         7.00    (#     77:25  Preassigned    4.43, 6.75 A)
 &rst
  ixpk= 77, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  58,  59,  60,
 &end
#
#    5 ILE  HA            5 ILE  QD1         4.50    (#     78:25  Preassigned    2.12, 3.13 A)
 &rst
  ixpk= 78, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  58,  59,  60,
 &end
#
#   53 LYS  QE            5 ILE  QD1         5.50    (#     79:25  Preassigned    3.62, 6.97 A)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 850, 851,
 igr2=  58,  59,  60,
 &end
#
#   63 ASP  HB3           5 ILE  QD1         5.50    (#     80:25  Preassigned    2.57, 5.75 A)
 &rst
  ixpk= 80, nxpk= 25, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  58,  59,  60,
 &end
#
#    6 GLN  HG-          40 ILE  QD1         5.50    (#     81:25  Preassigned    2.53, 5.66 A)
 &rst
  ixpk= 81, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  71,  72,
 igr2= 641, 642, 643,
 &end
#
#   59 VAL  HB            5 ILE  QD1         4.50    (#     82:25  Preassigned    2.38, 4.22 A)
 &rst
  ixpk= 82, nxpk= 25, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  58,  59,  60,
 &end
#
#    6 GLN  HB3           0 AMB  25-1:83     5.50    (#     83:25  Single Ambig)
 &rst
  ixpk= 83, nxpk= 25, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#    5 ILE  HB            5 ILE  QD1         4.50    (#     84:25  Preassigned    2.32, 3.92 A)
 &rst
  ixpk= 84, nxpk= 25, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  58,  59,  60,
 &end
#
#    5 ILE  HG1+          5 ILE  QD1         2.80    (#     85:25  Preassigned    2.38, 2.66 A)
 &rst
  ixpk= 85, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=  55,  56,
 igr2=  58,  59,  60,
 &end
#
#    0 AMB  25-3:86       0 AMB  25-1:86     2.80    (#     86:25  Double Ambig)
 &rst
  ixpk= 86, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=  51,  52,  53, 601, 602, 603,
 igr2=  58,  59,  60, 641, 642, 643,
 &end
#
#   60 ASN  HN            5 ILE  QD1         5.50    (#     87:25  Preassigned    3.35, 6.08 A)
 &rst
  ixpk= 87, nxpk= 25, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  58,  59,  60,
 &end
#
#    7 MET  HN            0 AMB  25-1:88     5.50    (#     88:25  Single Ambig)
 &rst
  ixpk= 88, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#    0 AMB  25-3:89      45 SER  HB3         3.50    (#     89:25  Single Ambig)
 &rst
  ixpk= 89, nxpk= 25, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 720, 345, 709,
 &end
#
#   45 ARG  HA           44 SER  HB3         7.00    (#     91:25  Preassigned    5.67, 5.74 A)
 &rst
  ixpk= 91, nxpk= 25, iat= 687, 714, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:94      45 SER  HB3         5.50    (#     94:25  Single Ambig)
 &rst
  ixpk= 94, nxpk= 25, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 350, 315,
 &end
#
#    0 AMB  25-3:95      45 SER  HB2         3.50    (#     95:25  Single Ambig)
 &rst
  ixpk= 95, nxpk= 25, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 709, 720,
 &end
#
#   46 GLY  HA+          45 SER  HB2         5.50    (#     97:25  Preassigned    4.21, 4.69 A)
 &rst
  ixpk= 97, nxpk= 25, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 723,
 &end
#
#   45 ARG  HA           44 SER  HB2         5.50    (#    100:25  Preassigned    4.76, 4.84 A)
 &rst
  ixpk= 100, nxpk= 25, iat= 687, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 GLY  HN            4 SER  HB3         5.50    (#    103:25  Preassigned    4.00, 4.15 A)
 &rst
  ixpk= 103, nxpk= 25, iat= 980,  39, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 VAL  HA            0 AMB  25-1:105    5.50    (#    105:25  Single Ambig)
 &rst
  ixpk= 105, nxpk= 25, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  39,  38,
 &end
#
#    0 AMB  25-3:106      4 SER  HB3         5.50    (#    106:25  Single Ambig)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1,  39, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  49,1003,
 &end
#
#   65 LEU  HB2           0 AMB  25-1:107    5.50    (#    107:25  Single Ambig)
 &rst
  ixpk= 107, nxpk= 25, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  39,  38,
 &end
#
#    5 ILE  QG2           4 SER  HB3         5.50    (#    108:25  Unique         6.15, 6.70 A)
 &rst
  ixpk= 108, nxpk= 25, iat=  -1,  39, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#   64 VAL  QG1           0 AMB  25-1:109    5.50    (#    109:25  Single Ambig)
 &rst
  ixpk= 109, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1005,1006,1007,
 igr2=  39,  38,
 &end
#
#   65 LEU  HN            0 AMB  25-1:110    5.50    (#    110:25  Single Ambig)
 &rst
  ixpk= 110, nxpk= 25, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  39,  38,
 &end
#
#    4 SER  HA            0 AMB  25-1:111    3.50    (#    111:25  Single Ambig)
 &rst
  ixpk= 111, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  39,  38,
 &end
#
#    0 AMB  25-3:112      0 AMB  25-1:112    5.50    (#    112:25  Double Ambig)
 &rst
  ixpk= 112, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 982, 983, 982, 983,
 igr2=  39,  38,
 &end
#
#   61 GLU  HA            0 AMB  25-1:113    5.50    (#    113:25  Single Ambig)
 &rst
  ixpk= 113, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  39,  38,
 &end
#
#    4 SER  HN            0 AMB  25-1:114    5.50    (#    114:25  Single Ambig)
 &rst
  ixpk= 114, nxpk= 25, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  38,  39,
 &end
#
#    5 ILE  HN            0 AMB  25-1:117    4.50    (#    117:25  Single Ambig)
 &rst
  ixpk= 117, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  39,  38,
 &end
#
#    0 AMB  25-3:119      0 AMB  25-1:119    5.50    (#    119:25  Double Ambig)
 &rst
  ixpk= 119, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  20, 989,
 igr2=  38,  39,
 &end
#
#    0 AMB  25-3:120      0 AMB  25-1:120    5.50    (#    120:25  Double Ambig)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  24,  25,  26,1009,1010,1011,
 igr2=  38,  39,
 &end
#
#   64 VAL  QG1           0 AMB  25-1:121    5.50    (#    121:25  Single Ambig)
 &rst
  ixpk= 121, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1005,1006,1007,
 igr2=  39,  38,
 &end
#
#   62 GLY  HN            0 AMB  25-1:122    5.50    (#    122:25  Single Ambig)
 &rst
  ixpk= 122, nxpk= 25, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  39,  38,
 &end
#
#    4 SER  HN            4 SER  HB2         5.50    (#    123:25  Preassigned    2.69, 2.71 A)
 &rst
  ixpk= 123, nxpk= 25, iat=  34,  38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HA            0 AMB  25-1:124    5.50    (#    124:25  Single Ambig)
 &rst
  ixpk= 124, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  39,  38,
 &end
#
#   64 VAL  HA            0 AMB  25-1:125    5.50    (#    125:25  Single Ambig)
 &rst
  ixpk= 125, nxpk= 25, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  39,  38,
 &end
#
#    0 AMB  25-3:129      0 AMB  25-1:129    5.50    (#    129:25  Double Ambig)
 &rst
  ixpk= 129, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  49,1003,
 igr2=  39,  38,
 &end
#
#   65 LEU  HN            4 SER  HB2         5.50    (#    131:25  Preassigned    5.18, 5.33 A)
 &rst
  ixpk= 131, nxpk= 25, iat=1015,  38, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HN           48 VAL  HA          2.80    (#    132:25  Preassigned    2.13, 2.18 A)
 &rst
  ixpk= 132, nxpk= 25, iat= 762, 748, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 VAL  HN           48 VAL  HA          4.50    (#    133:25  Preassigned    2.85, 2.88 A)
 &rst
  ixpk= 133, nxpk= 25, iat= 746, 748, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  HA           48 VAL  HA          4.50    (#    134:25  Preassigned    2.36, 2.46 A)
 &rst
  ixpk= 134, nxpk= 25, iat=1070, 748, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:135     48 VAL  HA          5.50    (#    135:25  Single Ambig)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 766, 731, 772, 773,
 &end
#
#    0 AMB  25-3:136     48 VAL  HA          5.50    (#    136:25  Single Ambig)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1053, 727,
 &end
#
#   50 GLU  HN           48 VAL  HA          5.50    (#    137:25  Preassigned    3.70, 3.78 A)
 &rst
  ixpk= 137, nxpk= 25, iat= 784, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HA           48 VAL  HA          5.50    (#    138:25  Preassigned    4.46, 4.48 A)
 &rst
  ixpk= 138, nxpk= 25, iat= 764, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  HB           48 VAL  HA          5.50    (#    139:25  Preassigned    3.03, 3.04 A)
 &rst
  ixpk= 139, nxpk= 25, iat= 750, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:140     48 VAL  HA          5.50    (#    140:25  Single Ambig)
 &rst
  ixpk= 140, nxpk= 25, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1041, 767,
 &end
#
#   48 VAL  QG2          48 VAL  HA          3.50    (#    141:25  Preassigned    2.53, 3.15 A)
 &rst
  ixpk= 141, nxpk= 25, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 756, 757, 758,
 &end
#
#   48 VAL  QG1          48 VAL  HA          3.50    (#    142:25  Preassigned    2.43, 3.14 A)
 &rst
  ixpk= 142, nxpk= 25, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 752, 753, 754,
 &end
#
#   68 LEU  QD2          48 VAL  HA          3.50    (#    143:25  Preassigned    2.14, 2.70 A)
 &rst
  ixpk= 143, nxpk= 25, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1081,1082,1083,
 &end
#
#    0 AMB  25-3:147     47 ILE  QD1         5.50    (#    147:25  Single Ambig)
 &rst
  ixpk= 147, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 311, 746,
 igr2= 740, 741, 742,
 &end
#
#   21 GLN  HN           47 ILE  QD1         5.50    (#    148:25  Preassigned    4.20, 5.71 A)
 &rst
  ixpk= 148, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 &end
#
#   47 ILE  HN           47 ILE  QD1         5.50    (#    149:25  Preassigned    3.67, 4.90 A)
 &rst
  ixpk= 149, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 &end
#
#    0 AMB  25-3:150     47 ILE  QD1         3.50    (#    150:25  Single Ambig)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 729, 296,
 igr2= 740, 741, 742,
 &end
#
#   20 ASP  HA           47 ILE  QD1         5.50    (#    151:25  Preassigned    4.83, 6.29 A)
 &rst
  ixpk= 151, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 &end
#
#   69 SER  QB           47 ILE  QD1         7.00    (#    152:25  Preassigned    4.17, 6.50 A)
 &rst
  ixpk= 152, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1091,1092,
 igr2= 740, 741, 742,
 &end
#
#   21 GLN  HG-          47 ILE  QD1         5.50    (#    153:25  Preassigned    2.37, 5.49 A)
 &rst
  ixpk= 153, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 301, 302,
 igr2= 740, 741, 742,
 &end
#
#   21 GLN  HG+          47 ILE  QD1         5.50    (#    154:25  Preassigned    2.37, 5.49 A)
 &rst
  ixpk= 154, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 301, 302,
 igr2= 740, 741, 742,
 &end
#
#   21 GLN  QB           47 ILE  QD1         5.50    (#    155:25  Preassigned    2.50, 4.71 A)
 &rst
  ixpk= 155, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 298, 299,
 igr2= 740, 741, 742,
 &end
#
#   47 ILE  HB           47 ILE  QD1         4.50    (#    156:25  Preassigned    2.59, 3.63 A)
 &rst
  ixpk= 156, nxpk= 25, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 740, 741, 742,
 &end
#
#   47 ILE  HG1-         47 ILE  QD1         3.50    (#    157:25  Preassigned    2.37, 2.66 A)
 &rst
  ixpk= 157, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 737, 738,
 igr2= 740, 741, 742,
 &end
#
#   47 ILE  HG1+         47 ILE  QD1         2.80    (#    159:25  Preassigned    2.37, 2.66 A)
 &rst
  ixpk= 159, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 737, 738,
 igr2= 740, 741, 742,
 &end
#
#   47 ILE  QG2          47 ILE  QD1         2.80    (#    160:25  Preassigned    2.27, 3.68 A)
 &rst
  ixpk= 160, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 733, 734, 735,
 igr2= 740, 741, 742,
 &end
#
#   71 SER  HA            0 AMB  25-1:163    4.50    (#    163:25  Single Ambig)
 &rst
  ixpk= 163, nxpk= 25, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1116,1117,1116,1117,
 &end
#
#   69 SER  HN           69 SER  QB          4.50    (#    168:25  Preassigned    2.40, 3.05 A)
 &rst
  ixpk= 168, nxpk= 25, iat=1087,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1091,1092,
 &end
#
#   47 ILE  HN           69 SER  QB          5.50    (#    169:25  Preassigned    2.93, 4.36 A)
 &rst
  ixpk= 169, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#   69 SER  HA           69 SER  QB          3.50    (#    171:25  Preassigned    2.40, 2.74 A)
 &rst
  ixpk= 171, nxpk= 25, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1091,1092,
 &end
#
#   49 LYS  HA           69 SER  QB          5.50    (#    172:25  Preassigned    4.22, 5.39 A)
 &rst
  ixpk= 172, nxpk= 25, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#   46 GLY  HA+          69 SER  QB          7.00    (#    174:25  Preassigned    5.01, 6.42 A)
 &rst
  ixpk= 174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 722, 723,
 igr2=1091,1092,
 &end
#
#   48 VAL  HA           69 SER  QB          7.00    (#    175:25  Preassigned    5.58, 6.47 A)
 &rst
  ixpk= 175, nxpk= 25, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-3:176     69 SER  QB          3.50    (#    176:25  Single Ambig)
 &rst
  ixpk= 176, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 731, 766,
 igr2=1091,1092,
 &end
#
#   49 LYS  HB3          69 SER  QB          5.50    (#    177:25  Preassigned    5.27, 6.05 A)
 &rst
  ixpk= 177, nxpk= 25, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-3:178     69 SER  QB          5.50    (#    178:25  Single Ambig)
 &rst
  ixpk= 178, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 769, 770,1072,
 igr2=1091,1092,
 &end
#
#   47 ILE  QG2          69 SER  QB          5.50    (#    179:25  Preassigned    3.03, 5.17 A)
 &rst
  ixpk= 179, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 733, 734, 735,
 igr2=1091,1092,
 &end
#
#   49 LYS  HG-          69 SER  QB          7.00    (#    180:25  Preassigned    4.17, 6.17 A)
 &rst
  ixpk= 180, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 769, 770,
 igr2=1091,1092,
 &end
#
#   65 LEU  HN           64 VAL  HA          3.50    (#    182:25  Preassigned    2.24, 2.32 A)
 &rst
  ixpk= 182, nxpk= 25, iat=1015,1001, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 VAL  HN           64 VAL  HA          5.50    (#    183:25  Preassigned    2.90, 2.92 A)
 &rst
  ixpk= 183, nxpk= 25, iat= 999,1001, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HN           64 VAL  HA          5.50    (#    184:25  Preassigned    4.09, 4.20 A)
 &rst
  ixpk= 184, nxpk= 25, iat=1034,1001, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:185     64 VAL  HA          5.50    (#    185:25  Single Ambig)
 &rst
  ixpk= 185, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  39,  38,
 &end
#
#   64 VAL  HB           64 VAL  HA          4.50    (#    186:25  Preassigned    2.50, 2.51 A)
 &rst
  ixpk= 186, nxpk= 25, iat=1003,1001, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:187     64 VAL  HA          5.50    (#    187:25  Single Ambig)
 &rst
  ixpk= 187, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1019, 822, 823,
 &end
#
#   64 VAL  QG2          64 VAL  HA          3.50    (#    188:25  Preassigned    3.79, 3.97 A)
 &rst
  ixpk= 188, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1009,1010,1011,
 &end
#
#   64 VAL  QG1          64 VAL  HA          3.50    (#    190:25  Preassigned    2.34, 2.99 A)
 &rst
  ixpk= 190, nxpk= 25, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1005,1006,1007,
 &end
#
#    4 SER  HN           64 VAL  HA          5.50    (#    191:25  Preassigned    5.02, 5.13 A)
 &rst
  ixpk= 191, nxpk= 25, iat=  34,1001, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 GLU  HA           32 SER  HB2         5.50    (#    192:25  Preassigned    4.13, 4.16 A)
 &rst
  ixpk= 192, nxpk= 25, iat= 472, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HB2          33 SER  HB2         5.50    (#    193:25  Preassigned    2.38, 2.49 A)
 &rst
  ixpk= 193, nxpk= 25, iat= 567, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 MET  HN           33 SER  HB2         5.50    (#    194:25  Preassigned    4.54, 4.59 A)
 &rst
  ixpk= 194, nxpk= 25, iat= 496, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HN           33 SER  HB2         5.50    (#    195:25  Preassigned    2.47, 2.56 A)
 &rst
  ixpk= 195, nxpk= 25, iat= 485, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HA           33 SER  HB2         3.50    (#    196:25  Preassigned    3.00, 3.01 A)
 &rst
  ixpk= 196, nxpk= 25, iat= 487, 489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 GLY  HA-          33 SER  HB2         5.50    (#    197:25  Preassigned    4.61, 4.88 A)
 &rst
  ixpk= 197, nxpk= 25, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#   38 ILE  HG1+         33 SER  HB2         5.50    (#    200:25  Preassigned    2.48, 3.49 A)
 &rst
  ixpk= 200, nxpk= 25, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   38 ILE  QD1          33 SER  HB2         4.50    (#    201:25  Preassigned    2.24, 3.43 A)
 &rst
  ixpk= 201, nxpk= 25, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 608, 609, 610,
 &end
#
#    9 GLY  HA+          33 SER  HB2         5.50    (#    202:25  Preassigned    4.61, 4.88 A)
 &rst
  ixpk= 202, nxpk= 25, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#    7 MET  QE           33 SER  HB2         5.50    (#    203:25  Preassigned    3.24, 4.38 A)
 &rst
  ixpk= 203, nxpk= 25, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  92,  93,  94,
 &end
#
#   31 LEU  HB3          33 SER  HB2         5.50    (#    204:25  Preassigned    3.58, 3.68 A)
 &rst
  ixpk= 204, nxpk= 25, iat= 456, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HN           33 SER  HB3         4.50    (#    205:25  Preassigned    3.59, 3.66 A)
 &rst
  ixpk= 205, nxpk= 25, iat= 485, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:206     33 SER  HB3         7.00    (#    206:25  Single Ambig)
 &rst
  ixpk= 206, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 110, 111, 498,
 &end
#
#   35 BTL  HA           33 SER  HB3         7.00    (#    208:25  Preassigned    7.01, 7.03 A)
 &rst
  ixpk= 208, nxpk= 25, iat= 515, 490, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    7 MET  QE           33 SER  HB3         5.50    (#    210:25  Preassigned    2.13, 2.97 A)
 &rst
  ixpk= 210, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  92,  93,  94,
 &end
#
#   38 ILE  HG1+         33 SER  HB3         5.50    (#    211:25  Preassigned    3.95, 4.78 A)
 &rst
  ixpk= 211, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   38 ILE  QD1          33 SER  HB3         4.50    (#    212:25  Preassigned    2.92, 3.94 A)
 &rst
  ixpk= 212, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 608, 609, 610,
 &end
#
#   33 SER  HA           33 SER  HB3         4.50    (#    214:25  Preassigned    2.58, 2.64 A)
 &rst
  ixpk= 214, nxpk= 25, iat= 487, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HB2          33 SER  HB3         5.50    (#    216:25  Preassigned    2.98, 3.12 A)
 &rst
  ixpk= 216, nxpk= 25, iat= 567, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HG1-         33 SER  HB3         5.50    (#    217:25  Preassigned    3.95, 4.78 A)
 &rst
  ixpk= 217, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#    0 AMB  25-3:218     33 SER  HB3         5.50    (#    218:25  Single Ambig)
 &rst
  ixpk= 218, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   34 MET  HN           33 SER  HB3         5.50    (#    219:25  Preassigned    4.08, 4.25 A)
 &rst
  ixpk= 219, nxpk= 25, iat= 496, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HA           39 PRO  HA          3.50    (#    220:25  Preassigned    2.34, 2.35 A)
 &rst
  ixpk= 220, nxpk= 25, iat= 434, 624, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 PRO  HD-          39 PRO  HA          5.50    (#    222:25  Preassigned    3.59, 3.85 A)
 &rst
  ixpk= 222, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 615, 616,
 &end
#
#   27 GLU  HG+          39 PRO  HA          5.50    (#    223:25  Preassigned    4.01, 4.80 A)
 &rst
  ixpk= 223, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 398, 399,
 &end
#
#   39 PRO  HG-          39 PRO  HA          5.50    (#    224:25  Preassigned    3.81, 3.97 A)
 &rst
  ixpk= 224, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 618, 619,
 &end
#
#   39 PRO  HG+          39 PRO  HA          5.50    (#    225:25  Preassigned    3.81, 3.97 A)
 &rst
  ixpk= 225, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 618, 619,
 &end
#
#   39 PRO  HB-          39 PRO  HA          4.50    (#    226:25  Preassigned    2.33, 2.54 A)
 &rst
  ixpk= 226, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 621, 622,
 &end
#
#   40 ILE  HB           39 PRO  HA          5.50    (#    227:25  Preassigned    4.68, 4.74 A)
 &rst
  ixpk= 227, nxpk= 25, iat= 632, 624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HN           39 PRO  HA          5.50    (#    228:25  Preassigned    3.41, 3.53 A)
 &rst
  ixpk= 228, nxpk= 25, iat= 451, 624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HN           39 PRO  HA          2.80    (#    229:25  Preassigned    2.29, 2.32 A)
 &rst
  ixpk= 229, nxpk= 25, iat= 628, 624, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   39 PRO  HD+          39 PRO  HA          5.50    (#    231:25  Preassigned    3.59, 3.85 A)
 &rst
  ixpk= 231, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 615, 616,
 &end
#
#   39 PRO  HB+          39 PRO  HA          3.50    (#    232:25  Preassigned    2.33, 2.54 A)
 &rst
  ixpk= 232, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 621, 622,
 &end
#
#   30 ILE  HG1+         39 PRO  HA          5.50    (#    233:25  Preassigned    2.40, 3.35 A)
 &rst
  ixpk= 233, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 442, 443,
 &end
#
#    0 AMB  25-3:234     39 PRO  HA          4.50    (#    234:25  Single Ambig)
 &rst
  ixpk= 234, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 442, 443, 438, 439, 440,
 &end
#
#    0 AMB  25-3:235     39 PRO  HA          5.50    (#    235:25  Single Ambig)
 &rst
  ixpk= 235, nxpk= 25, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 641, 642, 643, 634, 635, 636,
 &end
#
#    5 ILE  HN           64 VAL  HA          5.50    (#    236:25  Preassigned    3.51, 3.63 A)
 &rst
  ixpk= 236, nxpk= 25, iat=  45,1001, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 SER  HA           64 VAL  HA          3.50    (#    237:25  Preassigned    2.42, 2.51 A)
 &rst
  ixpk= 237, nxpk= 25, iat=  36,1001, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:238     14 VAL  HA          5.50    (#    238:25  Single Ambig)
 &rst
  ixpk= 238, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 174, 434,
 &end
#
#   30 ILE  HN           14 VAL  HA          5.50    (#    239:25  Preassigned    3.72, 3.77 A)
 &rst
  ixpk= 239, nxpk= 25, iat= 432, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HA           14 VAL  HA          5.50    (#    240:25  Preassigned    4.46, 4.47 A)
 &rst
  ixpk= 240, nxpk= 25, iat= 212, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:241     14 VAL  HA          5.50    (#    241:25  Single Ambig)
 &rst
  ixpk= 241, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 176, 233, 234, 235, 445, 446, 447,
 &end
#
#   14 VAL  HN           14 VAL  HA          4.50    (#    242:25  Preassigned    2.93, 2.94 A)
 &rst
  ixpk= 242, nxpk= 25, iat= 194, 196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HN           14 VAL  HA          2.80    (#    243:25  Preassigned    2.19, 2.21 A)
 &rst
  ixpk= 243, nxpk= 25, iat= 210, 196, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   16 VAL  HN           14 VAL  HA          5.50    (#    244:25  Preassigned    3.93, 4.00 A)
 &rst
  ixpk= 244, nxpk= 25, iat= 227, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HB           14 VAL  HA          5.50    (#    245:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 245, nxpk= 25, iat= 198, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  QB           14 VAL  HA          3.50    (#    246:25  Preassigned    2.62, 3.43 A)
 &rst
  ixpk= 246, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 426, 427, 428,
 &end
#
#    0 AMB  25-3:247     14 VAL  HA          5.50    (#    247:25  Single Ambig)
 &rst
  ixpk= 247, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 136, 177,
 &end
#
#   14 VAL  QG1          14 VAL  HA          3.50    (#    248:25  Preassigned    2.52, 3.18 A)
 &rst
  ixpk= 248, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 200, 201, 202,
 &end
#
#   14 VAL  QG2          14 VAL  HA          3.50    (#    249:25  Preassigned    2.44, 3.12 A)
 &rst
  ixpk= 249, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 204, 205, 206,
 &end
#
#   65 LEU  QD-          14 VAL  HA          5.50    (#    250:25  Preassigned    4.34, 6.26 A)
 &rst
  ixpk= 250, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:252     14 VAL  HA          5.50    (#    252:25  Single Ambig)
 &rst
  ixpk= 252, nxpk= 25, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 174, 434,
 &end
#
#    0 AMB  25-3:254      3 VAL  HA          5.50    (#    254:25  Single Ambig)
 &rst
  ixpk= 254, nxpk= 25, iat=  -1,  20, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  38,  39,
 &end
#
#   67 GLU  HN           51 VAL  HA          5.50    (#    255:25  Preassigned    3.16, 3.56 A)
 &rst
  ixpk= 255, nxpk= 25, iat=1053, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HN           51 VAL  HA          5.50    (#    256:25  Preassigned    3.71, 3.79 A)
 &rst
  ixpk= 256, nxpk= 25, iat= 837, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 VAL  HN           51 VAL  HA          5.50    (#    258:25  Preassigned    2.97, 2.98 A)
 &rst
  ixpk= 258, nxpk= 25, iat= 799, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HN           51 VAL  HA          2.80    (#    259:25  Preassigned    2.14, 2.18 A)
 &rst
  ixpk= 259, nxpk= 25, iat= 815, 801, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   66 LEU  HA           51 VAL  HA          4.50    (#    260:25  Preassigned    2.36, 2.47 A)
 &rst
  ixpk= 260, nxpk= 25, iat=1036, 801, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  HB           51 VAL  HA          4.50    (#    261:25  Preassigned    3.03, 3.04 A)
 &rst
  ixpk= 261, nxpk= 25, iat= 803, 801, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HB-          51 VAL  HA          5.50    (#    262:25  Preassigned    3.84, 4.89 A)
 &rst
  ixpk= 262, nxpk= 25, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1038,1039,
 &end
#
#    0 AMB  25-3:263     51 VAL  HA          5.50    (#    263:25  Single Ambig)
 &rst
  ixpk= 263, nxpk= 25, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1041, 825, 826,
 &end
#
#   51 VAL  QG1          51 VAL  HA          3.50    (#    264:25  Preassigned    2.42, 2.99 A)
 &rst
  ixpk= 264, nxpk= 25, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 805, 806, 807,
 &end
#
#    0 AMB  25-3:266     51 VAL  HA          2.80    (#    266:25  Single Ambig)
 &rst
  ixpk= 266, nxpk= 25, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049, 809, 810, 811,
 &end
#
#   48 VAL  QG1          51 VAL  HA          5.50    (#    267:25  Preassigned    3.89, 4.40 A)
 &rst
  ixpk= 267, nxpk= 25, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#    0 AMB  25-3:268     51 VAL  HA          4.50    (#    268:25  Single Ambig)
 &rst
  ixpk= 268, nxpk= 25, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1038,1039, 819,1058,
 &end
#
#   52 LYS  HG+          51 VAL  HA          5.50    (#    269:25  Preassigned    3.43, 4.46 A)
 &rst
  ixpk= 269, nxpk= 25, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   53 LYS  HN           51 VAL  HA          5.50    (#    270:25  Preassigned    3.71, 3.79 A)
 &rst
  ixpk= 270, nxpk= 25, iat= 837, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HN           30 ILE  HA          5.50    (#    272:25  Preassigned    2.96, 2.97 A)
 &rst
  ixpk= 272, nxpk= 25, iat= 432, 434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 VAL  HB            3 VAL  HA          5.50    (#    273:25  Preassigned    3.01, 3.03 A)
 &rst
  ixpk= 273, nxpk= 25, iat=  22,  20, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 SER  HN            3 VAL  HA          2.80    (#    274:25  Preassigned    2.27, 2.31 A)
 &rst
  ixpk= 274, nxpk= 25, iat=  34,  20, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   65 LEU  HN            3 VAL  HA          5.50    (#    275:25  Preassigned    5.21, 5.30 A)
 &rst
  ixpk= 275, nxpk= 25, iat=1015,  20, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HG1-         30 ILE  HA          5.50    (#    277:25  Preassigned    2.39, 3.36 A)
 &rst
  ixpk= 277, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 638, 639,
 &end
#
#    3 VAL  QG1           3 VAL  HA          3.50    (#    278:25  Preassigned    2.38, 3.02 A)
 &rst
  ixpk= 278, nxpk= 25, iat=  -1,  20, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  24,  25,  26,
 &end
#
#   40 ILE  QG2          30 ILE  HA          5.50    (#    279:25  Unique         5.78, 6.13 A)
 &rst
  ixpk= 279, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 634, 635, 636,
 &end
#
#    0 AMB  25-3:281      3 VAL  HA          5.50    (#    281:25  Single Ambig)
 &rst
  ixpk= 281, nxpk= 25, iat=  -1,  20, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   73 GLN  HN           72 THR  HA          5.50    (#    282:25  Preassigned    2.22, 2.82 A)
 &rst
  ixpk= 282, nxpk= 25, iat=1137,1125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 THR  HB           72 THR  HA          4.50    (#    283:25  Preassigned    2.47, 2.60 A)
 &rst
  ixpk= 283, nxpk= 25, iat=1127,1125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLN  HA           72 THR  HA          5.50    (#    284:25  Preassigned    4.41, 4.62 A)
 &rst
  ixpk= 284, nxpk= 25, iat=1139,1125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 THR  QG2          72 THR  HA          5.50    (#    287:25  Preassigned    2.37, 2.99 A)
 &rst
  ixpk= 287, nxpk= 25, iat=  -1,1125, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1129,1130,1131,
 &end
#
#    0 AMB  25-3:288     30 ILE  HA          5.50    (#    288:25  Single Ambig)
 &rst
  ixpk= 288, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 630, 131,
 &end
#
#   30 ILE  HG1+         30 ILE  HA          5.50    (#    289:25  Preassigned    2.55, 2.93 A)
 &rst
  ixpk= 289, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 442, 443,
 &end
#
#    0 AMB  25-3:290     30 ILE  HA          3.50    (#    290:25  Single Ambig)
 &rst
  ixpk= 290, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 438, 439, 440, 442, 443,
 &end
#
#   31 LEU  HN           30 ILE  HA          2.80    (#    291:25  Preassigned    2.19, 2.21 A)
 &rst
  ixpk= 291, nxpk= 25, iat= 451, 434, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   40 ILE  HN           30 ILE  HA          4.50    (#    292:25  Preassigned    2.74, 2.84 A)
 &rst
  ixpk= 292, nxpk= 25, iat= 628, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 PRO  HA           30 ILE  HA          3.50    (#    293:25  Preassigned    2.34, 2.35 A)
 &rst
  ixpk= 293, nxpk= 25, iat= 624, 434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:294     30 ILE  HA          5.50    (#    294:25  Single Ambig)
 &rst
  ixpk= 294, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 424, 615, 616,
 &end
#
#   30 ILE  HB           30 ILE  HA          5.50    (#    295:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 295, nxpk= 25, iat= 436, 434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HG1+         30 ILE  HA          5.50    (#    296:25  Preassigned    2.39, 3.36 A)
 &rst
  ixpk= 296, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 638, 639,
 &end
#
#   38 ILE  HN           30 ILE  HA          5.50    (#    297:25  Preassigned    4.53, 4.69 A)
 &rst
  ixpk= 297, nxpk= 25, iat= 595, 434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 PRO  HB+          30 ILE  HA          5.50    (#    298:25  Preassigned    4.54, 4.71 A)
 &rst
  ixpk= 298, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 621, 622,
 &end
#
#    6 GLN  HN            5 ILE  HA          3.50    (#    299:25  Preassigned    2.30, 2.34 A)
 &rst
  ixpk= 299, nxpk= 25, iat=  64,  47, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ILE  HN            5 ILE  HA          4.50    (#    300:25  Preassigned    2.89, 2.90 A)
 &rst
  ixpk= 300, nxpk= 25, iat=  45,  47, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 MET  HN            5 ILE  HA          5.50    (#    301:25  Preassigned    4.02, 4.11 A)
 &rst
  ixpk= 301, nxpk= 25, iat=  81,  47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:302      5 ILE  HA          5.50    (#    302:25  Single Ambig)
 &rst
  ixpk= 302, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  71,  72,  68,
 &end
#
#    6 GLN  HB3           5 ILE  HA          5.50    (#    303:25  Preassigned    3.97, 4.03 A)
 &rst
  ixpk= 303, nxpk= 25, iat=  69,  47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HB            5 ILE  HA          4.50    (#    304:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 304, nxpk= 25, iat=  49,  47, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ILE  HG1+          5 ILE  HA          4.50    (#    305:25  Preassigned    2.35, 3.44 A)
 &rst
  ixpk= 305, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
#    5 ILE  QG2           5 ILE  HA          3.50    (#    306:25  Preassigned    2.50, 3.24 A)
 &rst
  ixpk= 306, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  51,  52,  53,
 &end
#
#   65 LEU  QD+           5 ILE  HA          5.50    (#    307:25  Preassigned    3.50, 5.96 A)
 &rst
  ixpk= 307, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#    5 ILE  QD1           5 ILE  HA          3.50    (#    308:25  Preassigned    2.12, 3.13 A)
 &rst
  ixpk= 308, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  58,  59,  60,
 &end
#
#    6 GLN  HA            5 ILE  HA          5.50    (#    309:25  Preassigned    4.43, 4.47 A)
 &rst
  ixpk= 309, nxpk= 25, iat=  66,  47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HG1-          5 ILE  HA          4.50    (#    311:25  Preassigned    2.35, 3.44 A)
 &rst
  ixpk= 311, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
#    0 AMB  25-3:312      5 ILE  HA          5.50    (#    312:25  Single Ambig)
 &rst
  ixpk= 312, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 638, 639,1019,
 &end
#
#    5 SER  HA            4 ILE  HA          5.50    (#    313:25  Preassigned    4.35, 4.38 A)
 &rst
  ixpk= 313, nxpk= 25, iat=  36,  47, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:314      5 ILE  HA          5.50    (#    314:25  Single Ambig)
 &rst
  ixpk= 314, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  39,  38, 982, 983,
 &end
#
#    0 AMB  25-3:316     40 ILE  HA          5.50    (#    316:25  Single Ambig)
 &rst
  ixpk= 316, nxpk= 25, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 624, 393,
 &end
#
#   40 ILE  HB           40 ILE  HA          4.50    (#    317:25  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 317, nxpk= 25, iat= 632, 630, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:318     40 ILE  HA          2.80    (#    318:25  Single Ambig)
 &rst
  ixpk= 318, nxpk= 25, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 647, 628,
 &end
#
#    6 GLN  HE22         40 ILE  HA          5.50    (#    319:25  Preassigned    3.32, 4.08 A)
 &rst
  ixpk= 319, nxpk= 25, iat=  77, 630, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HA           40 ILE  HA          7.00    (#    320:25  Preassigned    5.77, 6.29 A)
 &rst
  ixpk= 320, nxpk= 25, iat=  47, 630, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   40 ILE  HG1-         40 ILE  HA          4.50    (#    321:25  Preassigned    2.95, 3.49 A)
 &rst
  ixpk= 321, nxpk= 25, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 638, 639,
 &end
#
#   41 VAL  QG2          40 ILE  HA          4.50    (#    322:25  Preassigned    3.76, 4.83 A)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 657, 658, 659,
 &end
#
#    0 AMB  25-3:323     40 ILE  HA          2.80    (#    323:25  Single Ambig)
 &rst
  ixpk= 323, nxpk= 25, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 641, 642, 643, 634, 635, 636,
 &end
#
#    0 AMB  25-3:324     40 ILE  HA          5.50    (#    324:25  Single Ambig)
 &rst
  ixpk= 324, nxpk= 25, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 621, 622, 651,
 &end
#
#   40 ILE  HG1+         40 ILE  HA          4.50    (#    325:25  Preassigned    2.95, 3.49 A)
 &rst
  ixpk= 325, nxpk= 25, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 638, 639,
 &end
#
#   30 ILE  HA           40 ILE  HA          5.50    (#    326:25  Preassigned    5.04, 5.11 A)
 &rst
  ixpk= 326, nxpk= 25, iat= 434, 630, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  QE           59 VAL  HA          5.50    (#    329:25  Preassigned    2.88, 4.08 A)
 &rst
  ixpk= 329, nxpk= 25, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#    0 AMB  25-3:330     47 ILE  HA          5.50    (#    330:25  Single Ambig)
 &rst
  ixpk= 330, nxpk= 25, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 746, 311,
 &end
#
#    0 AMB  25-3:331     16 VAL  HA          4.50    (#    331:25  Single Ambig)
 &rst
  ixpk= 331, nxpk= 25, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 237, 238, 239, 809, 810, 811,1043,1044,1045,1047,
      1048,1049,1043,1044,1045,1047,1048,1049,
 &end
#
#   59 VAL  HN           59 VAL  HA          4.50    (#    332:25  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 332, nxpk= 25, iat= 935, 937, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASN  HN           59 VAL  HA          2.80    (#    333:25  Preassigned    2.39, 2.41 A)
 &rst
  ixpk= 333, nxpk= 25, iat= 951, 937, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 VAL  QG1          59 VAL  HA          3.50    (#    334:25  Preassigned    2.36, 2.99 A)
 &rst
  ixpk= 334, nxpk= 25, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 941, 942, 943,
 &end
#
#   59 PHE  HD           58 VAL  HA          5.50    (#    335:25  Preassigned    3.79, 5.04 A)
 &rst
  ixpk= 335, nxpk= 25, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 931,
 &end
#
#   60 ASN  HA           59 VAL  HA          5.50    (#    336:25  Preassigned    4.47, 4.49 A)
 &rst
  ixpk= 336, nxpk= 25, iat= 953, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HB3          59 VAL  HA          5.50    (#    337:25  Preassigned    3.24, 3.32 A)
 &rst
  ixpk= 337, nxpk= 25, iat= 992, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HB+          59 VAL  HA          5.50    (#    338:25  Preassigned    3.88, 4.56 A)
 &rst
  ixpk= 338, nxpk= 25, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 955, 956,
 &end
#
#   60 ASN  HB-          59 VAL  HA          5.50    (#    339:25  Preassigned    3.88, 4.56 A)
 &rst
  ixpk= 339, nxpk= 25, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 955, 956,
 &end
#
#   59 VAL  HB           59 VAL  HA          3.50    (#    340:25  Preassigned    2.53, 2.57 A)
 &rst
  ixpk= 340, nxpk= 25, iat= 939, 937, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 VAL  QG2          59 VAL  HA          4.50    (#    341:25  Preassigned    3.73, 3.96 A)
 &rst
  ixpk= 341, nxpk= 25, iat=  -1, 937, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 945, 946, 947,
 &end
#
#   57 ASP  HN           55 GLU  HA          5.50    (#    342:25  Preassigned    3.12, 3.72 A)
 &rst
  ixpk= 342, nxpk= 25, iat= 903, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HA           55 GLU  HA          5.50    (#    343:25  Preassigned    2.92, 3.10 A)
 &rst
  ixpk= 343, nxpk= 25, iat= 174, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLY  HA-          55 GLU  HA          4.50    (#    344:25  Preassigned    4.29, 4.37 A)
 &rst
  ixpk= 344, nxpk= 25, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 898, 899,
 &end
#
#   55 GLU  HG+          55 GLU  HA          4.50    (#    345:25  Preassigned    2.40, 3.02 A)
 &rst
  ixpk= 345, nxpk= 25, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 888, 889,
 &end
#
#   55 GLU  HG-          55 GLU  HA          4.50    (#    346:25  Preassigned    2.40, 3.02 A)
 &rst
  ixpk= 346, nxpk= 25, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 888, 889,
 &end
#
#   55 GLU  QB           55 GLU  HA          3.50    (#    347:25  Preassigned    2.32, 2.72 A)
 &rst
  ixpk= 347, nxpk= 25, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 885, 886,
 &end
#
#   11 LEU  HB3          55 GLU  HA          4.50    (#    348:25  Preassigned    2.35, 3.63 A)
 &rst
  ixpk= 348, nxpk= 25, iat= 134, 883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HB2          55 GLU  HA          5.50    (#    349:25  Preassigned    3.21, 5.28 A)
 &rst
  ixpk= 349, nxpk= 25, iat= 133, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  QD+          55 GLU  HA          5.50    (#    350:25  Unique         3.14, 5.82 A)
 &rst
  ixpk= 350, nxpk= 25, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  QD-          55 GLU  HA          5.50    (#    351:25  Preassigned    3.14, 5.82 A)
 &rst
  ixpk= 351, nxpk= 25, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   56 GLY  HN           55 GLU  HA          2.80    (#    352:25  Preassigned    2.12, 2.13 A)
 &rst
  ixpk= 352, nxpk= 25, iat= 896, 883, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   55 GLU  HN           55 GLU  HA          4.50    (#    353:25  Preassigned    2.68, 2.72 A)
 &rst
  ixpk= 353, nxpk= 25, iat= 881, 883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HG           55 GLU  HA          5.50    (#    354:25  Preassigned    3.11, 3.96 A)
 &rst
  ixpk= 354, nxpk= 25, iat= 136, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  QG2          55 GLU  HA          4.50    (#    355:25  Preassigned    2.39, 3.47 A)
 &rst
  ixpk= 355, nxpk= 25, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 204, 205, 206,
 &end
#
#   17 LYS  HN           16 VAL  HA          2.80    (#    356:25  Preassigned    2.33, 2.36 A)
 &rst
  ixpk= 356, nxpk= 25, iat= 243, 229, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   16 VAL  HN           16 VAL  HA          4.50    (#    357:25  Preassigned    2.96, 2.97 A)
 &rst
  ixpk= 357, nxpk= 25, iat= 227, 229, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLY  HN           58 PHE  HA          5.50    (#    358:25  Preassigned    5.16, 5.22 A)
 &rst
  ixpk= 358, nxpk= 25, iat= 108, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HB3          58 PHE  HA          5.50    (#    359:25  Unique         3.86, 4.08 A)
 &rst
  ixpk= 359, nxpk= 25, iat= 120, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN           58 PHE  HA          5.50    (#    360:25  Preassigned    3.59, 3.75 A)
 &rst
  ixpk= 360, nxpk= 25, iat= 129, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:361     58 PHE  HA          2.80    (#    361:25  Single Ambig)
 &rst
  ixpk= 361, nxpk= 25, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 935, 915,
 &end
#
#   58 PHE  HD           58 PHE  HA          4.50    (#    362:25  Preassigned    2.62, 3.52 A)
 &rst
  ixpk= 362, nxpk= 25, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 923, 931,
 &end
#
#    10 ASN  HA           58 PHE  HA          3.50    (#    363:25  Preassigned    2.44, 2.48 A)
 &rst
  ixpk= 363, nxpk= 25, iat= 117, 917, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 PHE  HB3          58 PHE  HA          4.50    (#    364:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 364, nxpk= 25, iat= 920, 917, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:365     58 PHE  HA          5.50    (#    365:25  Single Ambig)
 &rst
  ixpk= 365, nxpk= 25, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 908, 119,
 &end
#
#   59 VAL  QG2          58 PHE  HA          5.50    (#    366:25  Preassigned    3.15, 4.30 A)
 &rst
  ixpk= 366, nxpk= 25, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 945, 946, 947,
 &end
#
#   58 PHE  HB2          58 PHE  HA          4.50    (#    367:25  Preassigned    2.45, 2.46 A)
 &rst
  ixpk= 367, nxpk= 25, iat= 919, 917, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 VAL  QG1          58 PHE  HA          5.50    (#    368:25  Preassigned    4.13, 5.14 A)
 &rst
  ixpk= 368, nxpk= 25, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 941, 942, 943,
 &end
#
#   12 TRP  HB3          12 TRP  HA          4.50    (#    369:25  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 369, nxpk= 25, iat= 153, 150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HE3          12 TRP  HA          5.50    (#    371:25  Preassigned    5.18, 5.22 A)
 &rst
  ixpk= 371, nxpk= 25, iat= 167, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HD1          12 TRP  HA          5.50    (#    372:25  Preassigned    2.70, 2.85 A)
 &rst
  ixpk= 372, nxpk= 25, iat= 156, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB2          12 TRP  HA          4.50    (#    373:25  Preassigned    2.37, 2.39 A)
 &rst
  ixpk= 373, nxpk= 25, iat= 152, 150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 GLY  HN           12 TRP  HA          5.50    (#    374:25  Preassigned    3.27, 3.47 A)
 &rst
  ixpk= 374, nxpk= 25, iat= 896, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           12 TRP  HA          5.50    (#    375:25  Preassigned    3.66, 3.67 A)
 &rst
  ixpk= 375, nxpk= 25, iat= 172, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HB           16 VAL  HA          3.50    (#    377:25  Preassigned    2.53, 2.58 A)
 &rst
  ixpk= 377, nxpk= 25, iat= 231, 229, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 VAL  QG1          16 VAL  HA          3.50    (#    378:25  Preassigned    2.31, 2.95 A)
 &rst
  ixpk= 378, nxpk= 25, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 233, 234, 235,
 &end
#
#   72 THR  HB           71 SER  HA          7.00    (#    380:25  Preassigned    5.63, 6.15 A)
 &rst
  ixpk= 380, nxpk= 25, iat=1127,1114, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   72 THR  HA           71 SER  HA          5.50    (#    381:25  Preassigned    4.35, 4.59 A)
 &rst
  ixpk= 381, nxpk= 25, iat=1125,1114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 GLY  HA+          71 SER  HA          7.00    (#    382:25  Preassigned    2.35, 5.66 A)
 &rst
  ixpk= 382, nxpk= 25, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 722, 723,
 &end
#
#    0 AMB  25-3:384     71 SER  HA          5.50    (#    384:25  Single Ambig)
 &rst
  ixpk= 384, nxpk= 25, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1116,1117,1116,1117,
 &end
#
#   72 THR  HN           71 SER  HA          5.50    (#    385:25  Preassigned    2.19, 2.94 A)
 &rst
  ixpk= 385, nxpk= 25, iat=1123,1114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  H63          35 BTL  HA          5.50    (#    386:25  Preassigned    3.92, 4.21 A)
 &rst
  ixpk= 386, nxpk= 25, iat= 549, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 MET  HA           34 BTL  HA          5.50    (#    387:25  Preassigned    4.42, 4.49 A)
 &rst
  ixpk= 387, nxpk= 25, iat= 498, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HB           55 GLU  HA          5.50    (#    388:25  Preassigned    3.95, 4.10 A)
 &rst
  ixpk= 388, nxpk= 25, iat= 198, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HA           24 LYS  HA          5.50    (#    390:25  Preassigned    3.00, 3.47 A)
 &rst
  ixpk= 390, nxpk= 25, iat= 687, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 GLY  HN           24 LYS  HA          2.80    (#    391:25  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 391, nxpk= 25, iat= 367, 347, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:392     24 LYS  HA          3.50    (#    392:25  Single Ambig)
 &rst
  ixpk= 392, nxpk= 25, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 345, 374, 709,
 &end
#
#   44 ARG  HN           24 LYS  HA          5.50    (#    393:25  Preassigned    3.14, 3.61 A)
 &rst
  ixpk= 393, nxpk= 25, iat= 685, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:394     24 LYS  HA          4.50    (#    394:25  Single Ambig)
 &rst
  ixpk= 394, nxpk= 25, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 711, 675,
 &end
#
#   25 GLY  HA+          24 LYS  HA          5.50    (#    395:25  Preassigned    4.38, 4.44 A)
 &rst
  ixpk= 395, nxpk= 25, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 369, 370,
 &end
#
#   24 LYS  HB3          24 LYS  HA          4.50    (#    396:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 396, nxpk= 25, iat= 350, 347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 ALA  QB           24 LYS  HA          4.50    (#    397:25  Preassigned    2.56, 3.50 A)
 &rst
  ixpk= 397, nxpk= 25, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 667, 668, 669,
 &end
#
#   24 LYS  HB2          24 LYS  HA          3.50    (#    398:25  Preassigned    2.43, 2.48 A)
 &rst
  ixpk= 398, nxpk= 25, iat= 349, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   24 LYS  QG           24 LYS  HA          3.50    (#    399:25  Preassigned    2.41, 2.81 A)
 &rst
  ixpk= 399, nxpk= 25, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 352, 353,
 &end
#
#    0 AMB  25-3:401     22 ILE  HA          5.50    (#    401:25  Single Ambig)
 &rst
  ixpk= 401, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 301, 302, 378,
 &end
#
#    0 AMB  25-3:402     22 ILE  HA          5.50    (#    402:25  Single Ambig)
 &rst
  ixpk= 402, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 379, 334, 298, 299,
 &end
#
#   22 ILE  HN           22 ILE  HA          4.50    (#    403:25  Preassigned    2.95, 2.96 A)
 &rst
  ixpk= 403, nxpk= 25, iat= 311, 313, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLU  HN           22 ILE  HA          2.80    (#    404:25  Preassigned    2.31, 2.38 A)
 &rst
  ixpk= 404, nxpk= 25, iat= 330, 313, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 GLN  HE22         22 ILE  HA          5.50    (#    405:25  Preassigned    2.35, 4.61 A)
 &rst
  ixpk= 405, nxpk= 25, iat= 387, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HB           22 ILE  HA          3.50    (#    406:25  Preassigned    2.41, 2.43 A)
 &rst
  ixpk= 406, nxpk= 25, iat= 315, 313, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 ILE  HG1-         22 ILE  HA          5.50    (#    407:25  Preassigned    3.74, 3.80 A)
 &rst
  ixpk= 407, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 321, 322,
 &end
#
#   22 ILE  QG2          22 ILE  HA          3.50    (#    408:25  Preassigned    2.39, 3.10 A)
 &rst
  ixpk= 408, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 317, 318, 319,
 &end
#
#   22 ILE  QD1          22 ILE  HA          4.50    (#    409:25  Preassigned    4.73, 5.13 A)
 &rst
  ixpk= 409, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 324, 325, 326,
 &end
#
#   22 ILE  HG1+         22 ILE  HA          5.50    (#    410:25  Preassigned    3.74, 3.80 A)
 &rst
  ixpk= 410, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 321, 322,
 &end
#
#   48 VAL  QG2          22 ILE  HA          5.50    (#    411:25  Preassigned    5.25, 6.02 A)
 &rst
  ixpk= 411, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#    9 GLY  HN           58 PHE  HA          5.50    (#    412:25  Preassigned    5.16, 5.22 A)
 &rst
  ixpk= 412, nxpk= 25, iat= 108, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HN           69 SER  HA          4.50    (#    414:25  Preassigned    2.81, 2.88 A)
 &rst
  ixpk= 414, nxpk= 25, iat=1087,1089, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 SER  QB           69 SER  HA          3.50    (#    416:25  Preassigned    2.40, 2.74 A)
 &rst
  ixpk= 416, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1091,1092,
 &end
#
#    0 AMB  25-3:417     69 SER  HA          4.50    (#    417:25  Single Ambig)
 &rst
  ixpk= 417, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 772, 773, 766,
 &end
#
#   49 LYS  HD+          69 SER  HA          5.50    (#    418:25  Preassigned    2.43, 4.56 A)
 &rst
  ixpk= 418, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 772, 773,
 &end
#
#    0 AMB  25-3:419     69 SER  HA          5.50    (#    419:25  Single Ambig)
 &rst
  ixpk= 419, nxpk= 25, iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 769, 770,1072,
 &end
#
#   36 MET  HN           35 BTL  HA          5.50    (#    421:25  Preassigned    2.99, 3.17 A)
 &rst
  ixpk= 421, nxpk= 25, iat= 563, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HB2          35 BTL  HA          4.50    (#    422:25  Preassigned    2.58, 2.97 A)
 &rst
  ixpk= 422, nxpk= 25, iat= 517, 515, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 BTL  HB3          35 BTL  HA          3.50    (#    423:25  Preassigned    2.37, 2.49 A)
 &rst
  ixpk= 423, nxpk= 25, iat= 518, 515, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 BTL  HD+          35 BTL  HA          4.50    (#    424:25  Unique         2.29, 4.27 A)
 &rst
  ixpk= 424, nxpk= 25, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 523, 524,
 &end
#
#   35 BTL  H82          35 BTL  HA          5.50    (#    425:25  Preassigned    3.11, 3.53 A)
 &rst
  ixpk= 425, nxpk= 25, iat= 539, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HN           35 BTL  HA          3.50    (#    426:25  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 426, nxpk= 25, iat= 513, 515, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:427     35 BTL  HA          4.50    (#    427:25  Single Ambig)
 &rst
  ixpk= 427, nxpk= 25, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 548, 477, 478,
 &end
#
#   32 GLU  HG-          35 BTL  HA          4.50    (#    428:25  Preassigned    2.59, 3.34 A)
 &rst
  ixpk= 428, nxpk= 25, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#   35 BTL  HG-          35 BTL  HA          4.50    (#    429:25  Preassigned    2.21, 2.89 A)
 &rst
  ixpk= 429, nxpk= 25, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 520, 521,
 &end
#
#   62 GLY  HN           61 GLU  HA          2.80    (#    430:25  Preassigned    2.17, 2.19 A)
 &rst
  ixpk= 430, nxpk= 25, iat= 980, 967, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 GLU  HN           61 GLU  HA          4.50    (#    431:25  Preassigned    2.82, 2.83 A)
 &rst
  ixpk= 431, nxpk= 25, iat= 965, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 ASN  HA           60 GLU  HA          5.50    (#    432:25  Preassigned    4.25, 4.30 A)
 &rst
  ixpk= 432, nxpk= 25, iat= 953, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HA           61 GLU  HA          5.50    (#    433:25  Preassigned    3.55, 3.77 A)
 &rst
  ixpk= 433, nxpk= 25, iat=  83, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HA           61 GLU  HA          4.50    (#    434:25  Preassigned    2.61, 2.75 A)
 &rst
  ixpk= 434, nxpk= 25, iat=  66, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:435     61 GLU  HA          4.50    (#    435:25  Single Ambig)
 &rst
  ixpk= 435, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 982, 983,  39,
 &end
#
#    0 AMB  25-3:436     61 GLU  HA          5.50    (#    436:25  Single Ambig)
 &rst
  ixpk= 436, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  69,  85,  86,
 &end
#
#   61 GLU  HB2          61 GLU  HA          2.80    (#    437:25  Preassigned    2.44, 2.49 A)
 &rst
  ixpk= 437, nxpk= 25, iat= 969, 967, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 ILE  QG2          61 GLU  HA          5.50    (#    438:25  Preassigned    2.95, 4.31 A)
 &rst
  ixpk= 438, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  25-3:439     61 GLU  HA          5.50    (#    439:25  Single Ambig)
 &rst
  ixpk= 439, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 987,  98,
 &end
#
#    7 MET  HN           61 GLU  HA          5.50    (#    440:25  Preassigned    2.90, 3.04 A)
 &rst
  ixpk= 440, nxpk= 25, iat=  81, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:441     61 GLU  HA          4.50    (#    441:25  Single Ambig)
 &rst
  ixpk= 441, nxpk= 25, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 972, 973, 972, 973,
 &end
#
#   39 PRO  HD+          38 ILE  HA          2.80    (#    442:25  Preassigned    2.09, 2.40 A)
 &rst
  ixpk= 442, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 615, 616,
 &end
#
#   39 PRO  HD-          38 ILE  HA          3.50    (#    443:25  Preassigned    2.09, 2.40 A)
 &rst
  ixpk= 443, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 615, 616,
 &end
#
#   39 PRO  HG-          38 ILE  HA          5.50    (#    444:25  Preassigned    4.26, 4.48 A)
 &rst
  ixpk= 444, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 618, 619,
 &end
#
#   38 ILE  HB           38 ILE  HA          5.50    (#    445:25  Preassigned    3.00, 3.02 A)
 &rst
  ixpk= 445, nxpk= 25, iat= 599, 597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HG1+         38 ILE  HA          5.50    (#    446:25  Preassigned    2.68, 3.13 A)
 &rst
  ixpk= 446, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#    0 AMB  25-3:447     38 ILE  HA          5.50    (#    447:25  Single Ambig)
 &rst
  ixpk= 447, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 438, 439, 440, 442, 443,
 &end
#
#   38 ILE  QG2          38 ILE  HA          4.50    (#    448:25  Preassigned    2.47, 2.98 A)
 &rst
  ixpk= 448, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 601, 602, 603,
 &end
#
#   38 ILE  QD1          38 ILE  HA          4.50    (#    449:25  Preassigned    3.93, 4.84 A)
 &rst
  ixpk= 449, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 608, 609, 610,
 &end
#
#   38 ILE  HN           38 ILE  HA          5.50    (#    450:25  Preassigned    2.95, 2.96 A)
 &rst
  ixpk= 450, nxpk= 25, iat= 595, 597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HG1-         38 ILE  HA          5.50    (#    451:25  Preassigned    2.68, 3.13 A)
 &rst
  ixpk= 451, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#    0 AMB  25-3:452     38 ILE  HA          5.50    (#    452:25  Single Ambig)
 &rst
  ixpk= 452, nxpk= 25, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 587, 588, 618, 619,
 &end
#
#    0 AMB  25-3:453      4 SER  HA          5.50    (#    453:25  Single Ambig)
 &rst
  ixpk= 453, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  20, 989,
 &end
#
#    4 SER  HN            4 SER  HA          4.50    (#    454:25  Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 454, nxpk= 25, iat=  34,  36, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LEU  HN            4 SER  HA          4.50    (#    455:25  Preassigned    2.47, 2.63 A)
 &rst
  ixpk= 455, nxpk= 25, iat=1015,  36, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:456      4 SER  HA          5.50    (#    456:25  Single Ambig)
 &rst
  ixpk= 456, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1017, 982, 983,
 &end
#
#   64 VAL  HA            4 SER  HA          3.50    (#    457:25  Preassigned    2.42, 2.51 A)
 &rst
  ixpk= 457, nxpk= 25, iat=1001,  36, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:458      4 SER  HA          3.50    (#    458:25  Single Ambig)
 &rst
  ixpk= 458, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  39,  38,
 &end
#
#   65 LEU  HB2           4 SER  HA          5.50    (#    459:25  Preassigned    2.57, 3.10 A)
 &rst
  ixpk= 459, nxpk= 25, iat=1019,  36, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HN            4 SER  HA          3.50    (#    460:25  Preassigned    2.21, 2.26 A)
 &rst
  ixpk= 460, nxpk= 25, iat=  45,  36, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 ILE  HA            4 SER  HA          5.50    (#    461:25  Preassigned    4.35, 4.38 A)
 &rst
  ixpk= 461, nxpk= 25, iat=  47,  36, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:462      4 SER  HA          5.50    (#    462:25  Single Ambig)
 &rst
  ixpk= 462, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  49,1003,
 &end
#
#    0 AMB  25-3:463      4 SER  HA          5.50    (#    463:25  Single Ambig)
 &rst
  ixpk= 463, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  55,  56,1022,
 &end
#
#    0 AMB  25-3:464      4 SER  HA          5.50    (#    464:25  Single Ambig)
 &rst
  ixpk= 464, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  24,  25,  26,1009,1010,1011,
 &end
#
#    0 AMB  25-3:465      4 SER  HA          5.50    (#    465:25  Single Ambig)
 &rst
  ixpk= 465, nxpk= 25, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  51,  52,  53,  28,  29,  30,
 &end
#
#   52 LYS  HN            4 SER  HA          7.00    (#    466:25  Preassigned    7.26, 7.37 A)
 &rst
  ixpk= 466, nxpk= 25, iat= 815,  36, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   66 LEU  HN            4 SER  HA          5.50    (#    467:25  Preassigned    3.82, 3.94 A)
 &rst
  ixpk= 467, nxpk= 25, iat=1034,  36, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:468     27 GLU  HA          5.50    (#    468:25  Single Ambig)
 &rst
  ixpk= 468, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 663, 628, 647,
 &end
#
#   28 VAL  HN           27 GLU  HA          3.50    (#    469:25  Preassigned    2.18, 2.20 A)
 &rst
  ixpk= 469, nxpk= 25, iat= 406, 393, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 GLU  HN           27 GLU  HA          5.50    (#    470:25  Preassigned    2.87, 2.88 A)
 &rst
  ixpk= 470, nxpk= 25, iat= 391, 393, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  HN           27 GLU  HA          7.00    (#    471:25  Preassigned    3.64, 3.68 A)
 &rst
  ixpk= 471, nxpk= 25, iat= 422, 393, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   41 VAL  HA           27 GLU  HA          3.50    (#    472:25  Preassigned    2.18, 2.28 A)
 &rst
  ixpk= 472, nxpk= 25, iat= 649, 393, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 GLU  HG+          27 GLU  HA          4.50    (#    473:25  Preassigned    2.49, 2.85 A)
 &rst
  ixpk= 473, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#   27 GLU  HB2          27 GLU  HA          4.50    (#    474:25  Preassigned    2.46, 2.47 A)
 &rst
  ixpk= 474, nxpk= 25, iat= 395, 393, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLU  HG-          27 GLU  HA          4.50    (#    475:25  Preassigned    2.49, 2.85 A)
 &rst
  ixpk= 475, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#    0 AMB  25-3:476     27 GLU  HA          5.50    (#    476:25  Single Ambig)
 &rst
  ixpk= 476, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 651, 621, 622,
 &end
#
#   28 VAL  QG2          27 GLU  HA          5.50    (#    477:25  Preassigned    3.80, 4.79 A)
 &rst
  ixpk= 477, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 416, 417, 418,
 &end
#
#   41 VAL  QG1          27 GLU  HA          4.50    (#    478:25  Preassigned    2.16, 3.19 A)
 &rst
  ixpk= 478, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 653, 654, 655,
 &end
#
#   28 VAL  QG1          27 GLU  HA          5.50    (#    479:25  Preassigned    4.02, 5.03 A)
 &rst
  ixpk= 479, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 412, 413, 414,
 &end
#
#    0 AMB  25-3:480     49 LYS  HA          5.50    (#    480:25  Single Ambig)
 &rst
  ixpk= 480, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 267, 748,
 &end
#
#   49 LYS  HB3          49 LYS  HA          4.50    (#    481:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 481, nxpk= 25, iat= 767, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:482     49 LYS  HA          5.50    (#    482:25  Single Ambig)
 &rst
  ixpk= 482, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 733, 734, 735, 752, 753, 754,
 &end
#
#   49 LYS  HN           49 LYS  HA          4.50    (#    483:25  Preassigned    2.94, 2.96 A)
 &rst
  ixpk= 483, nxpk= 25, iat= 762, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HN           49 LYS  HA          5.50    (#    484:25  Preassigned    3.62, 3.64 A)
 &rst
  ixpk= 484, nxpk= 25, iat= 784, 764, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HB2          49 LYS  HA          3.50    (#    485:25  Preassigned    2.45, 2.50 A)
 &rst
  ixpk= 485, nxpk= 25, iat= 766, 764, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HG+          49 LYS  HA          4.50    (#    486:25  Preassigned    2.49, 2.81 A)
 &rst
  ixpk= 486, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 769, 770,
 &end
#
#   49 LYS  HG-          49 LYS  HA          4.50    (#    487:25  Preassigned    2.49, 2.81 A)
 &rst
  ixpk= 487, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 769, 770,
 &end
#
#   19 GLY  HN           49 LYS  HA          5.50    (#    488:25  Preassigned    3.48, 3.67 A)
 &rst
  ixpk= 488, nxpk= 25, iat= 275, 764, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:490     49 LYS  HA          5.50    (#    490:25  Single Ambig)
 &rst
  ixpk= 490, nxpk= 25, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1058, 789,
 &end
#
#   73 GLN  HN           73 GLN  HA          5.50    (#    491:25  Preassigned    2.23, 2.84 A)
 &rst
  ixpk= 491, nxpk= 25, iat=1137,1139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 GLN  HB+          73 GLN  HA          5.50    (#    495:25  Preassigned    2.37, 2.70 A)
 &rst
  ixpk= 495, nxpk= 25, iat=  -1,1139, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1141,1142,
 &end
#
#   39 PRO  HB+          27 GLU  HA          5.50    (#    496:25  Preassigned    4.34, 5.07 A)
 &rst
  ixpk= 496, nxpk= 25, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 621, 622,
 &end
#
#   52 LYS  HN           52 LYS  HA          4.50    (#    497:25  Preassigned    2.90, 2.93 A)
 &rst
  ixpk= 497, nxpk= 25, iat= 815, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HN           52 LYS  HA          5.50    (#    498:25  Preassigned    3.26, 3.34 A)
 &rst
  ixpk= 498, nxpk= 25, iat= 837, 817, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HB3          52 LYS  HA          3.50    (#    499:25  Preassigned    2.42, 2.47 A)
 &rst
  ixpk= 499, nxpk= 25, iat= 820, 817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 GLU  HG-          52 LYS  HA          5.50    (#    500:25  Preassigned    3.22, 4.62 A)
 &rst
  ixpk= 500, nxpk= 25, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 791, 792,
 &end
#
#   52 LYS  HB2          52 LYS  HA          4.50    (#    501:25  Preassigned    3.04, 3.06 A)
 &rst
  ixpk= 501, nxpk= 25, iat= 819, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 LYS  QD           52 LYS  HA          3.50    (#    502:25  Preassigned    2.10, 2.75 A)
 &rst
  ixpk= 502, nxpk= 25, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 825, 826,
 &end
#
#   52 LYS  HG-          52 LYS  HA          4.50    (#    503:25  Preassigned    3.12, 3.51 A)
 &rst
  ixpk= 503, nxpk= 25, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 822, 823,
 &end
#
#   52 LYS  HE-          52 LYS  HA          5.50    (#    504:25  Preassigned    2.63, 4.40 A)
 &rst
  ixpk= 504, nxpk= 25, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 828, 829,
 &end
#
#    6 GLN  HN            6 GLN  HA          4.50    (#    505:25  Preassigned    2.97, 2.98 A)
 &rst
  ixpk= 505, nxpk= 25, iat=  64,  66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:506      6 GLN  HA          5.50    (#    506:25  Single Ambig)
 &rst
  ixpk= 506, nxpk= 25, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 982, 983,  39,  38,
 &end
#
#   61 GLU  HA            6 GLN  HA          5.50    (#    507:25  Preassigned    2.61, 2.75 A)
 &rst
  ixpk= 507, nxpk= 25, iat= 967,  66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HG+           6 GLN  HA          5.50    (#    508:25  Preassigned    3.75, 3.97 A)
 &rst
  ixpk= 508, nxpk= 25, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  72,
 &end
#
#   62 GLY  HN            6 GLN  HA          4.50    (#    509:25  Preassigned    2.82, 2.91 A)
 &rst
  ixpk= 509, nxpk= 25, iat= 980,  66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 MET  HN            6 GLN  HA          4.50    (#    510:25  Preassigned    3.25, 3.33 A)
 &rst
  ixpk= 510, nxpk= 25, iat=  81,  66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 ILE  HA            5 GLN  HA          5.50    (#    511:25  Preassigned    4.43, 4.47 A)
 &rst
  ixpk= 511, nxpk= 25, iat=  47,  66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HB2           6 GLN  HA          3.50    (#    512:25  Preassigned    2.37, 2.39 A)
 &rst
  ixpk= 512, nxpk= 25, iat=  68,  66, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 GLN  HB3           6 GLN  HA          3.50    (#    513:25  Preassigned    2.46, 2.49 A)
 &rst
  ixpk= 513, nxpk= 25, iat=  69,  66, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 BTL  HN           34 MET  HA          4.50    (#    514:25  Preassigned    2.57, 2.61 A)
 &rst
  ixpk= 514, nxpk= 25, iat= 513, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 MET  HG-          34 MET  HA          4.50    (#    515:25  Preassigned    2.41, 3.31 A)
 &rst
  ixpk= 515, nxpk= 25, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 503, 504,
 &end
#
#   37 GLU  HG+          37 GLU  HA          4.50    (#    516:25  Preassigned    2.59, 3.49 A)
 &rst
  ixpk= 516, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 587, 588,
 &end
#
#   38 ILE  HG1-         37 GLU  HA          5.50    (#    517:25  Preassigned    3.35, 4.21 A)
 &rst
  ixpk= 517, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   38 ILE  HN           37 GLU  HA          2.80    (#    518:25  Preassigned    2.17, 2.23 A)
 &rst
  ixpk= 518, nxpk= 25, iat= 595, 582, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   32 GLU  HA           37 GLU  HA          4.50    (#    519:25  Preassigned    2.86, 3.06 A)
 &rst
  ixpk= 519, nxpk= 25, iat= 472, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 GLU  QB           37 GLU  HA          3.50    (#    520:25  Preassigned    2.37, 2.57 A)
 &rst
  ixpk= 520, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 584, 585,
 &end
#
#   37 GLU  HG-          37 GLU  HA          4.50    (#    521:25  Preassigned    2.59, 3.49 A)
 &rst
  ixpk= 521, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 587, 588,
 &end
#
#   38 ILE  HG1+         37 GLU  HA          5.50    (#    522:25  Preassigned    3.35, 4.21 A)
 &rst
  ixpk= 522, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   30 ILE  QG2          37 GLU  HA          4.50    (#    523:25  Preassigned    3.94, 4.58 A)
 &rst
  ixpk= 523, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 438, 439, 440,
 &end
#
#   31 LEU  HB3          37 GLU  HA          5.50    (#    524:25  Preassigned    4.77, 5.10 A)
 &rst
  ixpk= 524, nxpk= 25, iat= 456, 582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  QD1          37 GLU  HA          5.50    (#    525:25  Preassigned    2.78, 5.99 A)
 &rst
  ixpk= 525, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#   65 LEU  HN           65 LEU  HA          5.50    (#    526:25  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 526, nxpk= 25, iat=1015,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HB2          65 LEU  HA          5.50    (#    527:25  Preassigned    2.77, 2.98 A)
 &rst
  ixpk= 527, nxpk= 25, iat= 819,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  QD+          65 LEU  HA          3.50    (#    528:25  Preassigned    2.25, 3.88 A)
 &rst
  ixpk= 528, nxpk= 25, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HN           65 LEU  HA          5.50    (#    529:25  Preassigned    3.62, 3.64 A)
 &rst
  ixpk= 529, nxpk= 25, iat=1034,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HN           65 LEU  HA          5.50    (#    530:25  Preassigned    3.39, 4.13 A)
 &rst
  ixpk= 530, nxpk= 25, iat= 837,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HB3          65 LEU  HA          4.50    (#    532:25  Preassigned    3.03, 3.04 A)
 &rst
  ixpk= 532, nxpk= 25, iat=1020,1017, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HG+          65 LEU  HA          4.50    (#    533:25  Preassigned    2.68, 2.96 A)
 &rst
  ixpk= 533, nxpk= 25, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 844, 845,
 &end
#
#    0 AMB  25-3:534     65 LEU  HA          4.50    (#    534:25  Single Ambig)
 &rst
  ixpk= 534, nxpk= 25, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1022,  55,  56,
 &end
#
#   65 LEU  HB2          65 LEU  HA          4.50    (#    535:25  Preassigned    2.41, 2.47 A)
 &rst
  ixpk= 535, nxpk= 25, iat=1019,1017, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HG-          65 LEU  HA          5.50    (#    536:25  Preassigned    2.68, 2.96 A)
 &rst
  ixpk= 536, nxpk= 25, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 844, 845,
 &end
#
#   65 LEU  QD-          65 LEU  HA          4.50    (#    537:25  Preassigned    2.25, 3.88 A)
 &rst
  ixpk= 537, nxpk= 25, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#   52 LYS  HN           65 LEU  HA          5.50    (#    538:25  Preassigned    3.58, 3.79 A)
 &rst
  ixpk= 538, nxpk= 25, iat= 815,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HA           26 GLN  HA          5.50    (#    539:25  Preassigned    4.44, 4.51 A)
 &rst
  ixpk= 539, nxpk= 25, iat= 393, 376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HB3          26 GLN  HA          4.50    (#    540:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 540, nxpk= 25, iat= 379, 376, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 BTL  HG+          34 MET  HA          5.50    (#    541:25  Preassigned    3.44, 4.36 A)
 &rst
  ixpk= 541, nxpk= 25, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 520, 521,
 &end
#
#   34 MET  HN           34 MET  HA          3.50    (#    542:25  Preassigned    2.23, 2.24 A)
 &rst
  ixpk= 542, nxpk= 25, iat= 496, 498, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 SER  HA           33 MET  HA          5.50    (#    543:25  Preassigned    4.40, 4.43 A)
 &rst
  ixpk= 543, nxpk= 25, iat= 487, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HA           34 MET  HA          5.50    (#    545:25  Preassigned    4.42, 4.49 A)
 &rst
  ixpk= 545, nxpk= 25, iat= 515, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 MET  QB           34 MET  HA          3.50    (#    546:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 546, nxpk= 25, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 500, 501,
 &end
#
#    0 AMB  25-3:547     34 MET  HA          5.50    (#    547:25  Single Ambig)
 &rst
  ixpk= 547, nxpk= 25, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 520, 521, 540,
 &end
#
#   34 MET  HG+          34 MET  HA          5.50    (#    548:25  Preassigned    2.41, 3.31 A)
 &rst
  ixpk= 548, nxpk= 25, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 503, 504,
 &end
#
#    0 AMB  25-3:550     37 GLU  HA          5.50    (#    550:25  Single Ambig)
 &rst
  ixpk= 550, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 615, 616, 515,
 &end
#
#   51 VAL  HN           50 GLU  HA          2.80    (#    552:25  Preassigned    2.26, 2.35 A)
 &rst
  ixpk= 552, nxpk= 25, iat= 799, 786, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   50 GLU  HN           50 GLU  HA          4.50    (#    553:25  Preassigned    2.90, 2.93 A)
 &rst
  ixpk= 553, nxpk= 25, iat= 784, 786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HG+          50 GLU  HA          4.50    (#    554:25  Preassigned    2.32, 2.86 A)
 &rst
  ixpk= 554, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 791, 792,
 &end
#
#   61 GLU  HG-           6 GLN  HA          5.50    (#    555:25  Preassigned    2.48, 3.26 A)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 972, 973,
 &end
#
#    0 AMB  25-3:556     50 GLU  HA          3.50    (#    556:25  Single Ambig)
 &rst
  ixpk= 556, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 791, 792, 788,
 &end
#
#   50 GLU  HB3          50 GLU  HA          4.50    (#    557:25  Preassigned    2.97, 3.04 A)
 &rst
  ixpk= 557, nxpk= 25, iat= 789, 786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ALA  QB           50 GLU  HA          4.50    (#    558:25  Preassigned    2.52, 3.71 A)
 &rst
  ixpk= 558, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 269, 270, 271,
 &end
#
#   48 VAL  QG1          50 GLU  HA          5.50    (#    559:25  Preassigned    3.21, 4.18 A)
 &rst
  ixpk= 559, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#   18 ALA  HA           50 GLU  HA          5.50    (#    560:25  Preassigned    3.21, 3.58 A)
 &rst
  ixpk= 560, nxpk= 25, iat= 267, 786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HN           11 LEU  HA          5.50    (#    561:25  Preassigned    3.54, 3.61 A)
 &rst
  ixpk= 561, nxpk= 25, iat= 470, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    11 ASN  HA           10 LEU  HA          5.50    (#    562:25  Preassigned    4.31, 4.32 A)
 &rst
  ixpk= 562, nxpk= 25, iat= 117, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:563     11 LEU  HA          5.50    (#    563:25  Single Ambig)
 &rst
  ixpk= 563, nxpk= 25, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 641, 642, 643,  58,  59,  60,
 &end
#
#   56 GLY  HN           11 LEU  HA          5.50    (#    564:25  Preassigned    4.34, 4.44 A)
 &rst
  ixpk= 564, nxpk= 25, iat= 896, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN           11 LEU  HA          4.50    (#    565:25  Preassigned    2.87, 2.88 A)
 &rst
  ixpk= 565, nxpk= 25, iat= 129, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HN           11 LEU  HA          3.50    (#    566:25  Preassigned    2.18, 2.40 A)
 &rst
  ixpk= 566, nxpk= 25, iat= 148, 131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN           11 LEU  HA          5.50    (#    567:25  Preassigned    3.78, 4.06 A)
 &rst
  ixpk= 567, nxpk= 25, iat= 172, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB2          11 LEU  HA          5.50    (#    569:25  Preassigned    4.61, 4.68 A)
 &rst
  ixpk= 569, nxpk= 25, iat= 152, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB3          11 LEU  HA          5.50    (#    570:25  Preassigned    4.19, 4.29 A)
 &rst
  ixpk= 570, nxpk= 25, iat= 153, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HB3          11 LEU  HA          4.50    (#    571:25  Preassigned    2.67, 3.01 A)
 &rst
  ixpk= 571, nxpk= 25, iat= 134, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HB2          11 LEU  HA          4.50    (#    572:25  Preassigned    2.55, 2.60 A)
 &rst
  ixpk= 572, nxpk= 25, iat= 133, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HG           11 LEU  HA          4.50    (#    573:25  Preassigned    2.87, 2.96 A)
 &rst
  ixpk= 573, nxpk= 25, iat= 136, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  QD+          11 LEU  HA          3.50    (#    574:25  Preassigned    2.14, 3.74 A)
 &rst
  ixpk= 574, nxpk= 25, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:575     11 LEU  HA          3.50    (#    575:25  Single Ambig)
 &rst
  ixpk= 575, nxpk= 25, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 138, 139, 140, 142, 143, 144, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466,
 &end
#
#   27 GLU  HN           26 GLN  HA          2.80    (#    577:25  Preassigned    2.25, 2.28 A)
 &rst
  ixpk= 577, nxpk= 25, iat= 391, 376, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 GLN  HN           26 GLN  HA          4.50    (#    578:25  Preassigned    2.91, 2.92 A)
 &rst
  ixpk= 578, nxpk= 25, iat= 374, 376, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HG+          26 GLN  HA          4.50    (#    579:25  Preassigned    2.51, 2.80 A)
 &rst
  ixpk= 579, nxpk= 25, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 381, 382,
 &end
#
#   26 GLN  HB2          26 GLN  HA          3.50    (#    580:25  Preassigned    2.51, 2.57 A)
 &rst
  ixpk= 580, nxpk= 25, iat= 378, 376, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 LEU  HN           67 GLU  HA          4.50    (#    581:25  Preassigned    2.18, 2.26 A)
 &rst
  ixpk= 581, nxpk= 25, iat=1068,1055, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 PHE  HN           57 ASP  HA          3.50    (#    582:25  Preassigned    2.36, 2.39 A)
 &rst
  ixpk= 582, nxpk= 25, iat= 915, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 ASP  HN           57 ASP  HA          4.50    (#    583:25  Preassigned    2.87, 2.89 A)
 &rst
  ixpk= 583, nxpk= 25, iat= 903, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 PHE  HB2          57 ASP  HA          5.50    (#    584:25  Preassigned    4.45, 4.52 A)
 &rst
  ixpk= 584, nxpk= 25, iat= 919, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HB3          57 ASP  HA          5.50    (#    585:25  Preassigned    4.60, 4.71 A)
 &rst
  ixpk= 585, nxpk= 25, iat= 920, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HB3          57 ASP  HA          4.50    (#    586:25  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 586, nxpk= 25, iat= 908, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 ASP  HB2          57 ASP  HA          3.50    (#    587:25  Preassigned    2.51, 2.55 A)
 &rst
  ixpk= 587, nxpk= 25, iat= 907, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 GLU  HB3          67 GLU  HA          5.50    (#    589:25  Preassigned    3.03, 3.05 A)
 &rst
  ixpk= 589, nxpk= 25, iat=1058,1055, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HN           21 GLN  HA          4.50    (#    590:25  Preassigned    2.18, 2.23 A)
 &rst
  ixpk= 590, nxpk= 25, iat= 311, 296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 GLN  HN           20 ASP  HA          2.80    (#    591:25  Preassigned    2.20, 2.35 A)
 &rst
  ixpk= 591, nxpk= 25, iat= 294, 284, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   20 ASP  HN           20 ASP  HA          4.50    (#    592:25  Preassigned    2.89, 2.91 A)
 &rst
  ixpk= 592, nxpk= 25, iat= 282, 284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HB3          20 ASP  HA          4.50    (#    593:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 593, nxpk= 25, iat= 287, 284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HB2          20 ASP  HA          3.50    (#    594:25  Preassigned    2.46, 2.50 A)
 &rst
  ixpk= 594, nxpk= 25, iat= 286, 284, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 VAL  HN           63 ASP  HA          2.80    (#    597:25  Preassigned    2.33, 2.36 A)
 &rst
  ixpk= 597, nxpk= 25, iat= 999, 989, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   64 VAL  HA           63 ASP  HA          5.50    (#    598:25  Preassigned    4.31, 4.33 A)
 &rst
  ixpk= 598, nxpk= 25, iat=1001, 989, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HB3          63 ASP  HA          4.50    (#    599:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 599, nxpk= 25, iat= 992, 989, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ASP  HB2          63 ASP  HA          4.50    (#    600:25  Preassigned    2.54, 2.56 A)
 &rst
  ixpk= 600, nxpk= 25, iat= 991, 989, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 VAL  QG2          63 ASP  HA          5.50    (#    601:25  Preassigned    3.97, 4.95 A)
 &rst
  ixpk= 601, nxpk= 25, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1009,1010,1011,
 &end
#
#    0 AMB  25-3:602     63 ASP  HA          5.50    (#    602:25  Single Ambig)
 &rst
  ixpk= 602, nxpk= 25, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1005,1006,1007, 941, 942, 943,
 &end
#
#   53 LYS  QE           63 ASP  HA          5.50    (#    603:25  Preassigned    5.11, 5.43 A)
 &rst
  ixpk= 603, nxpk= 25, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#   32 GLU  HN           32 GLU  HA          4.50    (#    604:25  Preassigned    2.94, 2.95 A)
 &rst
  ixpk= 604, nxpk= 25, iat= 470, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HB3          32 GLU  HA          4.50    (#    605:25  Unique         3.06, 3.06 A)
 &rst
  ixpk= 605, nxpk= 25, iat= 475, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HN           32 GLU  HA          2.80    (#    607:25  Preassigned    2.18, 2.21 A)
 &rst
  ixpk= 607, nxpk= 25, iat= 485, 472, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   37 GLU  HA           32 GLU  HA          4.50    (#    608:25  Preassigned    2.86, 3.06 A)
 &rst
  ixpk= 608, nxpk= 25, iat= 582, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HG+          32 GLU  HA          4.50    (#    609:25  Preassigned    2.64, 3.13 A)
 &rst
  ixpk= 609, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#   32 GLU  HG-          32 GLU  HA          4.50    (#    610:25  Preassigned    2.64, 3.13 A)
 &rst
  ixpk= 610, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#   32 GLU  HB2          32 GLU  HA          3.50    (#    611:25  Preassigned    2.41, 2.42 A)
 &rst
  ixpk= 611, nxpk= 25, iat= 474, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ILE  QG2          32 GLU  HA          5.50    (#    612:25  Preassigned    4.60, 5.48 A)
 &rst
  ixpk= 612, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   38 ILE  HN           32 GLU  HA          5.50    (#    613:25  Preassigned    3.94, 4.08 A)
 &rst
  ixpk= 613, nxpk= 25, iat= 595, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HN           32 GLU  HA          5.50    (#    614:25  Preassigned    4.14, 4.31 A)
 &rst
  ixpk= 614, nxpk= 25, iat= 563, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:615     20 ASP  HA          5.50    (#    615:25  Single Ambig)
 &rst
  ixpk= 615, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 750, 301, 302, 231,
 &end
#
#    0 AMB  25-3:616     20 ASP  HA          5.50    (#    616:25  Single Ambig)
 &rst
  ixpk= 616, nxpk= 25, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 733, 734, 735, 317, 318, 319,
 &end
#
#   61 GLU  HG+           7 MET  HA          5.50    (#    617:25  Preassigned    3.66, 4.61 A)
 &rst
  ixpk= 617, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 972, 973,
 &end
#
#    8 ALA  HN            7 MET  HA          2.80    (#    618:25  Preassigned    2.27, 2.34 A)
 &rst
  ixpk= 618, nxpk= 25, iat=  98,  83, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    7 MET  HN            7 MET  HA          4.50    (#    619:25  Preassigned    2.91, 2.93 A)
 &rst
  ixpk= 619, nxpk= 25, iat=  81,  83, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLU  HA            7 MET  HA          5.50    (#    620:25  Preassigned    3.55, 3.77 A)
 &rst
  ixpk= 620, nxpk= 25, iat= 967,  83, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  QG            7 MET  HA          5.50    (#    621:25  Preassigned    2.41, 3.35 A)
 &rst
  ixpk= 621, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  88,  89,
 &end
#
#    0 AMB  25-3:622      7 MET  HA          5.50    (#    622:25  Single Ambig)
 &rst
  ixpk= 622, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 972, 973,  92,  93,  94,
 &end
#
#    0 AMB  25-3:623      0 AMB  25-1:623    5.50    (#    623:25  Double Ambig)
 &rst
  ixpk= 623, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  51,  52,  53,  28,  29,  30,
 igr2=  83, 687,
 &end
#
#    9 GLY  HN            7 MET  HA          7.00    (#    624:25  Preassigned    6.00, 6.16 A)
 &rst
  ixpk= 624, nxpk= 25, iat= 108,  83, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    7 MET  HB-           7 MET  HA          3.50    (#    626:25  Preassigned    2.41, 2.80 A)
 &rst
  ixpk= 626, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  85,  86,
 &end
#
#    0 AMB  25-3:627     44 ARG  HA          5.50    (#    627:25  Single Ambig)
 &rst
  ixpk= 627, nxpk= 25, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 367, 673,
 &end
#
#    0 AMB  25-3:628      0 AMB  25-1:628    7.00    (#    628:25  Double Ambig)
 &rst
  ixpk= 628, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
 igr1= 714, 110, 111, 722, 723,
 igr2= 687,  83,
 &end
#
#   45 SER  HB2          44 ARG  HA          5.50    (#    629:25  Preassigned    4.76, 4.84 A)
 &rst
  ixpk= 629, nxpk= 25, iat= 713, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  QD           44 ARG  HA          5.50    (#    630:25  Preassigned    2.18, 4.37 A)
 &rst
  ixpk= 630, nxpk= 25, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 695, 696,
 &end
#
#   24 LYS  HB3          44 ARG  HA          4.50    (#    631:25  Preassigned    3.91, 4.29 A)
 &rst
  ixpk= 631, nxpk= 25, iat= 350, 687, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  HB2          44 ARG  HA          3.50    (#    632:25  Preassigned    2.21, 2.59 A)
 &rst
  ixpk= 632, nxpk= 25, iat= 349, 687, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 SER  HN           44 ARG  HA          2.80    (#    634:25  Preassigned    2.27, 2.35 A)
 &rst
  ixpk= 634, nxpk= 25, iat= 709, 687, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 ARG  HN           44 ARG  HA          4.50    (#    635:25  Preassigned    2.86, 2.90 A)
 &rst
  ixpk= 635, nxpk= 25, iat= 685, 687, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  QG           44 ARG  HA          4.50    (#    636:25  Preassigned    2.46, 3.78 A)
 &rst
  ixpk= 636, nxpk= 25, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 352, 353,
 &end
#
#   37 GLU  HN           36 MET  HA          2.80    (#    637:25  Preassigned    2.18, 2.43 A)
 &rst
  ixpk= 637, nxpk= 25, iat= 580, 565, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   36 MET  HN           36 MET  HA          4.50    (#    638:25  Preassigned    2.96, 2.98 A)
 &rst
  ixpk= 638, nxpk= 25, iat= 563, 565, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HG-          36 MET  HA          4.50    (#    639:25  Preassigned    2.51, 2.86 A)
 &rst
  ixpk= 639, nxpk= 25, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 570, 571,
 &end
#
#   36 MET  HB2          36 MET  HA          4.50    (#    640:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 640, nxpk= 25, iat= 567, 565, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HB3          36 MET  HA          3.50    (#    641:25  Preassigned    2.44, 2.44 A)
 &rst
  ixpk= 641, nxpk= 25, iat= 568, 565, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 HID  HN           17 LYS  HA          7.00    (#    642:25  Preassigned    7.05, 7.08 A)
 &rst
  ixpk= 642, nxpk= 25, iat= 210, 245, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   37 GLU  QB           36 MET  HA          5.50    (#    645:25  Preassigned    4.29, 4.95 A)
 &rst
  ixpk= 645, nxpk= 25, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 584, 585,
 &end
#
#   18 LYS  HA           17 ALA  HA          5.50    (#    646:25  Preassigned    4.42, 4.48 A)
 &rst
  ixpk= 646, nxpk= 25, iat= 245, 267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           68 LEU  HA          5.50    (#    649:25  Preassigned    3.85, 3.93 A)
 &rst
  ixpk= 649, nxpk= 25, iat= 784,1070, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  QB           68 LEU  HA          5.50    (#    650:25  Preassigned    4.51, 5.24 A)
 &rst
  ixpk= 650, nxpk= 25, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1091,1092,
 &end
#
#   49 LYS  HN           68 LEU  HA          4.50    (#    651:25  Preassigned    1.86, 2.02 A)
 &rst
  ixpk= 651, nxpk= 25, iat= 762,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  HN           68 LEU  HA          5.50    (#    652:25  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 652, nxpk= 25, iat=1068,1070, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HN           68 LEU  HA          2.80    (#    653:25  Preassigned    2.21, 2.27 A)
 &rst
  ixpk= 653, nxpk= 25, iat=1087,1070, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 VAL  HA           68 LEU  HA          4.50    (#    654:25  Preassigned    2.36, 2.46 A)
 &rst
  ixpk= 654, nxpk= 25, iat= 748,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  HB3          68 LEU  HA          4.50    (#    655:25  Preassigned    2.37, 2.40 A)
 &rst
  ixpk= 655, nxpk= 25, iat=1073,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  QD2          68 LEU  HA          3.50    (#    656:25  Preassigned    2.41, 3.16 A)
 &rst
  ixpk= 656, nxpk= 25, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1081,1082,1083,
 &end
#
#   19 GLY  HN           68 LEU  HA          7.00    (#    657:25  Preassigned    6.14, 6.30 A)
 &rst
  ixpk= 657, nxpk= 25, iat= 275,1070, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   68 LEU  HB2          68 LEU  HA          3.50    (#    659:25  Preassigned    3.01, 3.03 A)
 &rst
  ixpk= 659, nxpk= 25, iat=1072,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:660     68 LEU  HA          5.50    (#    660:25  Single Ambig)
 &rst
  ixpk= 660, nxpk= 25, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 752, 753, 754, 324, 325, 326,
 &end
#
#   18 ALA  HA           17 LYS  HA          5.50    (#    661:25  Preassigned    4.42, 4.48 A)
 &rst
  ixpk= 661, nxpk= 25, iat= 267, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  QG1          17 LYS  HA          5.50    (#    662:25  Preassigned    3.88, 4.95 A)
 &rst
  ixpk= 662, nxpk= 25, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#   17 LYS  HN           17 LYS  HA          4.50    (#    663:25  Preassigned    2.89, 2.91 A)
 &rst
  ixpk= 663, nxpk= 25, iat= 243, 245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ALA  HN           17 LYS  HA          2.80    (#    664:25  Preassigned    2.41, 2.43 A)
 &rst
  ixpk= 664, nxpk= 25, iat= 265, 245, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   17 VAL  HA           16 LYS  HA          5.50    (#    665:25  Preassigned    4.52, 4.54 A)
 &rst
  ixpk= 665, nxpk= 25, iat= 229, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  QB           17 LYS  HA          2.80    (#    666:25  Preassigned    2.37, 2.65 A)
 &rst
  ixpk= 666, nxpk= 25, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 247, 248,
 &end
#
#    0 AMB  25-3:667      0 AMB  25-1:667    2.80    (#    667:25  Double Ambig)
 &rst
  ixpk= 667, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 809, 810, 811, 204, 205, 206,
 igr2= 245, 861,
 &end
#
#   54 LYS  HN           54 LYS  HA          4.50    (#    668:25  Preassigned    2.89, 2.92 A)
 &rst
  ixpk= 668, nxpk= 25, iat= 859, 861, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 BTL  HA           35 MET  HA          5.50    (#    669:25  Preassigned    4.43, 4.55 A)
 &rst
  ixpk= 669, nxpk= 25, iat= 515, 565, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:670      0 AMB  25-1:670    5.50    (#    670:25  Double Ambig)
 &rst
  ixpk= 670, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 231, 888, 889,
 igr2= 245, 861,
 &end
#
#   17 LYS  HG+          17 LYS  HA          4.50    (#    671:25  Preassigned    2.54, 3.25 A)
 &rst
  ixpk= 671, nxpk= 25, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 250, 251,
 &end
#
#    0 AMB  25-3:672      0 AMB  25-1:672    4.50    (#    672:25  Double Ambig)
 &rst
  ixpk= 672, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 866, 867, 136, 269, 270, 271,
 igr2= 861, 245,
 &end
#
#    0 AMB  25-3:673      0 AMB  25-1:673    5.50    (#    673:25  Double Ambig)
 &rst
  ixpk= 673, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 200, 201, 202, 805, 806, 807,
 igr2= 861, 245,
 &end
#
#   11 LEU  QD-          54 LYS  HA          5.50    (#    674:25  Preassigned    3.61, 6.13 A)
 &rst
  ixpk= 674, nxpk= 25, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   55 GLU  HN           54 LYS  HA          2.80    (#    675:25  Preassigned    2.39, 2.43 A)
 &rst
  ixpk= 675, nxpk= 25, iat= 881, 861, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   55 GLU  HA           13 LYS  HA          5.50    (#    676:25  Preassigned    2.92, 3.10 A)
 &rst
  ixpk= 676, nxpk= 25, iat= 883, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           13 LYS  HA          4.50    (#    677:25  Preassigned    2.93, 2.94 A)
 &rst
  ixpk= 677, nxpk= 25, iat= 172, 174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HG+          13 LYS  HA          5.50    (#    678:25  Preassigned    2.33, 2.78 A)
 &rst
  ixpk= 678, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   14 VAL  HN           13 LYS  HA          2.80    (#    679:25  Preassigned    2.32, 2.35 A)
 &rst
  ixpk= 679, nxpk= 25, iat= 194, 174, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   14 VAL  HA           13 LYS  HA          5.50    (#    680:25  Preassigned    4.50, 4.51 A)
 &rst
  ixpk= 680, nxpk= 25, iat= 196, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HG+          13 LYS  HA          5.50    (#    681:25  Preassigned    2.28, 2.56 A)
 &rst
  ixpk= 681, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 888, 889,
 &end
#
#   13 LYS  HB3          13 LYS  HA          3.50    (#    682:25  Preassigned    2.48, 2.50 A)
 &rst
  ixpk= 682, nxpk= 25, iat= 177, 174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HB2          13 LYS  HA          4.50    (#    683:25  Preassigned    3.02, 3.04 A)
 &rst
  ixpk= 683, nxpk= 25, iat= 176, 174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HG-          13 LYS  HA          5.50    (#    684:25  Preassigned    2.33, 2.78 A)
 &rst
  ixpk= 684, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   20 ASP  HN           18 ALA  HA          5.50    (#    685:25  Preassigned    3.45, 3.54 A)
 &rst
  ixpk= 685, nxpk= 25, iat= 282, 267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  HB           18 ALA  HA          3.50    (#    686:25  Preassigned    2.83, 3.07 A)
 &rst
  ixpk= 686, nxpk= 25, iat= 750, 267, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  QG2          18 ALA  HA          5.50    (#    687:25  Preassigned    4.74, 5.35 A)
 &rst
  ixpk= 687, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#   19 GLY  HN           18 ALA  HA          2.80    (#    688:25  Preassigned    2.12, 2.18 A)
 &rst
  ixpk= 688, nxpk= 25, iat= 275, 267, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 ALA  HN           18 ALA  HA          4.50    (#    689:25  Preassigned    2.81, 2.84 A)
 &rst
  ixpk= 689, nxpk= 25, iat= 265, 267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:690     18 ALA  HA          5.50    (#    690:25  Single Ambig)
 &rst
  ixpk= 690, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 786, 277, 278,
 &end
#
#   18 ALA  QB           18 ALA  HA          2.80    (#    691:25  Preassigned    2.46, 2.66 A)
 &rst
  ixpk= 691, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 269, 270, 271,
 &end
#
#    0 AMB  25-3:692     18 ALA  HA          4.50    (#    692:25  Single Ambig)
 &rst
  ixpk= 692, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 809, 810, 811,1043,1044,1045,1047,1048,1049,1043,
      1044,1045,1047,1048,1049,
 &end
#
#   48 VAL  QG1          18 ALA  HA          3.50    (#    693:25  Preassigned    2.15, 3.20 A)
 &rst
  ixpk= 693, nxpk= 25, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 752, 753, 754,
 &end
#
#   52 LYS  HN           66 LEU  HA          4.50    (#    694:25  Preassigned    2.52, 2.72 A)
 &rst
  ixpk= 694, nxpk= 25, iat= 815,1036, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLU  HN           66 LEU  HA          2.80    (#    695:25  Preassigned    2.19, 2.26 A)
 &rst
  ixpk= 695, nxpk= 25, iat=1053,1036, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   51 VAL  HA           66 LEU  HA          3.50    (#    697:25  Preassigned    2.36, 2.47 A)
 &rst
  ixpk= 697, nxpk= 25, iat= 801,1036, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LEU  HB+          66 LEU  HA          3.50    (#    698:25  Preassigned    2.44, 2.86 A)
 &rst
  ixpk= 698, nxpk= 25, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1038,1039,
 &end
#
#   66 LEU  HB-          66 LEU  HA          3.50    (#    699:25  Preassigned    2.44, 2.86 A)
 &rst
  ixpk= 699, nxpk= 25, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1038,1039,
 &end
#
#   52 LYS  HG+          66 LEU  HA          5.50    (#    700:25  Preassigned    2.51, 3.59 A)
 &rst
  ixpk= 700, nxpk= 25, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   51 VAL  QG1          66 LEU  HA          5.50    (#    701:25  Unique         3.34, 4.66 A)
 &rst
  ixpk= 701, nxpk= 25, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 805, 806, 807,
 &end
#
#    0 AMB  25-3:702     66 LEU  HA          5.50    (#    702:25  Single Ambig)
 &rst
  ixpk= 702, nxpk= 25, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  28,  29,  30, 756, 757, 758,
 &end
#
#    0 AMB  25-3:703     66 LEU  HA          3.50    (#    703:25  Single Ambig)
 &rst
  ixpk= 703, nxpk= 25, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   66 LEU  HN           65 LEU  HA          5.50    (#    704:25  Preassigned    4.53, 4.59 A)
 &rst
  ixpk= 704, nxpk= 25, iat=1015,1036, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HN           66 LEU  HA          5.50    (#    705:25  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 705, nxpk= 25, iat=1034,1036, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           66 LEU  HA          5.50    (#    706:25  Preassigned    4.67, 4.76 A)
 &rst
  ixpk= 706, nxpk= 25, iat= 784,1036, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:707     66 LEU  HA          5.50    (#    707:25  Single Ambig)
 &rst
  ixpk= 707, nxpk= 25, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1057, 820,
 &end
#
#   48 VAL  QG1          66 LEU  HA          5.50    (#    708:25  Preassigned    4.18, 5.03 A)
 &rst
  ixpk= 708, nxpk= 25, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#   43 ASP  HN           42 ALA  HA          3.50    (#    709:25  Preassigned    2.12, 2.18 A)
 &rst
  ixpk= 709, nxpk= 25, iat= 673, 665, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ALA  HN           42 ALA  HA          4.50    (#    710:25  Preassigned    2.80, 2.83 A)
 &rst
  ixpk= 710, nxpk= 25, iat= 663, 665, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  HN           42 ALA  HA          5.50    (#    711:25  Preassigned    3.37, 3.49 A)
 &rst
  ixpk= 711, nxpk= 25, iat= 685, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 ALA  QB           42 ALA  HA          2.80    (#    713:25  Preassigned    2.44, 2.67 A)
 &rst
  ixpk= 713, nxpk= 25, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 667, 668, 669,
 &end
#
#    3 VAL  QG1          42 ALA  HA          4.50    (#    714:25  Preassigned    2.53, 3.95 A)
 &rst
  ixpk= 714, nxpk= 25, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  24,  25,  26,
 &end
#
#    3 VAL  QG2          42 ALA  HA          4.50    (#    715:25  Preassigned    2.88, 4.08 A)
 &rst
  ixpk= 715, nxpk= 25, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  28,  29,  30,
 &end
#
#    0 AMB  25-3:716     42 ALA  HA          5.50    (#    716:25  Single Ambig)
 &rst
  ixpk= 716, nxpk= 25, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#    0 AMB  25-3:717     42 ALA  HA          5.50    (#    717:25  Single Ambig)
 &rst
  ixpk= 717, nxpk= 25, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 412, 413, 414,1024,1025,1026,1028,1029,1030,
 &end
#
#   11 LEU  HB2           10 ASN  HA          5.50    (#    719:25  Preassigned    4.07, 4.11 A)
 &rst
  ixpk= 719, nxpk= 25, iat= 133, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLY  HN            10 ASN  HA          7.00    (#    720:25  Preassigned    5.62, 5.69 A)
 &rst
  ixpk= 720, nxpk= 25, iat= 896, 117, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   11 LEU  HN            10 ASN  HA          2.80    (#    721:25  Preassigned    2.18, 2.22 A)
 &rst
  ixpk= 721, nxpk= 25, iat= 129, 117, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 VAL  HN            10 ASN  HA          4.50    (#    722:25  Preassigned    3.05, 3.12 A)
 &rst
  ixpk= 722, nxpk= 25, iat= 935, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HD21          10 ASN  HA          5.50    (#    723:25  Preassigned    4.08, 4.11 A)
 &rst
  ixpk= 723, nxpk= 25, iat= 124, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HD            10 ASN  HA          5.50    (#    724:25  Preassigned    3.95, 5.36 A)
 &rst
  ixpk= 724, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 931,
 &end
#
#   58 PHE  HA            10 ASN  HA          3.50    (#    727:25  Preassigned    2.44, 2.48 A)
 &rst
  ixpk= 727, nxpk= 25, iat= 917, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    10 ASN  HB2           10 ASN  HA          4.50    (#    728:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 728, nxpk= 25, iat= 119, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HB3           10 ASN  HA          3.50    (#    729:25  Preassigned    2.48, 2.49 A)
 &rst
  ixpk= 729, nxpk= 25, iat= 120, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 VAL  QG2           10 ASN  HA          5.50    (#    730:25  Preassigned    2.37, 3.34 A)
 &rst
  ixpk= 730, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 945, 946, 947,
 &end
#
#   11 LEU  QD-           10 ASN  HA          5.50    (#    731:25  Preassigned    3.93, 6.68 A)
 &rst
  ixpk= 731, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   58 PHE  HB2           10 ASN  HA          5.50    (#    733:25  Preassigned    4.69, 4.76 A)
 &rst
  ixpk= 733, nxpk= 25, iat= 919, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HB2           10 ASN  HA          5.50    (#    734:25  Preassigned    4.07, 4.11 A)
 &rst
  ixpk= 734, nxpk= 25, iat= 133, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HN           29 ALA  HA          3.50    (#    735:25  Preassigned    2.49, 2.54 A)
 &rst
  ixpk= 735, nxpk= 25, iat= 432, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN           29 ALA  HA          5.50    (#    736:25  Preassigned    4.57, 4.60 A)
 &rst
  ixpk= 736, nxpk= 25, iat= 172, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  QB           29 ALA  HA          2.80    (#    737:25  Preassigned    2.44, 2.66 A)
 &rst
  ixpk= 737, nxpk= 25, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 426, 427, 428,
 &end
#
#    0 AMB  25-3:738     29 ALA  HA          5.50    (#    738:25  Single Ambig)
 &rst
  ixpk= 738, nxpk= 25, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1024,1025,1026,1028,1029,1030, 634, 635, 636, 412,
       413, 414,
 &end
#
#   15 HID  HN           29 ALA  HA          4.50    (#    739:25  Preassigned    3.16, 3.19 A)
 &rst
  ixpk= 739, nxpk= 25, iat= 210, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 ALA  HN           29 ALA  HA          4.50    (#    740:25  Preassigned    2.89, 2.90 A)
 &rst
  ixpk= 740, nxpk= 25, iat= 422, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HD2          29 ALA  HA          5.50    (#    741:25  Preassigned    2.21, 2.25 A)
 &rst
  ixpk= 741, nxpk= 25, iat= 223, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HA            0 AMB  25-1:742    5.50    (#    742:25  Single Ambig)
 &rst
  ixpk= 742, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 424, 615, 616,
 &end
#
#    0 AMB  25-3:744      0 AMB  25-1:744    5.50    (#    744:25  Double Ambig)
 &rst
  ixpk= 744, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 630, 131,
 igr2= 615, 616, 424,
 &end
#
#   55 GLU  HA           29 ALA  HA          7.00    (#    746:25  Preassigned    6.57, 6.71 A)
 &rst
  ixpk= 746, nxpk= 25, iat= 883, 424, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   31 LEU  HB2          39 PRO  HD+         5.50    (#    747:25  Unique         5.95, 6.20 A)
 &rst
  ixpk= 747, nxpk= 25, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:748      0 AMB  25-1:748    5.50    (#    748:25  Double Ambig)
 &rst
  ixpk= 748, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 200, 201, 202, 605, 606,
 igr2= 424, 615, 616,
 &end
#
#   30 ILE  QG2          39 PRO  HD+         5.50    (#    749:25  Preassigned    4.10, 5.72 A)
 &rst
  ixpk= 749, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 438, 439, 440,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:750      0 AMB  25-1:750    5.50    (#    750:25  Double Ambig)
 &rst
  ixpk= 750, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
 igr1= 176, 445, 446, 447, 233, 234, 235,
 igr2= 424, 615, 616,
 &end
#
#    0 AMB  25-3:751     29 ALA  HA          5.50    (#    751:25  Single Ambig)
 &rst
  ixpk= 751, nxpk= 25, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 205, 206, 237, 238, 239,
 &end
#
#    0 AMB  25-3:752     29 ALA  HA          5.50    (#    752:25  Single Ambig)
 &rst
  ixpk= 752, nxpk= 25, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 212, 649,
 &end
#
#   27 GLU  HA           29 ALA  HA          7.00    (#    753:25  Unique         6.08, 6.14 A)
 &rst
  ixpk= 753, nxpk= 25, iat= 393, 424, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   39 ILE  HA           38 PRO  HD+         2.80    (#    754:25  Preassigned    2.09, 2.40 A)
 &rst
  ixpk= 754, nxpk= 25, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 615, 616,
 &end
#
#   39 PRO  HB+          39 PRO  HD+         5.50    (#    757:25  Preassigned    2.89, 3.71 A)
 &rst
  ixpk= 757, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 621, 622,
 igr2= 615, 616,
 &end
#
#   39 PRO  HG-          39 PRO  HD+         4.50    (#    758:25  Preassigned    2.29, 2.60 A)
 &rst
  ixpk= 758, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 618, 619,
 igr2= 615, 616,
 &end
#
#   39 PRO  HG+          39 PRO  HD+         4.50    (#    759:25  Preassigned    2.29, 2.60 A)
 &rst
  ixpk= 759, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 618, 619,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:760      0 AMB  25-1:760    5.50    (#    760:25  Double Ambig)
 &rst
  ixpk= 760, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 584, 585, 599,
 igr2= 615, 616, 615, 616,
 &end
#
#   39 PRO  HB-          39 PRO  HD+         5.50    (#    761:25  Preassigned    2.89, 3.71 A)
 &rst
  ixpk= 761, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 621, 622,
 igr2= 615, 616,
 &end
#
#   39 ILE  QG2          38 PRO  HD+         5.50    (#    762:25  Preassigned    2.62, 4.13 A)
 &rst
  ixpk= 762, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 601, 602, 603,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:764     39 PRO  HD-         5.50    (#    764:25  Single Ambig)
 &rst
  ixpk= 764, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 605, 606, 442, 443,
 igr2= 615, 616,
 &end
#
#   39 ILE  HG1-         38 PRO  HD-         5.50    (#    765:25  Preassigned    4.52, 5.36 A)
 &rst
  ixpk= 765, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 605, 606,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:766     39 PRO  HD-         5.50    (#    766:25  Single Ambig)
 &rst
  ixpk= 766, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 438, 439, 440, 442, 443,
 igr2= 615, 616,
 &end
#
#   39 ILE  HA           38 PRO  HD-         3.50    (#    767:25  Preassigned    2.09, 2.40 A)
 &rst
  ixpk= 767, nxpk= 25, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 615, 616,
 &end
#
#   39 PRO  HB+          39 PRO  HD-         5.50    (#    770:25  Preassigned    2.89, 3.71 A)
 &rst
  ixpk= 770, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 621, 622,
 igr2= 615, 616,
 &end
#
#   39 PRO  HG-          39 PRO  HD-         4.50    (#    771:25  Preassigned    2.29, 2.60 A)
 &rst
  ixpk= 771, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 618, 619,
 igr2= 615, 616,
 &end
#
#   39 PRO  HG+          39 PRO  HD-         4.50    (#    772:25  Preassigned    2.29, 2.60 A)
 &rst
  ixpk= 772, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 618, 619,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:773     39 PRO  HD-         5.50    (#    773:25  Single Ambig)
 &rst
  ixpk= 773, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 584, 585, 599,
 igr2= 615, 616,
 &end
#
#   39 PRO  HB-          39 PRO  HD-         4.50    (#    774:25  Preassigned    2.89, 3.71 A)
 &rst
  ixpk= 774, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 621, 622,
 igr2= 615, 616,
 &end
#
#   39 ILE  QG2          38 PRO  HD-         4.50    (#    775:25  Preassigned    2.62, 4.13 A)
 &rst
  ixpk= 775, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 601, 602, 603,
 igr2= 615, 616,
 &end
#
#   39 ILE  QD1          38 PRO  HD-         5.50    (#    776:25  Preassigned    5.69, 6.90 A)
 &rst
  ixpk= 776, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 608, 609, 610,
 igr2= 615, 616,
 &end
#
#   61 GLU  HN            8 ALA  HA          5.50    (#    779:25  Preassigned    3.20, 3.28 A)
 &rst
  ixpk= 779, nxpk= 25, iat= 965, 100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:780      8 ALA  HA          5.50    (#    780:25  Single Ambig)
 &rst
  ixpk= 780, nxpk= 25, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 507, 508, 509, 939,
 &end
#
#    9 GLY  HN            8 ALA  HA          2.80    (#    781:25  Preassigned    2.21, 2.23 A)
 &rst
  ixpk= 781, nxpk= 25, iat= 108, 100, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 GLY  HA-           8 ALA  HA          5.50    (#    782:25  Preassigned    4.32, 4.42 A)
 &rst
  ixpk= 782, nxpk= 25, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#    8 ALA  QB            8 ALA  HA          2.80    (#    783:25  Preassigned    2.43, 2.65 A)
 &rst
  ixpk= 783, nxpk= 25, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 102, 103, 104,
 &end
#
#    5 ILE  QG2           8 ALA  HA          5.50    (#    784:25  Preassigned    4.71, 5.24 A)
 &rst
  ixpk= 784, nxpk= 25, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    8 ALA  HN            8 ALA  HA          4.50    (#    785:25  Preassigned    2.88, 2.90 A)
 &rst
  ixpk= 785, nxpk= 25, iat=  98, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 VAL  QG2           8 ALA  HA          5.50    (#    788:25  Preassigned    4.52, 5.76 A)
 &rst
  ixpk= 788, nxpk= 25, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 945, 946, 947,
 &end
#
#    0 AMB  25-3:789      8 ALA  HA          5.50    (#    789:25  Single Ambig)
 &rst
  ixpk= 789, nxpk= 25, iat=  -1, 100, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   38 ILE  QD1          31 LEU  HB3         5.50    (#    790:25  Preassigned    2.99, 4.47 A)
 &rst
  ixpk= 790, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#   38 ILE  HN           31 LEU  HB3         5.50    (#    791:25  Preassigned    4.00, 4.11 A)
 &rst
  ixpk= 791, nxpk= 25, iat= 595, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:793     31 LEU  HB2         5.50    (#    793:25  Single Ambig)
 &rst
  ixpk= 793, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 131, 630,
 &end
#
#   38 ILE  HG1-         31 LEU  HB3         5.50    (#    794:25  Preassigned    3.66, 4.69 A)
 &rst
  ixpk= 794, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   31 ILE  QG2          30 LEU  HB3         5.50    (#    795:25  Unique         5.14, 6.03 A)
 &rst
  ixpk= 795, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#    0 AMB  25-3:796     31 LEU  HB3         5.50    (#    796:25  Single Ambig)
 &rst
  ixpk= 796, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 641, 642, 643,  58,  59,  60,
 &end
#
#   32 GLU  HN           31 LEU  HB3         5.50    (#    797:25  Preassigned    3.13, 3.23 A)
 &rst
  ixpk= 797, nxpk= 25, iat= 470, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HN           31 LEU  HB3         4.50    (#    798:25  Preassigned    3.56, 3.57 A)
 &rst
  ixpk= 798, nxpk= 25, iat= 451, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ILE  HB           31 LEU  HB3         3.50    (#    799:25  Preassigned    3.52, 3.53 A)
 &rst
  ixpk= 799, nxpk= 25, iat= 599, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:801     31 LEU  HB3         5.50    (#    801:25  Single Ambig)
 &rst
  ixpk= 801, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  51,  52,  53, 601, 602, 603,
 &end
#
#    0 AMB  25-3:802     31 LEU  HB3         4.50    (#    802:25  Single Ambig)
 &rst
  ixpk= 802, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 458,
 &end
#
#    0 AMB  25-3:803     31 LEU  HB3         5.50    (#    803:25  Single Ambig)
 &rst
  ixpk= 803, nxpk= 25, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 582, 434,
 &end
#
#   32 GLU  HN           31 LEU  HB2         5.50    (#    804:25  Preassigned    4.09, 4.17 A)
 &rst
  ixpk= 804, nxpk= 25, iat= 470, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HG1-         31 LEU  HB2         5.50    (#    805:25  Preassigned    3.17, 4.02 A)
 &rst
  ixpk= 805, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   31 ILE  QG2          30 LEU  HB2         5.50    (#    806:25  Unique         4.33, 5.05 A)
 &rst
  ixpk= 806, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#    0 AMB  25-3:807     31 LEU  HB2         5.50    (#    807:25  Single Ambig)
 &rst
  ixpk= 807, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 601, 602, 603,  51,  52,  53,
 &end
#
#   31 LEU  HN           31 LEU  HB2         4.50    (#    808:25  Preassigned    2.29, 2.32 A)
 &rst
  ixpk= 808, nxpk= 25, iat= 451, 455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 ILE  QD1          31 LEU  HB2         4.50    (#    809:25  Preassigned    2.74, 4.21 A)
 &rst
  ixpk= 809, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 641, 642, 643,
 &end
#
#    0 AMB  25-3:810     31 LEU  HB2         3.50    (#    810:25  Single Ambig)
 &rst
  ixpk= 810, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 458,
 &end
#
#    0 AMB  25-3:811     31 LEU  HB2         5.50    (#    811:25  Single Ambig)
 &rst
  ixpk= 811, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 115, 148, 628,
 &end
#
#   38 ILE  HB           31 LEU  HB2         4.50    (#    813:25  Preassigned    2.07, 2.11 A)
 &rst
  ixpk= 813, nxpk= 25, iat= 599, 455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ILE  HG1-         31 LEU  HB2         5.50    (#    815:25  Preassigned    3.17, 4.02 A)
 &rst
  ixpk= 815, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#    0 AMB  25-3:816     31 LEU  HB2         5.50    (#    816:25  Single Ambig)
 &rst
  ixpk= 816, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 582, 434,
 &end
#
#   38 ILE  QD1          31 LEU  HB2         5.50    (#    817:25  Preassigned    2.88, 4.18 A)
 &rst
  ixpk= 817, nxpk= 25, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#    0 AMB  25-3:818      0 AMB  25-1:818    5.50    (#    818:25  Double Ambig)
 &rst
  ixpk= 818, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1087, 311,
 igr2= 722, 723, 722, 723,
 &end
#
#   68 LEU  HB2          46 GLY  HA+         5.50    (#    819:25  Preassigned    3.80, 5.04 A)
 &rst
  ixpk= 819, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#   68 LEU  HB3          46 GLY  HA+         5.50    (#    820:25  Preassigned    2.81, 3.84 A)
 &rst
  ixpk= 820, nxpk= 25, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#   68 LEU  QD1          46 GLY  HA+         5.50    (#    821:25  Preassigned    2.25, 4.66 A)
 &rst
  ixpk= 821, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1077,1078,1079,
 igr2= 722, 723,
 &end
#
#   47 ILE  HN           46 GLY  HA+         4.50    (#    822:25  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 822, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 722, 723,
 &end
#
#   46 GLY  HN           46 GLY  HA+         5.50    (#    823:25  Preassigned    2.65, 2.82 A)
 &rst
  ixpk= 823, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#    0 AMB  25-3:825      0 AMB  25-1:825    5.50    (#    825:25  Double Ambig)
 &rst
  ixpk= 825, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 737, 738,1072,
 igr2= 722, 723, 722, 723,
 &end
#
#   68 LEU  QD2          46 GLY  HA+         5.50    (#    826:25  Preassigned    3.69, 5.73 A)
 &rst
  ixpk= 826, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1081,1082,1083,
 igr2= 722, 723,
 &end
#
#   47 ILE  HN           46 GLY  HA+         4.50    (#    827:25  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 827, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 722, 723,
 &end
#
#   46 GLY  HN           46 GLY  HA+         5.50    (#    828:25  Preassigned    2.65, 2.82 A)
 &rst
  ixpk= 828, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#   46 SER  HA           45 GLY  HA+         5.50    (#    829:25  Preassigned    4.39, 4.53 A)
 &rst
  ixpk= 829, nxpk= 25, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#   48 VAL  HA           46 GLY  HA+         7.00    (#    831:25  Preassigned    5.41, 6.22 A)
 &rst
  ixpk= 831, nxpk= 25, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 722, 723,
 &end
#
#   68 LEU  HB3          46 GLY  HA+         5.50    (#    832:25  Preassigned    2.81, 3.84 A)
 &rst
  ixpk= 832, nxpk= 25, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#   68 LEU  QD1          46 GLY  HA+         5.50    (#    833:25  Preassigned    2.25, 4.66 A)
 &rst
  ixpk= 833, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1077,1078,1079,
 igr2= 722, 723,
 &end
#
#   68 LEU  QD2          46 GLY  HA+         5.50    (#    834:25  Preassigned    3.69, 5.73 A)
 &rst
  ixpk= 834, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1081,1082,1083,
 igr2= 722, 723,
 &end
#
#    0 AMB  25-3:836      0 AMB  25-1:836    5.50    (#    836:25  Double Ambig)
 &rst
  ixpk= 836, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 925, 929,  81,
 igr2= 110, 111, 110, 111,
 &end
#
#    10 ASN  HN            9 GLY  HA+         4.50    (#    837:25  Preassigned    2.21, 2.48 A)
 &rst
  ixpk= 837, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 110, 111,
 &end
#
#   33 SER  HB2           9 GLY  HA+         5.50    (#    838:25  Preassigned    4.61, 4.88 A)
 &rst
  ixpk= 838, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#   31 LEU  QD-           9 GLY  HA+         5.50    (#    839:25  Preassigned    2.42, 4.92 A)
 &rst
  ixpk= 839, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466,
 igr2= 110, 111,
 &end
#
#    10 ASN  HN            9 GLY  HA+         4.50    (#    841:25  Preassigned    2.21, 2.48 A)
 &rst
  ixpk= 841, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 110, 111,
 &end
#
#    9 GLY  HN            9 GLY  HA+         4.50    (#    842:25  Preassigned    2.81, 2.84 A)
 &rst
  ixpk= 842, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 110, 111,
 &end
#
#   58 PHE  HD            9 GLY  HA+         7.00    (#    843:25  Preassigned    5.06, 7.10 A)
 &rst
  ixpk= 843, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 923, 931,
 igr2= 110, 111,
 &end
#
#    9 ALA  HA            8 GLY  HA+         5.50    (#    844:25  Preassigned    4.32, 4.42 A)
 &rst
  ixpk= 844, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#   33 SER  HB2           9 GLY  HA+         5.50    (#    845:25  Preassigned    4.61, 4.88 A)
 &rst
  ixpk= 845, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    0 AMB  25-3:846      0 AMB  25-1:846    5.50    (#    846:25  Double Ambig)
 &rst
  ixpk= 846, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
 igr1= 737, 738, 692, 693, 102, 103, 104,
 igr2= 722, 723, 110, 111,
 &end
#
#    0 AMB  25-3:847      0 AMB  25-1:847    5.50    (#    847:25  Double Ambig)
 &rst
  ixpk= 847, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 692, 693, 455,
 igr2= 722, 723, 110, 111,
 &end
#
#    0 AMB  25-3:848      0 AMB  25-1:848    4.50    (#    848:25  Double Ambig)
 &rst
  ixpk= 848, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2= 110, 111, 110, 111,
 &end
#
#   46 GLY  HN           46 GLY  HA-         5.50    (#    849:25  Preassigned    2.65, 2.82 A)
 &rst
  ixpk= 849, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#    0 AMB  25-3:851     46 GLY  HA-         5.50    (#    851:25  Single Ambig)
 &rst
  ixpk= 851, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 729, 711, 296,
 igr2= 722, 723,
 &end
#
#   47 ILE  HN           46 GLY  HA-         4.50    (#    852:25  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 852, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 722, 723,
 &end
#
#   68 LEU  HB3          46 GLY  HA-         5.50    (#    854:25  Preassigned    2.81, 3.84 A)
 &rst
  ixpk= 854, nxpk= 25, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#   68 LEU  HB2          46 GLY  HA-         5.50    (#    855:25  Preassigned    3.80, 5.04 A)
 &rst
  ixpk= 855, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#   47 ILE  HN           46 GLY  HA-         4.50    (#    856:25  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 856, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 722, 723,
 &end
#
#    0 AMB  25-3:858      0 AMB  25-1:858    5.50    (#    858:25  Double Ambig)
 &rst
  ixpk= 858, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 945, 946, 947, 324, 325, 326,
 igr2= 110, 111, 722, 723,
 &end
#
#   46 GLY  HN           46 GLY  HA-         5.50    (#    859:25  Preassigned    2.65, 2.82 A)
 &rst
  ixpk= 859, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#    0 AMB  25-3:861     46 GLY  HA-         5.50    (#    861:25  Single Ambig)
 &rst
  ixpk= 861, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 729, 711, 296,
 igr2= 722, 723,
 &end
#
#   68 LEU  HB3          46 GLY  HA-         5.50    (#    862:25  Preassigned    2.81, 3.84 A)
 &rst
  ixpk= 862, nxpk= 25, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 723,
 &end
#
#    9 ALA  QB            8 GLY  HA-         5.50    (#    863:25  Preassigned    4.32, 5.24 A)
 &rst
  ixpk= 863, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 102, 103, 104,
 igr2= 110, 111,
 &end
#
#    9 GLY  HN            9 GLY  HA-         5.50    (#    864:25  Preassigned    2.81, 2.84 A)
 &rst
  ixpk= 864, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    0 AMB  25-3:865      9 GLY  HA-         5.50    (#    865:25  Single Ambig)
 &rst
  ixpk= 865, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 925, 929,  81,
 igr2= 110, 111,
 &end
#
#    9 ALA  HA            8 GLY  HA-         5.50    (#    866:25  Preassigned    4.32, 4.42 A)
 &rst
  ixpk= 866, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#   33 SER  HB2           9 GLY  HA-         5.50    (#    867:25  Preassigned    4.61, 4.88 A)
 &rst
  ixpk= 867, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#   31 LEU  HB2           9 GLY  HA-         5.50    (#    868:25  Preassigned    4.94, 5.87 A)
 &rst
  ixpk= 868, nxpk= 25, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    0 AMB  25-3:869      9 GLY  HA-         4.50    (#    869:25  Single Ambig)
 &rst
  ixpk= 869, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2= 110, 111,
 &end
#
#    10 ASN  HN            9 GLY  HA-         4.50    (#    870:25  Preassigned    2.21, 2.48 A)
 &rst
  ixpk= 870, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 110, 111,
 &end
#
#    9 ALA  QB            8 GLY  HA-         5.50    (#    871:25  Preassigned    4.32, 5.24 A)
 &rst
  ixpk= 871, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 102, 103, 104,
 igr2= 110, 111,
 &end
#
#   59 VAL  QG2           9 GLY  HA-         5.50    (#    872:25  Preassigned    3.32, 4.72 A)
 &rst
  ixpk= 872, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947,
 igr2= 110, 111,
 &end
#
#    10 ASN  HN            9 GLY  HA-         4.50    (#    873:25  Preassigned    2.21, 2.48 A)
 &rst
  ixpk= 873, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 110, 111,
 &end
#
#    9 GLY  HN            9 GLY  HA-         5.50    (#    874:25  Preassigned    2.81, 2.84 A)
 &rst
  ixpk= 874, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    0 AMB  25-3:875      9 GLY  HA-         5.50    (#    875:25  Single Ambig)
 &rst
  ixpk= 875, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 925, 929,  81,
 igr2= 110, 111,
 &end
#
#   57 ASP  HN           56 GLY  HA+         5.50    (#    876:25  Preassigned    3.28, 3.39 A)
 &rst
  ixpk= 876, nxpk= 25, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 898, 899,
 &end
#
#   63 ASP  HN           62 GLY  HA+         5.50    (#    877:25  Preassigned    3.30, 3.39 A)
 &rst
  ixpk= 877, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 982, 983,
 &end
#
#   26 GLN  HN           25 GLY  HA+         5.50    (#    878:25  Preassigned    3.36, 3.40 A)
 &rst
  ixpk= 878, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 369, 370,
 &end
#
#   41 VAL  QG1          25 GLY  HA+         5.50    (#    881:25  Preassigned    3.42, 4.94 A)
 &rst
  ixpk= 881, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 653, 654, 655,
 igr2= 369, 370,
 &end
#
#   41 VAL  HB           25 GLY  HA+         5.50    (#    882:25  Preassigned    2.34, 3.22 A)
 &rst
  ixpk= 882, nxpk= 25, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 369, 370,
 &end
#
#   25 GLY  HN           25 GLY  HA+         4.50    (#    883:25  Preassigned    2.31, 2.63 A)
 &rst
  ixpk= 883, nxpk= 25, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 369, 370,
 &end
#
#   63 ASP  HN           62 GLY  HA+         5.50    (#    884:25  Preassigned    3.30, 3.39 A)
 &rst
  ixpk= 884, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 982, 983,
 &end
#
#   62 GLY  HN           62 GLY  HA+         4.50    (#    885:25  Preassigned    2.27, 2.61 A)
 &rst
  ixpk= 885, nxpk= 25, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 982, 983,
 &end
#
#   62 GLU  HB3          61 GLY  HA+         5.50    (#    886:25  Preassigned    4.87, 5.35 A)
 &rst
  ixpk= 886, nxpk= 25, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 982, 983,
 &end
#
#   64 VAL  QG1          62 GLY  HA+         5.50    (#    888:25  Preassigned    6.34, 7.42 A)
 &rst
  ixpk= 888, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1005,1006,1007,
 igr2= 982, 983,
 &end
#
#   57 ASP  HN           56 GLY  HA-         5.50    (#    889:25  Preassigned    3.28, 3.39 A)
 &rst
  ixpk= 889, nxpk= 25, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 898, 899,
 &end
#
#   56 GLU  HA           55 GLY  HA-         5.50    (#    890:25  Preassigned    4.29, 4.37 A)
 &rst
  ixpk= 890, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 898, 899,
 &end
#
#   56 GLU  HA           55 GLY  HA-         5.50    (#    892:25  Preassigned    4.29, 4.37 A)
 &rst
  ixpk= 892, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 898, 899,
 &end
#
#   63 ASP  HN           62 GLY  HA-         5.50    (#    893:25  Preassigned    3.30, 3.39 A)
 &rst
  ixpk= 893, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 982, 983,
 &end
#
#   62 GLY  HN           62 GLY  HA-         4.50    (#    894:25  Preassigned    2.27, 2.61 A)
 &rst
  ixpk= 894, nxpk= 25, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 982, 983,
 &end
#
#    4 SER  HN           62 GLY  HA-         7.00    (#    896:25  Preassigned    6.20, 7.32 A)
 &rst
  ixpk= 896, nxpk= 25, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 982, 983,
 &end
#
#   62 GLY  HN           62 GLY  HA-         4.50    (#    897:25  Preassigned    2.27, 2.61 A)
 &rst
  ixpk= 897, nxpk= 25, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 982, 983,
 &end
#
#   63 ASP  HN           62 GLY  HA-         5.50    (#    898:25  Preassigned    3.30, 3.39 A)
 &rst
  ixpk= 898, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 982, 983,
 &end
#
#   25 LYS  QG           24 GLY  HA-         5.50    (#    899:25  Preassigned    3.63, 4.43 A)
 &rst
  ixpk= 899, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 352, 353,
 igr2= 369, 370,
 &end
#
#   41 VAL  QG1          25 GLY  HA-         4.50    (#    900:25  Preassigned    3.42, 4.94 A)
 &rst
  ixpk= 900, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 653, 654, 655,
 igr2= 369, 370,
 &end
#
#   41 VAL  HB           25 GLY  HA-         5.50    (#    901:25  Preassigned    2.34, 3.22 A)
 &rst
  ixpk= 901, nxpk= 25, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 369, 370,
 &end
#
#   25 LYS  QG           24 GLY  HA-         5.50    (#    902:25  Preassigned    3.63, 4.43 A)
 &rst
  ixpk= 902, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 352, 353,
 igr2= 369, 370,
 &end
#
#   48 VAL  HN           19 GLY  HA-         5.50    (#    904:25  Preassigned    4.34, 5.14 A)
 &rst
  ixpk= 904, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 277, 278,
 &end
#
#   25 GLY  HN           25 GLY  HA-         3.50    (#    905:25  Preassigned    2.31, 2.63 A)
 &rst
  ixpk= 905, nxpk= 25, iat= 367,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 369, 370,
 &end
#
#   26 GLN  HN           25 GLY  HA-         5.50    (#    906:25  Preassigned    3.36, 3.40 A)
 &rst
  ixpk= 906, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 369, 370,
 &end
#
#   41 VAL  QG1          25 GLY  HA-         4.50    (#    907:25  Preassigned    3.42, 4.94 A)
 &rst
  ixpk= 907, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 653, 654, 655,
 igr2= 369, 370,
 &end
#
#   66 LEU  HN           66 LEU  HB+         5.50    (#    909:25  Preassigned    2.47, 3.02 A)
 &rst
  ixpk= 909, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#    3 VAL  QG2          66 LEU  HB+         5.50    (#    910:25  Preassigned    2.37, 3.66 A)
 &rst
  ixpk= 910, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  28,  29,  30,
 igr2=1038,1039,
 &end
#
#   68 LEU  QD2          66 LEU  HB+         5.50    (#    911:25  Preassigned    2.42, 4.20 A)
 &rst
  ixpk= 911, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1081,1082,1083,
 igr2=1038,1039,
 &end
#
#   67 GLU  HN           66 LEU  HB+         5.50    (#    912:25  Preassigned    2.41, 3.65 A)
 &rst
  ixpk= 912, nxpk= 25, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#   66 LEU  HA           66 LEU  HB+         4.50    (#    913:25  Preassigned    2.44, 2.86 A)
 &rst
  ixpk= 913, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1038,1039,
 &end
#
#   51 VAL  HA           66 LEU  HB+         5.50    (#    914:25  Preassigned    3.84, 4.89 A)
 &rst
  ixpk= 914, nxpk= 25, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#    0 AMB  25-3:916      0 AMB  25-1:916    5.50    (#    916:25  Double Ambig)
 &rst
  ixpk= 916, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  24,  25,  26, 233, 234, 235,
 igr2=1038,1039,1038,1039,
 &end
#
#    0 AMB  25-3:917      0 AMB  25-1:917    3.50    (#    917:25  Double Ambig)
 &rst
  ixpk= 917, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 igr2=1038,1039,1038,1039,
 &end
#
#    0 AMB  25-3:918      0 AMB  25-1:918    4.50    (#    918:25  Double Ambig)
 &rst
  ixpk= 918, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 752, 753, 754, 324, 325, 326,
 igr2=1038,1039,1038,1039,
 &end
#
#    3 VAL  HB           66 LEU  HB-         4.50    (#    919:25  Preassigned    2.05, 2.72 A)
 &rst
  ixpk= 919, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1038,1039,
 &end
#
#    0 AMB  25-3:920     66 LEU  HB-         5.50    (#    920:25  Single Ambig)
 &rst
  ixpk= 920, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  24,  25,  26, 233, 234, 235,
 igr2=1038,1039,
 &end
#
#   48 VAL  QG1          66 LEU  HB-         5.50    (#    921:25  Preassigned    2.70, 5.75 A)
 &rst
  ixpk= 921, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 752, 753, 754,
 igr2=1038,1039,
 &end
#
#   67 GLU  HN           66 LEU  HB-         5.50    (#    922:25  Preassigned    2.41, 3.65 A)
 &rst
  ixpk= 922, nxpk= 25, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#   66 LEU  HA           66 LEU  HB-         4.50    (#    923:25  Preassigned    2.44, 2.86 A)
 &rst
  ixpk= 923, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1038,1039,
 &end
#
#   51 VAL  HA           66 LEU  HB-         5.50    (#    924:25  Preassigned    3.84, 4.89 A)
 &rst
  ixpk= 924, nxpk= 25, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#    0 AMB  25-3:926     66 LEU  HB-         3.50    (#    926:25  Single Ambig)
 &rst
  ixpk= 926, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 igr2=1038,1039,
 &end
#
#   68 LEU  QD2          66 LEU  HB-         5.50    (#    927:25  Preassigned    2.42, 4.20 A)
 &rst
  ixpk= 927, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1081,1082,1083,
 igr2=1038,1039,
 &end
#
#   57 ASP  HN           56 GLY  HA+         5.50    (#    928:25  Preassigned    3.28, 3.39 A)
 &rst
  ixpk= 928, nxpk= 25, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 898, 899,
 &end
#
#    0 AMB  25-3:930      0 AMB  25-1:930    3.50    (#    930:25  Double Ambig)
 &rst
  ixpk= 930, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 896, 275,
 igr2= 898, 899, 277, 278,
 &end
#
#   19 ALA  QB           18 GLY  HA+         5.50    (#    931:25  Preassigned    4.32, 5.25 A)
 &rst
  ixpk= 931, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 269, 270, 271,
 igr2= 277, 278,
 &end
#
#   20 ASP  HN           19 GLY  HA+         5.50    (#    932:25  Preassigned    3.03, 3.39 A)
 &rst
  ixpk= 932, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 277, 278,
 &end
#
#   47 ILE  QG2          19 GLY  HA+         5.50    (#    934:25  Preassigned    2.73, 3.97 A)
 &rst
  ixpk= 934, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 733, 734, 735,
 igr2= 277, 278,
 &end
#
#   20 ASP  HN           19 GLY  HA+         5.50    (#    935:25  Preassigned    3.03, 3.39 A)
 &rst
  ixpk= 935, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 277, 278,
 &end
#
#   47 ILE  QG2          19 GLY  HA+         5.50    (#    936:25  Preassigned    2.73, 3.97 A)
 &rst
  ixpk= 936, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 733, 734, 735,
 igr2= 277, 278,
 &end
#
#   19 ALA  QB           18 GLY  HA+         5.50    (#    937:25  Preassigned    4.32, 5.25 A)
 &rst
  ixpk= 937, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 269, 270, 271,
 igr2= 277, 278,
 &end
#
#   56 GLY  HN           56 GLY  HA-         3.50    (#    938:25  Preassigned    2.27, 2.61 A)
 &rst
  ixpk= 938, nxpk= 25, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 898, 899,
 &end
#
#   57 ASP  HN           56 GLY  HA-         5.50    (#    940:25  Preassigned    3.28, 3.39 A)
 &rst
  ixpk= 940, nxpk= 25, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 898, 899,
 &end
#
#   20 ASP  HN           19 GLY  HA-         5.50    (#    941:25  Preassigned    3.03, 3.39 A)
 &rst
  ixpk= 941, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 277, 278,
 &end
#
#   47 ILE  QG2          19 GLY  HA-         4.50    (#    943:25  Preassigned    2.73, 3.97 A)
 &rst
  ixpk= 943, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 733, 734, 735,
 igr2= 277, 278,
 &end
#
#   19 ALA  QB           18 GLY  HA-         5.50    (#    944:25  Preassigned    4.32, 5.25 A)
 &rst
  ixpk= 944, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 269, 270, 271,
 igr2= 277, 278,
 &end
#
#   19 GLY  HN           19 GLY  HA-         3.50    (#    945:25  Preassigned    2.28, 2.61 A)
 &rst
  ixpk= 945, nxpk= 25, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 277, 278,
 &end
#
#   51 VAL  QG1          66 LEU  HB+         5.50    (#    946:25  Unique         4.43, 6.29 A)
 &rst
  ixpk= 946, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 805, 806, 807,
 igr2=1038,1039,
 &end
#
#   66 LEU  HN           66 LEU  HB+         5.50    (#    947:25  Preassigned    2.47, 3.02 A)
 &rst
  ixpk= 947, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#    3 VAL  QG2          66 LEU  HB-         5.50    (#    948:25  Preassigned    2.37, 3.66 A)
 &rst
  ixpk= 948, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  28,  29,  30,
 igr2=1038,1039,
 &end
#
#   51 VAL  QG1          66 LEU  HB-         5.50    (#    949:25  Unique         4.43, 6.29 A)
 &rst
  ixpk= 949, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 805, 806, 807,
 igr2=1038,1039,
 &end
#
#   68 LEU  QD2          66 LEU  HB-         5.50    (#    950:25  Preassigned    2.42, 4.20 A)
 &rst
  ixpk= 950, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1081,1082,1083,
 igr2=1038,1039,
 &end
#
#   68 LEU  HN           68 LEU  HB3         5.50    (#    951:25  Preassigned    3.76, 3.80 A)
 &rst
  ixpk= 951, nxpk= 25, iat=1068,1073, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HN           68 LEU  HB3         5.50    (#    952:25  Preassigned    2.36, 2.88 A)
 &rst
  ixpk= 952, nxpk= 25, iat=1087,1073, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 LEU  QD1          68 LEU  HB3         4.50    (#    954:25  Preassigned    2.46, 3.09 A)
 &rst
  ixpk= 954, nxpk= 25, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1077,1078,1079,
 &end
#
#   68 LEU  HA           68 LEU  HB3         4.50    (#    955:25  Preassigned    2.37, 2.40 A)
 &rst
  ixpk= 955, nxpk= 25, iat=1070,1073, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 SER  HN           68 LEU  HB2         4.50    (#    957:25  Preassigned    3.41, 3.81 A)
 &rst
  ixpk= 957, nxpk= 25, iat=1087,1072, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  HN           68 LEU  HB2         5.50    (#    958:25  Preassigned    2.64, 2.71 A)
 &rst
  ixpk= 958, nxpk= 25, iat=1068,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:959     68 LEU  HB2         5.50    (#    959:25  Single Ambig)
 &rst
  ixpk= 959, nxpk= 25, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727,1053,
 &end
#
#   68 LEU  HA           68 LEU  HB2         4.50    (#    960:25  Preassigned    3.01, 3.03 A)
 &rst
  ixpk= 960, nxpk= 25, iat=1070,1072, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  QD1          68 LEU  HB2         4.50    (#    963:25  Preassigned    2.41, 3.08 A)
 &rst
  ixpk= 963, nxpk= 25, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1077,1078,1079,
 &end
#
#   68 LEU  QD2          68 LEU  HB2         4.50    (#    964:25  Preassigned    3.75, 3.95 A)
 &rst
  ixpk= 964, nxpk= 25, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1081,1082,1083,
 &end
#
#   65 LEU  HN           65 LEU  HB3         4.50    (#    965:25  Preassigned    2.57, 2.67 A)
 &rst
  ixpk= 965, nxpk= 25, iat=1015,1020, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HN           65 LEU  HB3         4.50    (#    966:25  Preassigned    2.41, 2.61 A)
 &rst
  ixpk= 966, nxpk= 25, iat=1034,1020, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 VAL  HB           65 LEU  HB3         5.50    (#    967:25  Preassigned    2.71, 2.97 A)
 &rst
  ixpk= 967, nxpk= 25, iat=  22,1020, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HG           65 LEU  HB3         3.50    (#    968:25  Preassigned    2.47, 2.57 A)
 &rst
  ixpk= 968, nxpk= 25, iat=1022,1020, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 VAL  QG1          65 LEU  HB3         5.50    (#    970:25  Preassigned    2.86, 4.35 A)
 &rst
  ixpk= 970, nxpk= 25, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  24,  25,  26,
 &end
#
#    0 AMB  25-3:971     65 LEU  HB3         4.50    (#    971:25  Single Ambig)
 &rst
  ixpk= 971, nxpk= 25, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1024,1025,1026,1028,1029,1030,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   65 LEU  QD-          65 LEU  HB3         3.50    (#    972:25  Preassigned    2.39, 3.46 A)
 &rst
  ixpk= 972, nxpk= 25, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#   65 LEU  HA           65 LEU  HB3         5.50    (#    973:25  Preassigned    3.03, 3.04 A)
 &rst
  ixpk= 973, nxpk= 25, iat=1017,1020, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:974     65 LEU  HB3         7.00    (#    974:25  Single Ambig)
 &rst
  ixpk= 974, nxpk= 25, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 844, 845, 805, 806, 807,
 &end
#
#    5 ILE  HG1+         65 LEU  HB3         5.50    (#    975:25  Preassigned    3.72, 4.65 A)
 &rst
  ixpk= 975, nxpk= 25, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#    5 ILE  HB           65 LEU  HB2         5.50    (#    976:25  Preassigned    4.16, 4.61 A)
 &rst
  ixpk= 976, nxpk= 25, iat=  49,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:977     65 LEU  HB2         5.50    (#    977:25  Single Ambig)
 &rst
  ixpk= 977, nxpk= 25, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 138, 139, 140, 142, 143, 144, 458,
 &end
#
#    0 AMB  25-3:979     65 LEU  HB2         3.50    (#    979:25  Single Ambig)
 &rst
  ixpk= 979, nxpk= 25, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  55,  56,1022,
 &end
#
#    0 AMB  25-3:981     65 LEU  HB2         3.50    (#    981:25  Single Ambig)
 &rst
  ixpk= 981, nxpk= 25, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  58,  59,  60,1024,1025,1026,1028,1029,1030,
 &end
#
#   65 LEU  HN           65 LEU  HB2         5.50    (#    982:25  Preassigned    2.83, 3.19 A)
 &rst
  ixpk= 982, nxpk= 25, iat=1015,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HA           65 LEU  HB2         4.50    (#    983:25  Preassigned    2.41, 2.47 A)
 &rst
  ixpk= 983, nxpk= 25, iat=1017,1019, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:984     65 LEU  HB2         5.50    (#    984:25  Single Ambig)
 &rst
  ixpk= 984, nxpk= 25, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 844, 845, 805, 806, 807,
 &end
#
#   65 LEU  QD+          65 LEU  HB2         4.50    (#    985:25  Preassigned    2.37, 3.30 A)
 &rst
  ixpk= 985, nxpk= 25, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HN           65 LEU  HB2         5.50    (#    986:25  Preassigned    3.63, 3.93 A)
 &rst
  ixpk= 986, nxpk= 25, iat=1034,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 SER  HN           44 ARG  QD          5.50    (#    987:25  Unique         3.91, 5.69 A)
 &rst
  ixpk= 987, nxpk= 25, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 695, 696,
 &end
#
#   44 ARG  HA           44 ARG  QD          5.50    (#    988:25  Unique         2.18, 4.37 A)
 &rst
  ixpk= 988, nxpk= 25, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 695, 696,
 &end
#
#   24 LYS  QE           44 ARG  QD          5.50    (#    991:25  Preassigned    4.10, 6.97 A)
 &rst
  ixpk= 991, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 358, 359,
 igr2= 695, 696,
 &end
#
#   44 ASP  HB2          43 ARG  QD          5.50    (#    992:25  Preassigned    3.83, 5.35 A)
 &rst
  ixpk= 992, nxpk= 25, iat= 677,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 695, 696,
 &end
#
#   44 ARG  HB+          44 ARG  QD          4.50    (#    993:25  Preassigned    2.27, 3.35 A)
 &rst
  ixpk= 993, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 689, 690,
 igr2= 695, 696,
 &end
#
#   44 ARG  HB-          44 ARG  QD          4.50    (#    994:25  Preassigned    2.27, 3.35 A)
 &rst
  ixpk= 994, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 689, 690,
 igr2= 695, 696,
 &end
#
#   44 ARG  HG+          44 ARG  QD          3.50    (#    995:25  Preassigned    2.25, 2.67 A)
 &rst
  ixpk= 995, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 692, 693,
 igr2= 695, 696,
 &end
#
#   44 ARG  HG-          44 ARG  QD          3.50    (#    996:25  Preassigned    2.25, 2.67 A)
 &rst
  ixpk= 996, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 692, 693,
 igr2= 695, 696,
 &end
#
#   68 LEU  QD1          44 ARG  QD          4.50    (#    997:25  Preassigned    2.41, 5.10 A)
 &rst
  ixpk= 997, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1077,1078,1079,
 igr2= 695, 696,
 &end
#
#   44 ARG  HN           44 ARG  QD          5.50    (#    998:25  Preassigned    2.22, 4.17 A)
 &rst
  ixpk= 998, nxpk= 25, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 695, 696,
 &end
#
#    3 VAL  QG1          44 ARG  QD          5.50    (#   1002:25  Preassigned    3.21, 6.50 A)
 &rst
  ixpk= 1002, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  24,  25,  26,
 igr2= 695, 696,
 &end
#
#   35 BTL  HB2          35 BTL  HE-         5.50    (#   1003:25  Preassigned    2.30, 4.45 A)
 &rst
  ixpk= 1003, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#   64 VAL  HN           53 LYS  QE          5.50    (#   1004:25  Preassigned    3.76, 4.00 A)
 &rst
  ixpk= 1004, nxpk= 25, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 850, 851,
 &end
#
#   60 ASN  HN           53 LYS  QE          5.50    (#   1005:25  Preassigned    4.39, 5.28 A)
 &rst
  ixpk= 1005, nxpk= 25, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 850, 851,
 &end
#
#   57 ASP  HB2          53 LYS  QE          5.50    (#   1006:25  Preassigned    6.16, 6.83 A)
 &rst
  ixpk= 1006, nxpk= 25, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 850, 851,
 &end
#
#   12 TRP  HB2          30 ILE  HB          5.50    (#   1007:25  Preassigned    4.21, 4.56 A)
 &rst
  ixpk= 1007, nxpk= 25, iat= 152, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1008    35 BTL  HE-         5.50    (#   1008:25  Single Ambig)
 &rst
  ixpk= 1008, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 520, 521, 540,
 igr2= 526, 527,
 &end
#
#   35 BTL  HZ1          35 BTL  HE-         4.50    (#   1009:25  Preassigned    2.29, 2.66 A)
 &rst
  ixpk= 1009, nxpk= 25, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 526, 527,
 &end
#
#   35 BTL  HD+          35 BTL  HE-         3.50    (#   1011:25  Preassigned    2.37, 2.62 A)
 &rst
  ixpk= 1011, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 523, 524,
 igr2= 526, 527,
 &end
#
#   35 BTL  HG+          35 BTL  HE-         4.50    (#   1012:25  Preassigned    2.46, 3.37 A)
 &rst
  ixpk= 1012, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 520, 521,
 igr2= 526, 527,
 &end
#
#    0 AMB  25-3:1013     0 AMB  25-1:1013   2.80    (#   1013:25  Double Ambig)
 &rst
  ixpk= 1013, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 869, 870, 253, 254,
 igr2= 872, 873, 256, 257,
 &end
#
#    0 AMB  25-3:1015     0 AMB  25-1:1015   5.50    (#   1015:25  Double Ambig)
 &rst
  ixpk= 1015, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 861, 284, 245,
 igr2= 872, 873, 256, 257,
 &end
#
#    0 AMB  25-3:1016     0 AMB  25-1:1016   4.50    (#   1016:25  Double Ambig)
 &rst
  ixpk= 1016, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 866, 867, 250, 251,
 igr2= 872, 873, 256, 257,
 &end
#
#    0 AMB  25-3:1017     0 AMB  25-1:1017   4.50    (#   1017:25  Double Ambig)
 &rst
  ixpk= 1017, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 866, 867, 250, 251,
 igr2= 872, 873, 256, 257,
 &end
#
#    0 AMB  25-3:1019     0 AMB  25-1:1019   2.80    (#   1019:25  Double Ambig)
 &rst
  ixpk= 1019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 355, 356, 847, 848, 350,
 igr2= 358, 359, 850, 851,
 &end
#
#   24 LYS  QG           24 LYS  QE          3.50    (#   1020:25  Preassigned    2.42, 3.25 A)
 &rst
  ixpk= 1020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 352, 353,
 igr2= 358, 359,
 &end
#
#   59 VAL  HA           53 LYS  QE          5.50    (#   1022:25  Preassigned    2.88, 4.08 A)
 &rst
  ixpk= 1022, nxpk= 25, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 850, 851,
 &end
#
#   63 ASP  HB2          53 LYS  QE          4.50    (#   1023:25  Preassigned    4.68, 5.21 A)
 &rst
  ixpk= 1023, nxpk= 25, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 850, 851,
 &end
#
#   53 LYS  HD-          53 LYS  QE          3.50    (#   1024:25  Preassigned    2.39, 2.76 A)
 &rst
  ixpk= 1024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 847, 848,
 igr2= 850, 851,
 &end
#
#   59 VAL  QG1          53 LYS  QE          4.50    (#   1025:25  Preassigned    1.95, 3.75 A)
 &rst
  ixpk= 1025, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 941, 942, 943,
 igr2= 850, 851,
 &end
#
#   59 VAL  QG2          53 LYS  QE          5.50    (#   1026:25  Preassigned    5.36, 6.65 A)
 &rst
  ixpk= 1026, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947,
 igr2= 850, 851,
 &end
#
#   43 ASP  HA           24 LYS  QE          5.50    (#   1027:25  Preassigned    2.96, 5.16 A)
 &rst
  ixpk= 1027, nxpk= 25, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 358, 359,
 &end
#
#    0 AMB  25-3:1028     0 AMB  25-1:1028   5.50    (#   1028:25  Double Ambig)
 &rst
  ixpk= 1028, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1017, 369, 370,
 igr2= 850, 851, 358, 359,
 &end
#
#   53 LYS  HG+          53 LYS  QE          3.50    (#   1029:25  Preassigned    2.21, 2.83 A)
 &rst
  ixpk= 1029, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 844, 845,
 igr2= 850, 851,
 &end
#
#   35 BTL  HZ1          35 BTL  HE+         3.50    (#   1030:25  Preassigned    2.29, 2.66 A)
 &rst
  ixpk= 1030, nxpk= 25, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 526, 527,
 &end
#
#   35 BTL  HB2          35 BTL  HE+         5.50    (#   1032:25  Preassigned    2.30, 4.45 A)
 &rst
  ixpk= 1032, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#   35 BTL  HD-          35 BTL  HE+         4.50    (#   1033:25  Preassigned    2.37, 2.62 A)
 &rst
  ixpk= 1033, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 523, 524,
 igr2= 526, 527,
 &end
#
#   35 BTL  HG+          35 BTL  HE+         4.50    (#   1034:25  Preassigned    2.46, 3.37 A)
 &rst
  ixpk= 1034, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 520, 521,
 igr2= 526, 527,
 &end
#
#    8 ALA  QB           60 ASN  HB+         5.50    (#   1036:25  Preassigned    4.93, 5.94 A)
 &rst
  ixpk= 1036, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 102, 103, 104,
 igr2= 955, 956,
 &end
#
#   60 ASN  HD22         60 ASN  HB+         5.50    (#   1037:25  Preassigned    2.54, 3.10 A)
 &rst
  ixpk= 1037, nxpk= 25, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 955, 956,
 &end
#
#   60 VAL  HA           59 ASN  HB+         5.50    (#   1038:25  Unique         3.88, 4.56 A)
 &rst
  ixpk= 1038, nxpk= 25, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 955, 956,
 &end
#
#    0 AMB  25-3:1039     0 AMB  25-1:1039   3.50    (#   1039:25  Double Ambig)
 &rst
  ixpk= 1039, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 965, 951,
 igr2= 955, 956, 955, 956,
 &end
#
#   60 ASN  HD21         60 ASN  HB+         5.50    (#   1040:25  Preassigned    3.63, 3.90 A)
 &rst
  ixpk= 1040, nxpk= 25, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 955, 956,
 &end
#
#   60 ASN  HA           60 ASN  HB+         4.50    (#   1041:25  Preassigned    2.85, 2.89 A)
 &rst
  ixpk= 1041, nxpk= 25, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 955, 956,
 &end
#
#    8 ALA  QB           60 ASN  HB-         5.50    (#   1042:25  Preassigned    4.93, 5.94 A)
 &rst
  ixpk= 1042, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 102, 103, 104,
 igr2= 955, 956,
 &end
#
#    0 AMB  25-3:1043    60 ASN  HB-         3.50    (#   1043:25  Single Ambig)
 &rst
  ixpk= 1043, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 965, 951,
 igr2= 955, 956,
 &end
#
#   60 ASN  HD21         60 ASN  HB-         4.50    (#   1044:25  Preassigned    3.63, 3.90 A)
 &rst
  ixpk= 1044, nxpk= 25, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 955, 956,
 &end
#
#   60 VAL  HA           59 ASN  HB-         5.50    (#   1045:25  Preassigned    3.88, 4.56 A)
 &rst
  ixpk= 1045, nxpk= 25, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 955, 956,
 &end
#
#   60 ASN  HA           60 ASN  HB-         4.50    (#   1046:25  Preassigned    2.85, 2.89 A)
 &rst
  ixpk= 1046, nxpk= 25, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 955, 956,
 &end
#
#   30 ILE  HN           30 ILE  HB          5.50    (#   1047:25  Preassigned    2.72, 2.84 A)
 &rst
  ixpk= 1047, nxpk= 25, iat= 432, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           30 ILE  HB          5.50    (#   1048:25  Preassigned    2.43, 2.61 A)
 &rst
  ixpk= 1048, nxpk= 25, iat= 172, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1049    30 ILE  HB          5.50    (#   1049:25  Single Ambig)
 &rst
  ixpk= 1049, nxpk= 25, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 167, 220,
 &end
#
#   30 ILE  HA           30 ILE  HB          5.50    (#   1050:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 1050, nxpk= 25, iat= 434, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1051    30 ILE  HB          2.80    (#   1051:25  Single Ambig)
 &rst
  ixpk= 1051, nxpk= 25, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 438, 439, 440, 442, 443, 445, 446, 447,
 &end
#
#   12 TRP  HD1          30 ILE  HB          5.50    (#   1052:25  Preassigned    5.07, 5.11 A)
 &rst
  ixpk= 1052, nxpk= 25, iat= 156, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HA           52 LYS  HE-         5.50    (#   1053:25  Preassigned    2.63, 4.40 A)
 &rst
  ixpk= 1053, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 828, 829,
 &end
#
#    0 AMB  25-3:1055     0 AMB  25-1:1055   5.50    (#   1055:25  Double Ambig)
 &rst
  ixpk= 1055, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 689, 690, 791, 792,1003, 788,
 igr2= 358, 359, 828, 829, 775, 776,
 &end
#
#   49 LYS  HD+          49 LYS  QE          4.50    (#   1056:25  Preassigned    2.34, 2.69 A)
 &rst
  ixpk= 1056, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 772, 773,
 igr2= 775, 776,
 &end
#
#   49 LYS  HG-          49 LYS  QE          4.50    (#   1057:25  Preassigned    2.33, 3.24 A)
 &rst
  ixpk= 1057, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 769, 770,
 igr2= 775, 776,
 &end
#
#    0 AMB  25-3:1060     0 AMB  25-1:1060   5.50    (#   1060:25  Double Ambig)
 &rst
  ixpk= 1060, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1058, 789,
 igr2= 828, 829, 828, 829,
 &end
#
#   52 LYS  QD           52 LYS  HE+         5.50    (#   1061:25  Preassigned    2.34, 2.76 A)
 &rst
  ixpk= 1061, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 825, 826,
 igr2= 828, 829,
 &end
#
#   52 LYS  HA           52 LYS  HE+         5.50    (#   1062:25  Preassigned    2.63, 4.40 A)
 &rst
  ixpk= 1062, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 828, 829,
 &end
#
#   60 ASN  HD22         60 ASN  HB-         5.50    (#   1064:25  Preassigned    2.54, 3.10 A)
 &rst
  ixpk= 1064, nxpk= 25, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 955, 956,
 &end
#
#   50 GLU  HN            0 AMB  25-1:1065   5.50    (#   1065:25  Single Ambig)
 &rst
  ixpk= 1065, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 828, 829, 775, 776,
 &end
#
#   15 HID  HE1          13 LYS  HE-         5.50    (#   1066:25  Preassigned    2.34, 3.20 A)
 &rst
  ixpk= 1066, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   55 GLU  HG-          13 LYS  HE-         5.50    (#   1068:25  Preassigned    6.31, 6.97 A)
 &rst
  ixpk= 1068, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 888, 889,
 igr2= 185, 186,
 &end
#
#   13 LYS  HD-          13 LYS  HE-         4.50    (#   1069:25  Preassigned    2.44, 2.77 A)
 &rst
  ixpk= 1069, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 183,
 igr2= 185, 186,
 &end
#
#   30 ILE  QD1          13 LYS  HE-         5.50    (#   1070:25  Preassigned    2.08, 3.15 A)
 &rst
  ixpk= 1070, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 445, 446, 447,
 igr2= 185, 186,
 &end
#
#   13 TRP  HH2          12 LYS  HE+         5.50    (#   1071:25  Preassigned    5.12, 6.09 A)
 &rst
  ixpk= 1071, nxpk= 25, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   13 LYS  HD+          13 LYS  HE-         5.50    (#   1074:25  Preassigned    2.44, 2.77 A)
 &rst
  ixpk= 1074, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 183,
 igr2= 185, 186,
 &end
#
#   13 LYS  HG-          13 LYS  HE-         5.50    (#   1075:25  Preassigned    2.38, 3.29 A)
 &rst
  ixpk= 1075, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 179, 180,
 igr2= 185, 186,
 &end
#
#   13 LYS  HG+          13 LYS  HE-         5.50    (#   1076:25  Preassigned    2.38, 3.29 A)
 &rst
  ixpk= 1076, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 179, 180,
 igr2= 185, 186,
 &end
#
#   13 TRP  HH2          12 LYS  HE-         5.50    (#   1077:25  Preassigned    5.12, 6.09 A)
 &rst
  ixpk= 1077, nxpk= 25, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   27 GLU  HG+          13 LYS  HE-         5.50    (#   1078:25  Preassigned    6.14, 7.21 A)
 &rst
  ixpk= 1078, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 398, 399,
 igr2= 185, 186,
 &end
#
#   27 GLU  HG+          13 LYS  HE+         5.50    (#   1079:25  Preassigned    6.14, 7.21 A)
 &rst
  ixpk= 1079, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 398, 399,
 igr2= 185, 186,
 &end
#
#   55 GLU  HG-          13 LYS  HE+         5.50    (#   1080:25  Preassigned    6.31, 6.97 A)
 &rst
  ixpk= 1080, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 888, 889,
 igr2= 185, 186,
 &end
#
#   13 LYS  HD+          13 LYS  HE+         4.50    (#   1081:25  Preassigned    2.44, 2.77 A)
 &rst
  ixpk= 1081, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 183,
 igr2= 185, 186,
 &end
#
#   30 ILE  QD1          13 LYS  HE+         5.50    (#   1082:25  Preassigned    2.08, 3.15 A)
 &rst
  ixpk= 1082, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 445, 446, 447,
 igr2= 185, 186,
 &end
#
#   13 LYS  HG-          13 LYS  HE+         5.50    (#   1083:25  Preassigned    2.38, 3.29 A)
 &rst
  ixpk= 1083, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 179, 180,
 igr2= 185, 186,
 &end
#
#   15 HID  HE1          13 LYS  HE+         5.50    (#   1084:25  Preassigned    2.34, 3.20 A)
 &rst
  ixpk= 1084, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   13 LYS  HD-          13 LYS  HE+         5.50    (#   1087:25  Preassigned    2.44, 2.77 A)
 &rst
  ixpk= 1087, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 183,
 igr2= 185, 186,
 &end
#
#   13 LYS  HG+          13 LYS  HE+         4.50    (#   1088:25  Preassigned    2.38, 3.29 A)
 &rst
  ixpk= 1088, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 179, 180,
 igr2= 185, 186,
 &end
#
#   54 LYS  HN           57 ASP  HB3         5.50    (#   1089:25  Preassigned    2.36, 2.53 A)
 &rst
  ixpk= 1089, nxpk= 25, iat= 859, 908, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HN           57 ASP  HB3         3.50    (#   1090:25  Preassigned    2.60, 2.68 A)
 &rst
  ixpk= 1090, nxpk= 25, iat= 903, 908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 ASP  HA           57 ASP  HB3         4.50    (#   1091:25  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 1091, nxpk= 25, iat= 905, 908, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HB3          57 ASP  HB3         5.50    (#   1092:25  Preassigned    2.54, 2.64 A)
 &rst
  ixpk= 1092, nxpk= 25, iat= 842, 908, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  QD+          57 ASP  HB3         5.50    (#   1093:25  Preassigned    2.46, 5.51 A)
 &rst
  ixpk= 1093, nxpk= 25, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   54 LYS  HG+          57 ASP  HB2         5.50    (#   1094:25  Unique         2.23, 2.92 A)
 &rst
  ixpk= 1094, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 866, 867,
 &end
#
#    0 AMB  25-3:1095    20 ASP  HB3         4.50    (#   1095:25  Single Ambig)
 &rst
  ixpk= 1095, nxpk= 25, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 243, 294,
 &end
#
#   59 VAL  QG1          57 ASP  HB3         5.50    (#   1096:25  Preassigned    2.95, 4.35 A)
 &rst
  ixpk= 1096, nxpk= 25, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 941, 942, 943,
 &end
#
#    0 AMB  25-3:1097    57 ASP  HB3         5.50    (#   1097:25  Single Ambig)
 &rst
  ixpk= 1097, nxpk= 25, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 133, 866, 867, 844, 845,
 &end
#
#    0 AMB  25-3:1098    57 ASP  HB3         5.50    (#   1098:25  Single Ambig)
 &rst
  ixpk= 1098, nxpk= 25, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 847, 848, 869, 870,
 &end
#
#   11 LEU  QD-          57 ASP  HB3         5.50    (#   1099:25  Preassigned    2.46, 5.51 A)
 &rst
  ixpk= 1099, nxpk= 25, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   32 GLU  HN            10 ASN  HB2         5.50    (#   1100:25  Preassigned    3.72, 3.79 A)
 &rst
  ixpk= 1100, nxpk= 25, iat= 470, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN            10 ASN  HB2         5.50    (#   1101:25  Preassigned    3.99, 4.15 A)
 &rst
  ixpk= 1101, nxpk= 25, iat= 129, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HN            10 ASN  HB2         3.50    (#   1102:25  Preassigned    2.66, 2.72 A)
 &rst
  ixpk= 1102, nxpk= 25, iat= 115, 119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    10 ASN  HD21          10 ASN  HB2         4.50    (#   1103:25  Preassigned    2.29, 2.30 A)
 &rst
  ixpk= 1103, nxpk= 25, iat= 124, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HD22          10 ASN  HB2         5.50    (#   1104:25  Preassigned    3.56, 3.57 A)
 &rst
  ixpk= 1104, nxpk= 25, iat= 125, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HA            10 ASN  HB2         4.50    (#   1105:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 1105, nxpk= 25, iat= 117, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HG+           10 ASN  HB3         7.00    (#   1107:25  Preassigned    5.65, 6.03 A)
 &rst
  ixpk= 1107, nxpk= 25, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 477, 478,
 &end
#
#   63 ASP  HA           63 ASP  HB3         4.50    (#   1108:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 1108, nxpk= 25, iat= 989, 992, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1110     0 AMB  25-1:1110   4.50    (#   1110:25  Double Ambig)
 &rst
  ixpk= 1110, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1=  58,  59,  60, 941, 942, 943,1005,1006,1007,
 igr2= 992, 828, 829,
 &end
#
#   60 ASN  HN           63 ASP  HB3         5.50    (#   1111:25  Preassigned    1.92, 2.00 A)
 &rst
  ixpk= 1111, nxpk= 25, iat= 951, 992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 VAL  HN           63 ASP  HB3         5.50    (#   1112:25  Preassigned    3.54, 3.62 A)
 &rst
  ixpk= 1112, nxpk= 25, iat= 999, 992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HB2          52 LYS  HE+         4.50    (#   1113:25  Preassigned    1.96, 3.00 A)
 &rst
  ixpk= 1113, nxpk= 25, iat=1057,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 828, 829,
 &end
#
#    5 ILE  HB           63 ASP  HB3         5.50    (#   1114:25  Preassigned    2.57, 2.73 A)
 &rst
  ixpk= 1114, nxpk= 25, iat=  49, 992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HN           57 ASP  HB2         4.50    (#   1115:25  Preassigned    2.28, 2.43 A)
 &rst
  ixpk= 1115, nxpk= 25, iat= 903, 907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HB3          57 ASP  HB2         5.50    (#   1116:25  Preassigned    3.14, 3.80 A)
 &rst
  ixpk= 1116, nxpk= 25, iat= 842, 907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  QD+          57 ASP  HB2         5.50    (#   1117:25  Preassigned    3.93, 6.77 A)
 &rst
  ixpk= 1117, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   53 LYS  HD+          57 ASP  HB2         5.50    (#   1118:25  Preassigned    3.60, 4.46 A)
 &rst
  ixpk= 1118, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#   57 ASP  HA           57 ASP  HB2         3.50    (#   1119:25  Preassigned    2.51, 2.55 A)
 &rst
  ixpk= 1119, nxpk= 25, iat= 905, 907, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LYS  HB3          57 ASP  HB2         5.50    (#   1120:25  Preassigned    3.14, 3.80 A)
 &rst
  ixpk= 1120, nxpk= 25, iat= 842, 907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 VAL  QG1          57 ASP  HB2         5.50    (#   1121:25  Preassigned    4.69, 6.08 A)
 &rst
  ixpk= 1121, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 941, 942, 943,
 &end
#
#   54 LYS  HN           57 ASP  HB2         5.50    (#   1122:25  Preassigned    2.21, 2.53 A)
 &rst
  ixpk= 1122, nxpk= 25, iat= 859, 907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HN           57 ASP  HB2         4.50    (#   1123:25  Preassigned    3.87, 3.99 A)
 &rst
  ixpk= 1123, nxpk= 25, iat= 915, 907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HD+          57 ASP  HB2         5.50    (#   1124:25  Preassigned    3.60, 4.46 A)
 &rst
  ixpk= 1124, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#   12 TRP  HA            10 ASN  HB3         5.50    (#   1125:25  Preassigned    4.62, 4.78 A)
 &rst
  ixpk= 1125, nxpk= 25, iat= 150, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HD21          10 ASN  HB3         5.50    (#   1128:25  Preassigned    3.50, 3.51 A)
 &rst
  ixpk= 1128, nxpk= 25, iat= 124, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN            10 ASN  HB3         5.50    (#   1129:25  Preassigned    2.96, 3.23 A)
 &rst
  ixpk= 1129, nxpk= 25, iat= 129, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HA            10 ASN  HB3         4.50    (#   1130:25  Preassigned    2.48, 2.49 A)
 &rst
  ixpk= 1130, nxpk= 25, iat= 117, 120, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 VAL  HN           63 ASP  HB2         5.50    (#   1131:25  Preassigned    4.02, 4.07 A)
 &rst
  ixpk= 1131, nxpk= 25, iat= 999, 991, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HA           63 ASP  HB2         4.50    (#   1132:25  Preassigned    2.54, 2.56 A)
 &rst
  ixpk= 1132, nxpk= 25, iat= 989, 991, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  QE           63 ASP  HB2         4.50    (#   1133:25  Preassigned    4.68, 5.21 A)
 &rst
  ixpk= 1133, nxpk= 25, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 850, 851,
 &end
#
#   60 ASN  HN           63 ASP  HB2         5.50    (#   1134:25  Preassigned    2.19, 2.34 A)
 &rst
  ixpk= 1134, nxpk= 25, iat= 951, 991, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1135    63 ASP  HB2         5.50    (#   1135:25  Single Ambig)
 &rst
  ixpk= 1135, nxpk= 25, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  58,  59,  60, 941, 942, 943,
 &end
#
#   63 ASP  HN           63 ASP  HB2         4.50    (#   1136:25  Preassigned    2.47, 2.51 A)
 &rst
  ixpk= 1136, nxpk= 25, iat= 987, 991, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ILE  HB           63 ASP  HB2         5.50    (#   1138:25  Preassigned    3.81, 4.08 A)
 &rst
  ixpk= 1138, nxpk= 25, iat=  49, 991, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1139    63 ASP  HB2         5.50    (#   1139:25  Single Ambig)
 &rst
  ixpk= 1139, nxpk= 25, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  58,  59,  60, 941, 942, 943,
 &end
#
#   12 TRP  HN           11 LEU  HB3         5.50    (#   1140:25  Preassigned    3.73, 4.38 A)
 &rst
  ixpk= 1140, nxpk= 25, iat= 148, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HA           11 LEU  HB3         5.50    (#   1141:25  Preassigned    2.35, 3.63 A)
 &rst
  ixpk= 1141, nxpk= 25, iat= 883, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLY  HN           11 LEU  HB3         5.50    (#   1142:25  Preassigned    2.91, 3.01 A)
 &rst
  ixpk= 1142, nxpk= 25, iat= 896, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN           11 LEU  HB3         4.50    (#   1143:25  Preassigned    2.52, 2.63 A)
 &rst
  ixpk= 1143, nxpk= 25, iat= 129, 134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HN           11 LEU  HB3         5.50    (#   1144:25  Preassigned    3.73, 4.38 A)
 &rst
  ixpk= 1144, nxpk= 25, iat= 148, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HN           11 LEU  HB3         5.50    (#   1145:25  Preassigned    2.65, 2.92 A)
 &rst
  ixpk= 1145, nxpk= 25, iat= 903, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HA           11 LEU  HB3         5.50    (#   1146:25  Preassigned    2.67, 3.01 A)
 &rst
  ixpk= 1146, nxpk= 25, iat= 131, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HG           11 LEU  HB3         3.50    (#   1148:25  Preassigned    2.37, 2.53 A)
 &rst
  ixpk= 1148, nxpk= 25, iat= 136, 134, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 VAL  QG2          11 LEU  HB3         4.50    (#   1149:25  Preassigned    2.64, 4.04 A)
 &rst
  ixpk= 1149, nxpk= 25, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 204, 205, 206,
 &end
#
#   11 LEU  QD+          11 LEU  HB3         4.50    (#   1150:25  Preassigned    2.35, 3.49 A)
 &rst
  ixpk= 1150, nxpk= 25, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  QD-          11 LEU  HB3         4.50    (#   1151:25  Preassigned    2.35, 3.49 A)
 &rst
  ixpk= 1151, nxpk= 25, iat=  -1, 134, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   53 LYS  HB3          11 LEU  HB3         5.50    (#   1152:25  Preassigned    3.56, 3.81 A)
 &rst
  ixpk= 1152, nxpk= 25, iat= 842, 134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLY  HN           11 LEU  HB2         5.50    (#   1153:25  Preassigned    2.80, 4.46 A)
 &rst
  ixpk= 1153, nxpk= 25, iat= 896, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN           11 LEU  HB2         4.50    (#   1154:25  Preassigned    2.20, 2.31 A)
 &rst
  ixpk= 1154, nxpk= 25, iat= 129, 133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HN           11 LEU  HB2         5.50    (#   1155:25  Preassigned    4.55, 4.60 A)
 &rst
  ixpk= 1155, nxpk= 25, iat= 148, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HN           11 LEU  HB2         5.50    (#   1156:25  Preassigned    2.27, 4.09 A)
 &rst
  ixpk= 1156, nxpk= 25, iat= 903, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HG           11 LEU  HB2         3.50    (#   1158:25  Preassigned    2.46, 3.02 A)
 &rst
  ixpk= 1158, nxpk= 25, iat= 136, 133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    11 ASN  HA           10 LEU  HB2         5.50    (#   1159:25  Preassigned    4.07, 4.11 A)
 &rst
  ixpk= 1159, nxpk= 25, iat= 117, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HA           11 LEU  HB2         4.50    (#   1160:25  Preassigned    2.55, 2.60 A)
 &rst
  ixpk= 1160, nxpk= 25, iat= 131, 133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HB3          11 LEU  HB2         5.50    (#   1161:25  Preassigned    3.76, 3.87 A)
 &rst
  ixpk= 1161, nxpk= 25, iat= 842, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 VAL  QG1          11 LEU  HB2         4.50    (#   1162:25  Preassigned    2.53, 3.28 A)
 &rst
  ixpk= 1162, nxpk= 25, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 941, 942, 943,
 &end
#
#   11 LEU  QD+          11 LEU  HB2         4.50    (#   1163:25  Preassigned    2.40, 3.13 A)
 &rst
  ixpk= 1163, nxpk= 25, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  QD-          11 LEU  HB2         4.50    (#   1164:25  Preassigned    2.40, 3.13 A)
 &rst
  ixpk= 1164, nxpk= 25, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   12 TRP  HN           11 LEU  HB2         5.50    (#   1165:25  Preassigned    4.55, 4.60 A)
 &rst
  ixpk= 1165, nxpk= 25, iat= 148, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HA           11 LEU  HB2         5.50    (#   1166:25  Preassigned    3.21, 5.28 A)
 &rst
  ixpk= 1166, nxpk= 25, iat= 883, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  QG1          20 ASP  HB3         5.50    (#   1169:25  Preassigned    3.47, 4.68 A)
 &rst
  ixpk= 1169, nxpk= 25, iat=  -1, 287, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 233, 234, 235,
 &end
#
#    0 AMB  25-3:1170     0 AMB  25-1:1170   2.80    (#   1170:25  Double Ambig)
 &rst
  ixpk= 1170, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 282, 987,
 igr2= 287, 992,
 &end
#
#   20 ASP  HA           20 ASP  HB3         4.50    (#   1171:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 1171, nxpk= 25, iat= 284, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1172     0 AMB  25-1:1172   7.00    (#   1172:25  Double Ambig)
 &rst
  ixpk= 1172, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
 igr1= 752, 753, 754, 733, 734, 735, 945, 946, 947, 324,
       325, 326,
 igr2= 287, 992,
 &end
#
#    0 AMB  25-3:1173     0 AMB  25-1:1173   4.50    (#   1173:25  Double Ambig)
 &rst
  ixpk= 1173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 756, 757, 758,  51,  52,  53,
 igr2= 287, 992,
 &end
#
#   16 VAL  HA           20 ASP  HB3         5.50    (#   1174:25  Preassigned    3.47, 3.60 A)
 &rst
  ixpk= 1174, nxpk= 25, iat= 229, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HD22          10 ASN  HB3         5.50    (#   1175:25  Preassigned    4.09, 4.10 A)
 &rst
  ixpk= 1175, nxpk= 25, iat= 125, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 GLN  HN           20 ASP  HB2         4.50    (#   1176:25  Preassigned    3.86, 4.05 A)
 &rst
  ixpk= 1176, nxpk= 25, iat= 294, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 VAL  HB           20 ASP  HB2         5.50    (#   1177:25  Preassigned    4.64, 4.97 A)
 &rst
  ixpk= 1177, nxpk= 25, iat= 231, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  QG2          20 ASP  HB2         5.50    (#   1178:25  Preassigned    5.06, 5.93 A)
 &rst
  ixpk= 1178, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 317, 318, 319,
 &end
#
#   16 VAL  QG1          20 ASP  HB2         5.50    (#   1179:25  Preassigned    4.66, 5.95 A)
 &rst
  ixpk= 1179, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 233, 234, 235,
 &end
#
#    0 AMB  25-3:1180    20 ASP  HB2         5.50    (#   1180:25  Single Ambig)
 &rst
  ixpk= 1180, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 752, 753, 754, 733, 734, 735,
 &end
#
#   20 ASP  HA           20 ASP  HB2         3.50    (#   1181:25  Preassigned    2.46, 2.50 A)
 &rst
  ixpk= 1181, nxpk= 25, iat= 284, 286, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  QG2          20 ASP  HB2         5.50    (#   1183:25  Preassigned    4.20, 5.24 A)
 &rst
  ixpk= 1183, nxpk= 25, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#   20 ASP  HN           20 ASP  HB2         4.50    (#   1184:25  Preassigned    2.48, 2.57 A)
 &rst
  ixpk= 1184, nxpk= 25, iat= 282, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 ILE  HN           22 ILE  HB          4.50    (#   1185:25  Preassigned    3.84, 3.87 A)
 &rst
  ixpk= 1185, nxpk= 25, iat= 311, 315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLU  HN           22 ILE  HB          4.50    (#   1186:25  Preassigned    2.29, 2.36 A)
 &rst
  ixpk= 1186, nxpk= 25, iat= 330, 315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 ILE  HA           22 ILE  HB          3.50    (#   1187:25  Preassigned    2.41, 2.43 A)
 &rst
  ixpk= 1187, nxpk= 25, iat= 313, 315, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1188    22 ILE  HB          5.50    (#   1188:25  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 711, 296, 729,
 &end
#
#   26 GLN  HB3          22 ILE  HB          5.50    (#   1189:25  Preassigned    3.14, 3.26 A)
 &rst
  ixpk= 1189, nxpk= 25, iat= 379, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HG1-         22 ILE  HB          4.50    (#   1190:25  Preassigned    2.45, 2.77 A)
 &rst
  ixpk= 1190, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 321, 322,
 &end
#
#   22 ILE  HG1+         22 ILE  HB          4.50    (#   1191:25  Preassigned    2.45, 2.77 A)
 &rst
  ixpk= 1191, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 321, 322,
 &end
#
#    0 AMB  25-3:1192    22 ILE  HB          4.50    (#   1192:25  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 756, 757, 758, 416, 417, 418,
 &end
#
#   22 ILE  QG2          22 ILE  HB          2.80    (#   1193:25  Preassigned    2.38, 2.64 A)
 &rst
  ixpk= 1193, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 317, 318, 319,
 &end
#
#   22 ILE  QD1          22 ILE  HB          3.50    (#   1194:25  Preassigned    2.43, 3.15 A)
 &rst
  ixpk= 1194, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 324, 325, 326,
 &end
#
#    0 AMB  25-3:1195    22 ILE  HB          5.50    (#   1195:25  Single Ambig)
 &rst
  ixpk= 1195, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 378, 410, 301, 302, 231,
 &end
#
#    0 AMB  25-3:1196    22 ILE  HB          5.50    (#   1196:25  Single Ambig)
 &rst
  ixpk= 1196, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   68 LEU  QD2          22 ILE  HB          5.50    (#   1197:25  Preassigned    5.57, 6.18 A)
 &rst
  ixpk= 1197, nxpk= 25, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1081,1082,1083,
 &end
#
#   43 ASP  HN           43 ASP  HB2         5.50    (#   1198:25  Preassigned    2.47, 2.53 A)
 &rst
  ixpk= 1198, nxpk= 25, iat= 673, 677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ASP  HA           43 ASP  HB2         3.50    (#   1199:25  Preassigned    2.42, 2.46 A)
 &rst
  ixpk= 1199, nxpk= 25, iat= 675, 677, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 ASP  HN           43 ASP  HB3         5.50    (#   1201:25  Preassigned    2.45, 2.53 A)
 &rst
  ixpk= 1201, nxpk= 25, iat= 673, 678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ASP  HA           43 ASP  HB3         3.50    (#   1202:25  Preassigned    3.03, 3.04 A)
 &rst
  ixpk= 1202, nxpk= 25, iat= 675, 678, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 LEU  HN           38 ILE  HB          5.50    (#   1204:25  Preassigned    3.37, 3.47 A)
 &rst
  ixpk= 1204, nxpk= 25, iat= 451, 599, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HA           38 ILE  HB          5.50    (#   1205:25  Preassigned    3.00, 3.02 A)
 &rst
  ixpk= 1205, nxpk= 25, iat= 597, 599, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  QG2          38 ILE  HB          3.50    (#   1206:25  Preassigned    2.42, 2.66 A)
 &rst
  ixpk= 1206, nxpk= 25, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 601, 602, 603,
 &end
#
#   38 ILE  HN           38 ILE  HB          4.50    (#   1207:25  Preassigned    2.91, 3.00 A)
 &rst
  ixpk= 1207, nxpk= 25, iat= 595, 599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 GLU  HA           37 ILE  HB          5.50    (#   1208:25  Preassigned    4.66, 4.90 A)
 &rst
  ixpk= 1208, nxpk= 25, iat= 582, 599, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HB3          38 ILE  HB          3.50    (#   1209:25  Preassigned    3.52, 3.53 A)
 &rst
  ixpk= 1209, nxpk= 25, iat= 456, 599, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1210    38 ILE  HB          3.50    (#   1210:25  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 25, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 455, 605, 606,
 &end
#
#   38 ILE  QD1          38 ILE  HB          4.50    (#   1211:25  Preassigned    2.43, 3.14 A)
 &rst
  ixpk= 1211, nxpk= 25, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 608, 609, 610,
 &end
#
#   40 ILE  QD1          38 ILE  HB          5.50    (#   1212:25  Preassigned    2.64, 4.32 A)
 &rst
  ixpk= 1212, nxpk= 25, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 641, 642, 643,
 &end
#
#    0 AMB  25-3:1213    38 ILE  HB          5.50    (#   1213:25  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 25, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   38 ILE  HG1-         38 ILE  HB          4.50    (#   1214:25  Preassigned    2.46, 2.77 A)
 &rst
  ixpk= 1214, nxpk= 25, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 605, 606,
 &end
#
#   30 ILE  QG2          38 ILE  HB          5.50    (#   1215:25  Preassigned    5.04, 5.75 A)
 &rst
  ixpk= 1215, nxpk= 25, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   58 PHE  HN           58 PHE  HB2         3.50    (#   1216:25  Preassigned    2.70, 2.76 A)
 &rst
  ixpk= 1216, nxpk= 25, iat= 915, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 PHE  HE           58 PHE  HB2         5.50    (#   1217:25  Preassigned    4.78, 5.11 A)
 &rst
  ixpk= 1217, nxpk= 25, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 925, 929,
 &end
#
#   58 PHE  HD           58 PHE  HB2         4.50    (#   1218:25  Preassigned    2.55, 3.11 A)
 &rst
  ixpk= 1218, nxpk= 25, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 923, 931,
 &end
#
#   58 ASP  HA           57 PHE  HB2         5.50    (#   1221:25  Preassigned    4.45, 4.52 A)
 &rst
  ixpk= 1221, nxpk= 25, iat= 905, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HN           58 PHE  HB3         3.50    (#   1222:25  Preassigned    2.37, 2.41 A)
 &rst
  ixpk= 1222, nxpk= 25, iat= 915, 920, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 PHE  HD           58 PHE  HB3         4.50    (#   1223:25  Preassigned    2.37, 3.08 A)
 &rst
  ixpk= 1223, nxpk= 25, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 923, 931,
 &end
#
#   58 PHE  HA           58 PHE  HB3         4.50    (#   1224:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 1224, nxpk= 25, iat= 917, 920, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HA           58 PHE  HB2         5.50    (#   1227:25  Preassigned    4.69, 4.76 A)
 &rst
  ixpk= 1227, nxpk= 25, iat= 117, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HA           58 PHE  HB2         4.50    (#   1228:25  Preassigned    2.45, 2.46 A)
 &rst
  ixpk= 1228, nxpk= 25, iat= 917, 919, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HA           58 PHE  HB2         5.50    (#   1229:25  Preassigned    4.69, 4.76 A)
 &rst
  ixpk= 1229, nxpk= 25, iat= 117, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  QB           47 ILE  HB          4.50    (#   1230:25  Preassigned    2.27, 3.40 A)
 &rst
  ixpk= 1230, nxpk= 25, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1091,1092,
 &end
#
#   47 ILE  HG1+         47 ILE  HB          4.50    (#   1231:25  Preassigned    2.34, 2.60 A)
 &rst
  ixpk= 1231, nxpk= 25, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 737, 738,
 &end
#
#   47 ILE  QG2          47 ILE  HB          2.80    (#   1232:25  Preassigned    2.39, 2.66 A)
 &rst
  ixpk= 1232, nxpk= 25, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 733, 734, 735,
 &end
#
#   69 SER  HN           47 ILE  HB          5.50    (#   1233:25  Preassigned    3.29, 3.65 A)
 &rst
  ixpk= 1233, nxpk= 25, iat=1087, 731, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HN           47 ILE  HB          3.50    (#   1234:25  Preassigned    2.35, 2.52 A)
 &rst
  ixpk= 1234, nxpk= 25, iat= 727, 731, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 ILE  HG1-         47 ILE  HB          4.50    (#   1235:25  Preassigned    2.34, 2.60 A)
 &rst
  ixpk= 1235, nxpk= 25, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 737, 738,
 &end
#
#   47 ILE  QD1          47 ILE  HB          4.50    (#   1236:25  Preassigned    2.59, 3.63 A)
 &rst
  ixpk= 1236, nxpk= 25, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 740, 741, 742,
 &end
#
#   47 ILE  HA           47 ILE  HB          4.50    (#   1237:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1237, nxpk= 25, iat= 729, 731, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1243     0 AMB  25-1:1243   5.50    (#   1243:25  Double Ambig)
 &rst
  ixpk= 1243, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 442, 443, 445, 446, 447,
 igr2= 398, 399, 398, 399,
 &end
#
#   28 VAL  HN           27 GLU  HG+         5.50    (#   1244:25  Preassigned    3.13, 3.28 A)
 &rst
  ixpk= 1244, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   40 ILE  HN           27 GLU  HG+         5.50    (#   1245:25  Preassigned    3.08, 3.88 A)
 &rst
  ixpk= 1245, nxpk= 25, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   29 ALA  HN           27 GLU  HG+         7.00    (#   1246:25  Preassigned    3.28, 3.38 A)
 &rst
  ixpk= 1246, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 398, 399,
 &end
#
#   15 HID  HD2          27 GLU  HG+         7.00    (#   1247:25  Preassigned    2.56, 3.26 A)
 &rst
  ixpk= 1247, nxpk= 25, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 398, 399,
 &end
#
#   27 GLU  HA           27 GLU  HG+         4.50    (#   1248:25  Preassigned    2.49, 2.85 A)
 &rst
  ixpk= 1248, nxpk= 25, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 398, 399,
 &end
#
#   39 PRO  HB+          27 GLU  HG+         4.50    (#   1249:25  Preassigned    3.38, 4.59 A)
 &rst
  ixpk= 1249, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 621, 622,
 igr2= 398, 399,
 &end
#
#   27 GLU  HB2          27 GLU  HG+         2.80    (#   1250:25  Preassigned    2.50, 2.78 A)
 &rst
  ixpk= 1250, nxpk= 25, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 398, 399,
 &end
#
#   27 GLU  HN           27 GLU  HG+         5.50    (#   1253:25  Preassigned    4.44, 4.46 A)
 &rst
  ixpk= 1253, nxpk= 25, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   39 PRO  HB-          27 GLU  HG+         5.50    (#   1254:25  Preassigned    3.38, 4.59 A)
 &rst
  ixpk= 1254, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 621, 622,
 igr2= 398, 399,
 &end
#
#   39 PRO  HB+          27 GLU  HG-         5.50    (#   1256:25  Preassigned    3.38, 4.59 A)
 &rst
  ixpk= 1256, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 621, 622,
 igr2= 398, 399,
 &end
#
#   28 VAL  HN           27 GLU  HG-         5.50    (#   1258:25  Preassigned    3.13, 3.28 A)
 &rst
  ixpk= 1258, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   27 GLU  HN           27 GLU  HG-         5.50    (#   1259:25  Preassigned    4.44, 4.46 A)
 &rst
  ixpk= 1259, nxpk= 25, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   29 ALA  HN           27 GLU  HG-         7.00    (#   1260:25  Preassigned    3.28, 3.38 A)
 &rst
  ixpk= 1260, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 398, 399,
 &end
#
#   15 HID  HD2          27 GLU  HG-         5.50    (#   1261:25  Preassigned    2.56, 3.26 A)
 &rst
  ixpk= 1261, nxpk= 25, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   27 GLU  HA           27 GLU  HG-         4.50    (#   1262:25  Preassigned    2.49, 2.85 A)
 &rst
  ixpk= 1262, nxpk= 25, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 398, 399,
 &end
#
#   27 GLU  HB2          27 GLU  HG-         2.80    (#   1264:25  Preassigned    2.50, 2.78 A)
 &rst
  ixpk= 1264, nxpk= 25, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 398, 399,
 &end
#
#   61 GLU  HA            5 ILE  HB          5.50    (#   1265:25  Preassigned    3.95, 4.24 A)
 &rst
  ixpk= 1265, nxpk= 25, iat= 967,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 GLY  HN            5 ILE  HB          5.50    (#   1266:25  Preassigned    3.43, 3.83 A)
 &rst
  ixpk= 1266, nxpk= 25, iat= 980,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HN            5 ILE  HB          3.50    (#   1267:25  Preassigned    2.24, 2.30 A)
 &rst
  ixpk= 1267, nxpk= 25, iat=  45,  49, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 SER  HA            4 ILE  HB          5.50    (#   1268:25  Preassigned    4.47, 4.52 A)
 &rst
  ixpk= 1268, nxpk= 25, iat=  36,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HB3           5 ILE  HB          5.50    (#   1269:25  Preassigned    2.57, 2.73 A)
 &rst
  ixpk= 1269, nxpk= 25, iat= 992,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HG1-          5 ILE  HB          4.50    (#   1270:25  Preassigned    2.35, 2.46 A)
 &rst
  ixpk= 1270, nxpk= 25, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
#    5 ILE  HG1+          5 ILE  HB          4.50    (#   1271:25  Preassigned    2.35, 2.46 A)
 &rst
  ixpk= 1271, nxpk= 25, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  55,  56,
 &end
#
#   63 ASP  HN            5 ILE  HB          5.50    (#   1272:25  Preassigned    2.49, 2.96 A)
 &rst
  ixpk= 1272, nxpk= 25, iat= 987,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HA            5 ILE  HB          5.50    (#   1273:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1273, nxpk= 25, iat=  47,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1274     5 ILE  HB          5.50    (#   1274:25  Single Ambig)
 &rst
  ixpk= 1274, nxpk= 25, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  39, 982, 983,  38,
 &end
#
#    5 ILE  QG2           5 ILE  HB          3.50    (#   1275:25  Preassigned    2.34, 2.65 A)
 &rst
  ixpk= 1275, nxpk= 25, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  51,  52,  53,
 &end
#
#    5 ILE  QD1           5 ILE  HB          4.50    (#   1276:25  Preassigned    2.32, 3.92 A)
 &rst
  ixpk= 1276, nxpk= 25, iat=  -1,  49, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  58,  59,  60,
 &end
#
#   63 ASP  HB2           5 ILE  HB          5.50    (#   1277:25  Preassigned    3.81, 4.08 A)
 &rst
  ixpk= 1277, nxpk= 25, iat= 991,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 VAL  HB            5 ILE  HB          5.50    (#   1278:25  Preassigned    3.00, 3.31 A)
 &rst
  ixpk= 1278, nxpk= 25, iat= 939,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HA           55 GLU  HG+         5.50    (#   1281:25  Preassigned    2.40, 3.02 A)
 &rst
  ixpk= 1281, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#   14 VAL  HN           55 GLU  HG+         5.50    (#   1282:25  Preassigned    2.10, 2.67 A)
 &rst
  ixpk= 1282, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#   55 GLU  HN           55 GLU  HG+         4.50    (#   1283:25  Preassigned    2.63, 3.25 A)
 &rst
  ixpk= 1283, nxpk= 25, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 888, 889,
 &end
#
#   13 LYS  HA           55 GLU  HG+         5.50    (#   1284:25  Preassigned    2.28, 2.56 A)
 &rst
  ixpk= 1284, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#   14 VAL  HB           55 GLU  HG+         5.50    (#   1285:25  Preassigned    2.59, 3.52 A)
 &rst
  ixpk= 1285, nxpk= 25, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#   55 GLU  QB           55 GLU  HG+         3.50    (#   1286:25  Preassigned    2.25, 2.65 A)
 &rst
  ixpk= 1286, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 885, 886,
 igr2= 888, 889,
 &end
#
#   14 VAL  QG2          55 GLU  HG+         4.50    (#   1287:25  Preassigned    2.62, 4.60 A)
 &rst
  ixpk= 1287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 204, 205, 206,
 igr2= 888, 889,
 &end
#
#   55 GLU  HN           55 GLU  HG-         5.50    (#   1288:25  Preassigned    2.63, 3.25 A)
 &rst
  ixpk= 1288, nxpk= 25, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#   13 LYS  HD+          55 GLU  HG-         5.50    (#   1289:25  Preassigned    4.90, 5.75 A)
 &rst
  ixpk= 1289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 183,
 igr2= 888, 889,
 &end
#
#   14 VAL  HN           55 GLU  HG-         4.50    (#   1290:25  Preassigned    2.10, 2.67 A)
 &rst
  ixpk= 1290, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 888, 889,
 &end
#
#   13 LYS  HA           55 GLU  HG-         4.50    (#   1291:25  Preassigned    2.28, 2.56 A)
 &rst
  ixpk= 1291, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 888, 889,
 &end
#
#   55 GLU  HA           55 GLU  HG-         4.50    (#   1292:25  Preassigned    2.40, 3.02 A)
 &rst
  ixpk= 1292, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 888, 889,
 &end
#
#   55 GLU  QB           55 GLU  HG-         2.80    (#   1293:25  Preassigned    2.25, 2.65 A)
 &rst
  ixpk= 1293, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 885, 886,
 igr2= 888, 889,
 &end
#
#   14 VAL  QG2          55 GLU  HG-         5.50    (#   1294:25  Preassigned    2.62, 4.60 A)
 &rst
  ixpk= 1294, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 205, 206,
 igr2= 888, 889,
 &end
#
#   13 LYS  HB3          55 GLU  HG+         5.50    (#   1296:25  Preassigned    3.91, 4.05 A)
 &rst
  ixpk= 1296, nxpk= 25, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#   11 LEU  QD+          53 LYS  HB3         5.50    (#   1297:25  Preassigned    2.38, 4.20 A)
 &rst
  ixpk= 1297, nxpk= 25, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:1298    53 LYS  HB3         4.50    (#   1298:25  Single Ambig)
 &rst
  ixpk= 1298, nxpk= 25, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 941, 942, 943,1024,1025,1026,1028,1029,1030, 204,
       205, 206,
 &end
#
#   11 LEU  QD-          53 LYS  HB3         4.50    (#   1299:25  Preassigned    2.38, 4.20 A)
 &rst
  ixpk= 1299, nxpk= 25, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   53 LYS  HA           53 LYS  HB3         4.50    (#   1300:25  Preassigned    2.50, 2.51 A)
 &rst
  ixpk= 1300, nxpk= 25, iat= 839, 842, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 ASP  HB3          53 LYS  HB3         5.50    (#   1301:25  Preassigned    2.54, 2.64 A)
 &rst
  ixpk= 1301, nxpk= 25, iat= 908, 842, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HB2          53 LYS  HB3         5.50    (#   1302:25  Preassigned    3.14, 3.80 A)
 &rst
  ixpk= 1302, nxpk= 25, iat= 907, 842, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1303    53 LYS  HB3         3.50    (#   1303:25  Single Ambig)
 &rst
  ixpk= 1303, nxpk= 25, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 844, 845, 133,
 &end
#
#   14 VAL  QG1          55 GLU  HG+         5.50    (#   1305:25  Preassigned    4.92, 6.04 A)
 &rst
  ixpk= 1305, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 200, 201, 202,
 igr2= 888, 889,
 &end
#
#   29 ALA  HN           40 ILE  HB          5.50    (#   1306:25  Preassigned    2.64, 2.74 A)
 &rst
  ixpk= 1306, nxpk= 25, iat= 422, 632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HN           40 ILE  HB          4.50    (#   1307:25  Preassigned    2.69, 2.75 A)
 &rst
  ixpk= 1307, nxpk= 25, iat= 628, 632, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 PRO  HA           39 ILE  HB          5.50    (#   1308:25  Preassigned    4.68, 4.74 A)
 &rst
  ixpk= 1308, nxpk= 25, iat= 624, 632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HA           40 ILE  HB          5.50    (#   1309:25  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 1309, nxpk= 25, iat= 630, 632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  QB           40 ILE  HB          3.50    (#   1310:25  Preassigned    2.20, 3.30 A)
 &rst
  ixpk= 1310, nxpk= 25, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 426, 427, 428,
 &end
#
#   40 ILE  HG1-         40 ILE  HB          4.50    (#   1311:25  Preassigned    2.41, 2.53 A)
 &rst
  ixpk= 1311, nxpk= 25, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 638, 639,
 &end
#
#    0 AMB  25-3:1312    40 ILE  HB          2.80    (#   1312:25  Single Ambig)
 &rst
  ixpk= 1312, nxpk= 25, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 634, 635, 636, 641, 642, 643,1024,1025,1026,1028,
      1029,1030,
 &end
#
#   11 LEU  QD+          40 ILE  HB          5.50    (#   1313:25  Preassigned    3.96, 5.89 A)
 &rst
  ixpk= 1313, nxpk= 25, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   54 LYS  HN           53 LYS  HB2         5.50    (#   1314:25  Preassigned    3.30, 3.35 A)
 &rst
  ixpk= 1314, nxpk= 25, iat= 859, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HG-          53 LYS  HB2         3.50    (#   1315:25  Preassigned    2.31, 2.45 A)
 &rst
  ixpk= 1315, nxpk= 25, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 844, 845,
 &end
#
#   53 LYS  HA           53 LYS  HB2         5.50    (#   1316:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1316, nxpk= 25, iat= 839, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HG+          53 LYS  HB2         3.50    (#   1318:25  Preassigned    2.31, 2.45 A)
 &rst
  ixpk= 1318, nxpk= 25, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 844, 845,
 &end
#
#   11 LEU  QD-          53 LYS  HB2         4.50    (#   1319:25  Preassigned    2.34, 3.98 A)
 &rst
  ixpk= 1319, nxpk= 25, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   30 ILE  HB           13 LYS  HB3         5.50    (#   1320:25  Unique         4.08, 4.51 A)
 &rst
  ixpk= 1320, nxpk= 25, iat= 436, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HN           13 LYS  HB3         5.50    (#   1321:25  Preassigned    2.40, 2.44 A)
 &rst
  ixpk= 1321, nxpk= 25, iat= 194, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           13 LYS  HB3         5.50    (#   1322:25  Preassigned    3.80, 3.90 A)
 &rst
  ixpk= 1322, nxpk= 25, iat= 172, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HE1          13 LYS  HB3         5.50    (#   1323:25  Preassigned    2.47, 2.64 A)
 &rst
  ixpk= 1323, nxpk= 25, iat= 220, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HG-          13 LYS  HB3         4.50    (#   1325:25  Preassigned    2.25, 2.76 A)
 &rst
  ixpk= 1325, nxpk= 25, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#   13 LYS  HG+          13 LYS  HB3         4.50    (#   1326:25  Preassigned    2.25, 2.76 A)
 &rst
  ixpk= 1326, nxpk= 25, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#   30 ILE  HN           13 LYS  HB3         5.50    (#   1327:25  Preassigned    4.73, 4.87 A)
 &rst
  ixpk= 1327, nxpk= 25, iat= 432, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HA           13 LYS  HB3         4.50    (#   1328:25  Preassigned    2.48, 2.50 A)
 &rst
  ixpk= 1328, nxpk= 25, iat= 174, 177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HN           13 LYS  HB2         5.50    (#   1329:25  Preassigned    3.76, 3.85 A)
 &rst
  ixpk= 1329, nxpk= 25, iat= 432, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           13 LYS  HB2         5.50    (#   1330:25  Preassigned    2.73, 2.88 A)
 &rst
  ixpk= 1330, nxpk= 25, iat= 172, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HE1          13 LYS  HB2         5.50    (#   1331:25  Preassigned    3.27, 3.34 A)
 &rst
  ixpk= 1331, nxpk= 25, iat= 220, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HA           13 LYS  HB2         5.50    (#   1332:25  Preassigned    3.02, 3.04 A)
 &rst
  ixpk= 1332, nxpk= 25, iat= 174, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HN           13 LYS  HB2         5.50    (#   1333:25  Preassigned    3.66, 3.70 A)
 &rst
  ixpk= 1333, nxpk= 25, iat= 194, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HB           13 LYS  HB2         4.50    (#   1334:25  Preassigned    2.39, 2.80 A)
 &rst
  ixpk= 1334, nxpk= 25, iat= 436, 176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HG1+         13 LYS  HB2         5.50    (#   1335:25  Preassigned    2.99, 3.84 A)
 &rst
  ixpk= 1335, nxpk= 25, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 442, 443,
 &end
#
#   13 LYS  HD-          13 LYS  HB2         5.50    (#   1337:25  Preassigned    2.51, 3.53 A)
 &rst
  ixpk= 1337, nxpk= 25, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 183,
 &end
#
#   13 LYS  HG-          13 LYS  HB2         4.50    (#   1338:25  Preassigned    2.43, 2.76 A)
 &rst
  ixpk= 1338, nxpk= 25, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#   13 LYS  HG+          13 LYS  HB2         4.50    (#   1339:25  Preassigned    2.43, 2.76 A)
 &rst
  ixpk= 1339, nxpk= 25, iat=  -1, 176, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#   35 BTL  HN3          37 GLU  HG+         5.50    (#   1340:25  Preassigned    2.56, 4.85 A)
 &rst
  ixpk= 1340, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   38 ILE  HN           37 GLU  HG+         5.50    (#   1341:25  Preassigned    3.28, 4.83 A)
 &rst
  ixpk= 1341, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   37 GLU  HN           37 GLU  HG+         4.50    (#   1342:25  Preassigned    2.26, 3.21 A)
 &rst
  ixpk= 1342, nxpk= 25, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 587, 588,
 &end
#
#   35 BTL  HN3          37 GLU  HG+         5.50    (#   1343:25  Preassigned    2.56, 4.85 A)
 &rst
  ixpk= 1343, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   30 ILE  QG2          37 GLU  HG+         5.50    (#   1344:25  Preassigned    2.97, 6.26 A)
 &rst
  ixpk= 1344, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 438, 439, 440,
 igr2= 587, 588,
 &end
#
#   37 GLU  HA           37 GLU  HG+         4.50    (#   1345:25  Preassigned    2.59, 3.49 A)
 &rst
  ixpk= 1345, nxpk= 25, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 587, 588,
 &end
#
#   35 BTL  H5           37 GLU  HG+         5.50    (#   1346:25  Preassigned    2.26, 4.71 A)
 &rst
  ixpk= 1346, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   37 GLU  QB           37 GLU  HG+         2.80    (#   1347:25  Preassigned    2.26, 2.73 A)
 &rst
  ixpk= 1347, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 584, 585,
 igr2= 587, 588,
 &end
#
#   12 TRP  HZ3          37 GLU  HG+         5.50    (#   1348:25  Preassigned    2.19, 3.71 A)
 &rst
  ixpk= 1348, nxpk= 25, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   53 LYS  HN           53 LYS  HB3         5.50    (#   1349:25  Preassigned    3.85, 3.89 A)
 &rst
  ixpk= 1349, nxpk= 25, iat= 837, 842, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HB2          53 LYS  HB3         5.50    (#   1350:25  Preassigned    3.14, 3.80 A)
 &rst
  ixpk= 1350, nxpk= 25, iat= 907, 842, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 LYS  HN           53 LYS  HB3         4.50    (#   1351:25  Preassigned    2.15, 2.20 A)
 &rst
  ixpk= 1351, nxpk= 25, iat= 859, 842, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  QE           53 LYS  HB3         5.50    (#   1352:25  Preassigned    4.18, 4.50 A)
 &rst
  ixpk= 1352, nxpk= 25, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#   53 LYS  HG-          53 LYS  HB3         4.50    (#   1353:25  Preassigned    2.48, 2.77 A)
 &rst
  ixpk= 1353, nxpk= 25, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 844, 845,
 &end
#
#   35 BTL  H5           37 GLU  HG-         5.50    (#   1354:25  Preassigned    2.26, 4.71 A)
 &rst
  ixpk= 1354, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   30 ILE  QG2          37 GLU  HG-         5.50    (#   1355:25  Preassigned    2.97, 6.26 A)
 &rst
  ixpk= 1355, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 438, 439, 440,
 igr2= 587, 588,
 &end
#
#   38 ILE  HN           37 GLU  HG-         5.50    (#   1356:25  Preassigned    3.28, 4.83 A)
 &rst
  ixpk= 1356, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   37 GLU  HN           37 GLU  HG-         5.50    (#   1357:25  Preassigned    2.26, 3.21 A)
 &rst
  ixpk= 1357, nxpk= 25, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   37 GLU  HA           37 GLU  HG-         4.50    (#   1358:25  Preassigned    2.59, 3.49 A)
 &rst
  ixpk= 1358, nxpk= 25, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 587, 588,
 &end
#
#   35 BTL  H63          37 GLU  HG-         5.50    (#   1359:25  Preassigned    2.52, 4.52 A)
 &rst
  ixpk= 1359, nxpk= 25, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   37 GLU  QB           37 GLU  HG-         2.80    (#   1361:25  Preassigned    2.26, 2.73 A)
 &rst
  ixpk= 1361, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 584, 585,
 igr2= 587, 588,
 &end
#
#   35 BTL  H5           37 GLU  HG-         5.50    (#   1362:25  Preassigned    2.26, 4.71 A)
 &rst
  ixpk= 1362, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#    5 ILE  QD1          53 LYS  HB2         5.50    (#   1363:25  Preassigned    4.04, 5.96 A)
 &rst
  ixpk= 1363, nxpk= 25, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  58,  59,  60,
 &end
#
#   53 LYS  HD-          53 LYS  HB2         5.50    (#   1364:25  Preassigned    3.62, 3.74 A)
 &rst
  ixpk= 1364, nxpk= 25, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#   65 LEU  QD+          53 LYS  HB2         4.50    (#   1365:25  Preassigned    2.44, 4.85 A)
 &rst
  ixpk= 1365, nxpk= 25, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#   53 LYS  HN           53 LYS  HB2         4.50    (#   1366:25  Preassigned    2.73, 2.80 A)
 &rst
  ixpk= 1366, nxpk= 25, iat= 837, 841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HD+          53 LYS  HB2         5.50    (#   1367:25  Preassigned    3.62, 3.74 A)
 &rst
  ixpk= 1367, nxpk= 25, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#   35 BTL  HA           32 GLU  HG+         5.50    (#   1368:25  Preassigned    2.59, 3.34 A)
 &rst
  ixpk= 1368, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#   12 TRP  HB2          32 GLU  HG+         5.50    (#   1369:25  Preassigned    4.44, 4.81 A)
 &rst
  ixpk= 1369, nxpk= 25, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#    0 AMB  25-3:1370     0 AMB  25-1:1370   5.50    (#   1370:25  Double Ambig)
 &rst
  ixpk= 1370, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 537, 540, 542,
 igr2= 477, 478, 477, 478, 477, 478,
 &end
#
#   35 BTL  HN           32 GLU  HG+         5.50    (#   1371:25  Preassigned    1.94, 2.82 A)
 &rst
  ixpk= 1371, nxpk= 25, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#   32 GLU  HA           32 GLU  HG+         5.50    (#   1372:25  Preassigned    2.64, 3.13 A)
 &rst
  ixpk= 1372, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#    0 AMB  25-3:1373     0 AMB  25-1:1373   4.50    (#   1373:25  Double Ambig)
 &rst
  ixpk= 1373, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 545, 559,
 igr2= 477, 478, 477, 478,
 &end
#
#   32 GLU  HB3          32 GLU  HG+         2.80    (#   1374:25  Preassigned    2.70, 2.86 A)
 &rst
  ixpk= 1374, nxpk= 25, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 477, 478,
 &end
#
#   32 GLU  HB2          32 GLU  HG+         3.50    (#   1376:25  Preassigned    2.22, 2.49 A)
 &rst
  ixpk= 1376, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 477, 478,
 &end
#
#   35 BTL  H92          32 GLU  HG+         5.50    (#   1377:25  Preassigned    4.24, 6.21 A)
 &rst
  ixpk= 1377, nxpk= 25, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#   33 SER  HN           32 GLU  HG-         5.50    (#   1378:25  Preassigned    2.35, 3.35 A)
 &rst
  ixpk= 1378, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#   32 GLU  HA           32 GLU  HG-         4.50    (#   1379:25  Preassigned    2.64, 3.13 A)
 &rst
  ixpk= 1379, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 477, 478,
 &end
#
#   35 BTL  HN           32 GLU  HG-         4.50    (#   1381:25  Preassigned    1.94, 2.82 A)
 &rst
  ixpk= 1381, nxpk= 25, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 477, 478,
 &end
#
#   36 MET  HN           32 GLU  HG-         5.50    (#   1382:25  Preassigned    3.43, 4.36 A)
 &rst
  ixpk= 1382, nxpk= 25, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 477, 478,
 &end
#
#   35 BTL  HA           32 GLU  HG-         4.50    (#   1383:25  Preassigned    2.59, 3.34 A)
 &rst
  ixpk= 1383, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 477, 478,
 &end
#
#    0 AMB  25-3:1384    32 GLU  HG-         5.50    (#   1384:25  Single Ambig)
 &rst
  ixpk= 1384, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 545, 559,
 igr2= 477, 478,
 &end
#
#   32 GLU  HB3          32 GLU  HG-         4.50    (#   1385:25  Preassigned    2.70, 2.86 A)
 &rst
  ixpk= 1385, nxpk= 25, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 477, 478,
 &end
#
#   32 GLU  HB2          32 GLU  HG-         3.50    (#   1386:25  Preassigned    2.22, 2.49 A)
 &rst
  ixpk= 1386, nxpk= 25, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 477, 478,
 &end
#
#    0 AMB  25-3:1387    32 GLU  HG-         5.50    (#   1387:25  Single Ambig)
 &rst
  ixpk= 1387, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 537, 540, 542,
 igr2= 477, 478,
 &end
#
#    0 AMB  25-3:1388    50 GLU  HG-         5.50    (#   1388:25  Single Ambig)
 &rst
  ixpk= 1388, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 817, 801,
 igr2= 791, 792,
 &end
#
#   18 ALA  HN           17 LYS  QB          4.50    (#   1390:25  Preassigned    2.39, 3.18 A)
 &rst
  ixpk= 1390, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 247, 248,
 &end
#
#   17 LYS  HA           17 LYS  QB          2.80    (#   1391:25  Preassigned    2.37, 2.65 A)
 &rst
  ixpk= 1391, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 247, 248,
 &end
#
#   17 LYS  QE           17 LYS  QB          5.50    (#   1392:25  Preassigned    2.11, 3.24 A)
 &rst
  ixpk= 1392, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 256, 257,
 igr2= 247, 248,
 &end
#
#   17 LYS  HG+          17 LYS  QB          2.80    (#   1393:25  Preassigned    2.40, 2.77 A)
 &rst
  ixpk= 1393, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 250, 251,
 igr2= 247, 248,
 &end
#
#   17 LYS  HG-          17 LYS  QB          2.80    (#   1394:25  Preassigned    2.40, 2.77 A)
 &rst
  ixpk= 1394, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 250, 251,
 igr2= 247, 248,
 &end
#
#   17 LYS  HN           17 LYS  QB          4.50    (#   1395:25  Preassigned    2.77, 3.52 A)
 &rst
  ixpk= 1395, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 247, 248,
 &end
#
#    0 AMB  25-3:1397    17 LYS  QB          5.50    (#   1397:25  Single Ambig)
 &rst
  ixpk= 1397, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 809, 810, 811, 237, 238, 239,
 igr2= 247, 248,
 &end
#
#   17 VAL  HB           16 LYS  QB          7.00    (#   1398:25  Preassigned    5.24, 5.73 A)
 &rst
  ixpk= 1398, nxpk= 25, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 247, 248,
 &end
#
#   51 VAL  HN           50 GLU  HG+         5.50    (#   1399:25  Preassigned    2.13, 2.87 A)
 &rst
  ixpk= 1399, nxpk= 25, iat= 799,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 792,
 &end
#
#   52 LYS  QD           50 GLU  HG+         5.50    (#   1400:25  Preassigned    2.55, 4.50 A)
 &rst
  ixpk= 1400, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 825, 826,
 igr2= 791, 792,
 &end
#
#    0 AMB  25-3:1401     0 AMB  25-1:1401   5.50    (#   1401:25  Double Ambig)
 &rst
  ixpk= 1401, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 269, 270, 271, 769, 770,
 igr2= 791, 792, 791, 792,
 &end
#
#   50 GLU  HA           50 GLU  HG+         5.50    (#   1402:25  Preassigned    2.32, 2.86 A)
 &rst
  ixpk= 1402, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 792,
 &end
#
#   52 LYS  QD           50 GLU  HG+         5.50    (#   1404:25  Preassigned    2.55, 4.50 A)
 &rst
  ixpk= 1404, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 825, 826,
 igr2= 791, 792,
 &end
#
#   50 LYS  HD-          49 GLU  HG-         5.50    (#   1405:25  Unique         5.68, 7.12 A)
 &rst
  ixpk= 1405, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 772, 773,
 igr2= 791, 792,
 &end
#
#   52 LYS  HG-          50 GLU  HG-         5.50    (#   1406:25  Preassigned    3.75, 5.85 A)
 &rst
  ixpk= 1406, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 822, 823,
 igr2= 791, 792,
 &end
#
#   51 VAL  HN           50 GLU  HG-         5.50    (#   1407:25  Preassigned    2.13, 2.87 A)
 &rst
  ixpk= 1407, nxpk= 25, iat= 799,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 792,
 &end
#
#   50 GLU  HA           50 GLU  HG-         5.50    (#   1408:25  Preassigned    2.32, 2.86 A)
 &rst
  ixpk= 1408, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 792,
 &end
#
#   50 GLU  HB3          50 GLU  HG-         3.50    (#   1410:25  Preassigned    2.38, 2.68 A)
 &rst
  ixpk= 1410, nxpk= 25, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 791, 792,
 &end
#
#   52 LYS  QD           50 GLU  HG-         5.50    (#   1411:25  Preassigned    2.55, 4.50 A)
 &rst
  ixpk= 1411, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 825, 826,
 igr2= 791, 792,
 &end
#
#    0 AMB  25-3:1412    50 GLU  HG-         5.50    (#   1412:25  Single Ambig)
 &rst
  ixpk= 1412, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 269, 270, 271, 769, 770,
 igr2= 791, 792,
 &end
#
#   57 ASP  HN           54 LYS  QB          5.50    (#   1413:25  Preassigned    5.11, 5.54 A)
 &rst
  ixpk= 1413, nxpk= 25, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 863, 864,
 &end
#
#   54 LYS  HA           53 LYS  QB          5.50    (#   1414:25  Preassigned    4.30, 5.07 A)
 &rst
  ixpk= 1414, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 863, 864,
 &end
#
#   55 GLU  HG+          54 LYS  QB          5.50    (#   1415:25  Preassigned    4.97, 6.23 A)
 &rst
  ixpk= 1415, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 888, 889,
 igr2= 863, 864,
 &end
#
#    0 AMB  25-3:1416    54 LYS  QB          5.50    (#   1416:25  Single Ambig)
 &rst
  ixpk= 1416, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 198, 803,
 igr2= 863, 864,
 &end
#
#   23 GLU  HB2          23 GLU  HG+         2.80    (#   1417:25  Preassigned    2.29, 2.74 A)
 &rst
  ixpk= 1417, nxpk= 25, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 337, 338,
 &end
#
#    0 AMB  25-3:1418     0 AMB  25-1:1418   5.50    (#   1418:25  Double Ambig)
 &rst
  ixpk= 1418, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 330, 374, 709, 720,
 igr2= 337, 338, 337, 338, 337, 338, 337, 338,
 &end
#
#   26 GLN  HG+          23 GLU  HG+         7.00    (#   1420:25  Preassigned    5.93, 7.46 A)
 &rst
  ixpk= 1420, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 381, 382,
 igr2= 337, 338,
 &end
#
#    0 AMB  25-3:1421     0 AMB  25-1:1421   2.80    (#   1421:25  Double Ambig)
 &rst
  ixpk= 1421, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 335,1058,
 igr2= 337, 338, 337, 338,1060,1061,
 &end
#
#   67 GLU  HA           67 GLU  HG+         5.50    (#   1422:25  Preassigned    2.43, 3.09 A)
 &rst
  ixpk= 1422, nxpk= 25, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1060,1061,
 &end
#
#   67 GLU  HN           67 GLU  HG+         5.50    (#   1423:25  Preassigned    4.36, 4.67 A)
 &rst
  ixpk= 1423, nxpk= 25, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1060,1061,
 &end
#
#    0 AMB  25-3:1425     0 AMB  25-1:1425   5.50    (#   1425:25  Double Ambig)
 &rst
  ixpk= 1425, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 772, 773, 766, 350,
 igr2=1060,1061,1060,1061, 337, 338,
 &end
#
#   49 LYS  HB3          67 GLU  HG+         5.50    (#   1426:25  Unique         2.22, 3.46 A)
 &rst
  ixpk= 1426, nxpk= 25, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1060,1061,
 &end
#
#    0 AMB  25-3:1427     0 AMB  25-1:1427   5.50    (#   1427:25  Double Ambig)
 &rst
  ixpk= 1427, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 822, 823, 321, 322,
 igr2=1060,1061, 337, 338, 337, 338,
 &end
#
#    0 AMB  25-3:1428    23 GLU  HG-         5.50    (#   1428:25  Single Ambig)
 &rst
  ixpk= 1428, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 330, 374, 709, 720,
 igr2= 337, 338,
 &end
#
#    0 AMB  25-3:1430    67 GLU  HG-         5.50    (#   1430:25  Single Ambig)
 &rst
  ixpk= 1430, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 775, 776, 828, 829,
 igr2=1060,1061,
 &end
#
#    0 AMB  25-3:1431     0 AMB  25-1:1431   5.50    (#   1431:25  Double Ambig)
 &rst
  ixpk= 1431, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 987,  98,
 igr2= 972, 973, 972, 973,
 &end
#
#   62 GLY  HN           61 GLU  HG+         5.50    (#   1432:25  Preassigned    3.25, 3.48 A)
 &rst
  ixpk= 1432, nxpk= 25, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#   61 GLU  HN           61 GLU  HG+         5.50    (#   1433:25  Preassigned    4.34, 4.44 A)
 &rst
  ixpk= 1433, nxpk= 25, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#    7 MET  HA           61 GLU  HG+         5.50    (#   1434:25  Preassigned    3.66, 4.61 A)
 &rst
  ixpk= 1434, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#    6 GLN  HA           61 GLU  HG+         5.50    (#   1435:25  Preassigned    2.48, 3.26 A)
 &rst
  ixpk= 1435, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#   61 GLU  HA           61 GLU  HG+         5.50    (#   1436:25  Preassigned    2.48, 2.80 A)
 &rst
  ixpk= 1436, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#   61 GLU  HB3          61 GLU  HG+         2.80    (#   1437:25  Preassigned    2.51, 2.79 A)
 &rst
  ixpk= 1437, nxpk= 25, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 972, 973,
 &end
#
#   61 GLU  HN           61 GLU  HG-         4.50    (#   1438:25  Preassigned    4.34, 4.44 A)
 &rst
  ixpk= 1438, nxpk= 25, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 972, 973,
 &end
#
#   49 LYS  HB3          67 GLU  HG-         5.50    (#   1439:25  Preassigned    2.22, 3.46 A)
 &rst
  ixpk= 1439, nxpk= 25, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1060,1061,
 &end
#
#   52 LYS  HG+          67 GLU  HG-         5.50    (#   1440:25  Preassigned    5.10, 6.28 A)
 &rst
  ixpk= 1440, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 822, 823,
 igr2=1060,1061,
 &end
#
#   67 GLU  HA           67 GLU  HG-         5.50    (#   1442:25  Preassigned    2.43, 3.09 A)
 &rst
  ixpk= 1442, nxpk= 25, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1060,1061,
 &end
#
#    0 AMB  25-3:1443     0 AMB  25-1:1443   4.50    (#   1443:25  Double Ambig)
 &rst
  ixpk= 1443, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  69, 791, 792,  85,  86,
 igr2= 972, 973,1060,1061,
 &end
#
#   62 GLY  HN           61 GLU  HG-         5.50    (#   1444:25  Preassigned    3.25, 3.48 A)
 &rst
  ixpk= 1444, nxpk= 25, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#    6 GLN  HA           61 GLU  HG-         5.50    (#   1445:25  Preassigned    2.48, 3.26 A)
 &rst
  ixpk= 1445, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#   61 GLU  HA           61 GLU  HG-         5.50    (#   1446:25  Preassigned    2.48, 2.80 A)
 &rst
  ixpk= 1446, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#   61 GLU  HB3          61 GLU  HG-         2.80    (#   1447:25  Preassigned    2.51, 2.79 A)
 &rst
  ixpk= 1447, nxpk= 25, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 972, 973,
 &end
#
#    0 AMB  25-3:1448    61 GLU  HG-         5.50    (#   1448:25  Single Ambig)
 &rst
  ixpk= 1448, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 987,  98,
 igr2= 972, 973,
 &end
#
#    0 AMB  25-3:1449     0 AMB  25-1:1449   5.50    (#   1449:25  Double Ambig)
 &rst
  ixpk= 1449, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2=  85,  86,  85,  86,
 &end
#
#    7 MET  HN            7 MET  HB+         5.50    (#   1450:25  Preassigned    2.68, 3.10 A)
 &rst
  ixpk= 1450, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  85,  86,
 &end
#
#    8 ALA  HN            7 MET  HB+         5.50    (#   1451:25  Preassigned    2.88, 3.81 A)
 &rst
  ixpk= 1451, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  85,  86,
 &end
#
#    7 MET  HA            7 MET  HB+         4.50    (#   1453:25  Preassigned    2.41, 2.80 A)
 &rst
  ixpk= 1453, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  85,  86,
 &end
#
#    7 MET  QG            7 MET  HB+         4.50    (#   1454:25  Preassigned    2.37, 2.58 A)
 &rst
  ixpk= 1454, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  88,  89,
 igr2=  85,  86,
 &end
#
#    0 AMB  25-3:1455     0 AMB  25-1:1455   5.50    (#   1455:25  Double Ambig)
 &rst
  ixpk= 1455, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 775, 776, 828, 829,
 igr2=1060,1061,1060,1061,
 &end
#
#    7 GLN  HG-           6 MET  HB-         5.50    (#   1456:25  Preassigned    2.65, 4.13 A)
 &rst
  ixpk= 1456, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  71,  72,
 igr2=  85,  86,
 &end
#
#    0 AMB  25-3:1457     7 MET  HB-         5.50    (#   1457:25  Single Ambig)
 &rst
  ixpk= 1457, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  51,  52,  53, 601, 602, 603,
 igr2=  85,  86,
 &end
#
#    8 ALA  HN            7 MET  HB-         4.50    (#   1458:25  Preassigned    2.88, 3.81 A)
 &rst
  ixpk= 1458, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  85,  86,
 &end
#
#    7 MET  HA            7 MET  HB-         4.50    (#   1459:25  Preassigned    2.41, 2.80 A)
 &rst
  ixpk= 1459, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  85,  86,
 &end
#
#    7 MET  QG            7 MET  HB-         4.50    (#   1460:25  Preassigned    2.37, 2.58 A)
 &rst
  ixpk= 1460, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  88,  89,
 igr2=  85,  86,
 &end
#
#    0 AMB  25-3:1461     7 MET  HB-         5.50    (#   1461:25  Single Ambig)
 &rst
  ixpk= 1461, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2=  85,  86,
 &end
#
#    7 MET  HN            7 MET  HB-         5.50    (#   1462:25  Preassigned    2.68, 3.10 A)
 &rst
  ixpk= 1462, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  85,  86,
 &end
#
#    0 AMB  25-3:1463     7 MET  HB-         5.50    (#   1463:25  Single Ambig)
 &rst
  ixpk= 1463, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 574, 575, 576, 972, 973,
 igr2=  85,  86,
 &end
#
#    7 MET  QE            7 MET  HB-         4.50    (#   1464:25  Preassigned    2.36, 4.68 A)
 &rst
  ixpk= 1464, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  92,  93,  94,
 igr2=  85,  86,
 &end
#
#   54 LYS  HG+          54 LYS  QB          2.80    (#   1465:25  Preassigned    2.29, 2.73 A)
 &rst
  ixpk= 1465, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 866, 867,
 igr2= 863, 864,
 &end
#
#   54 LYS  HN           54 LYS  QB          4.50    (#   1466:25  Preassigned    3.35, 3.69 A)
 &rst
  ixpk= 1466, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 863, 864,
 &end
#
#   55 GLU  HN           54 LYS  QB          4.50    (#   1467:25  Preassigned    2.37, 3.15 A)
 &rst
  ixpk= 1467, nxpk= 25, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 863, 864,
 &end
#
#   54 LYS  HA           54 LYS  QB          2.80    (#   1468:25  Preassigned    2.31, 2.45 A)
 &rst
  ixpk= 1468, nxpk= 25, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 863, 864,
 &end
#
#   54 LYS  HG-          54 LYS  QB          3.50    (#   1469:25  Preassigned    2.29, 2.73 A)
 &rst
  ixpk= 1469, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 866, 867,
 igr2= 863, 864,
 &end
#
#   54 LYS  QE           54 LYS  QB          5.50    (#   1470:25  Preassigned    2.11, 4.29 A)
 &rst
  ixpk= 1470, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 873,
 igr2= 863, 864,
 &end
#
#   16 VAL  HN           16 VAL  HB          5.50    (#   1471:25  Preassigned    3.66, 3.69 A)
 &rst
  ixpk= 1471, nxpk= 25, iat= 227, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HB2          16 VAL  HB          5.50    (#   1472:25  Preassigned    4.64, 4.97 A)
 &rst
  ixpk= 1472, nxpk= 25, iat= 286, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  HN           16 VAL  HB          3.50    (#   1473:25  Preassigned    2.24, 2.55 A)
 &rst
  ixpk= 1473, nxpk= 25, iat= 243, 231, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1474    16 VAL  HB          7.00    (#   1474:25  Single Ambig)
 &rst
  ixpk= 1474, nxpk= 25, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 805, 806, 807, 200, 201, 202,
 &end
#
#   16 VAL  QG1          16 VAL  HB          3.50    (#   1475:25  Preassigned    2.42, 2.64 A)
 &rst
  ixpk= 1475, nxpk= 25, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 233, 234, 235,
 &end
#
#   48 VAL  QG2          16 VAL  HB          4.50    (#   1476:25  Preassigned    2.17, 3.33 A)
 &rst
  ixpk= 1476, nxpk= 25, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 756, 757, 758,
 &end
#
#   48 VAL  QG1          16 VAL  HB          5.50    (#   1477:25  Preassigned    2.74, 3.92 A)
 &rst
  ixpk= 1477, nxpk= 25, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#   16 VAL  HN           16 VAL  HB          5.50    (#   1478:25  Preassigned    3.66, 3.69 A)
 &rst
  ixpk= 1478, nxpk= 25, iat= 227, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  HA           16 VAL  HB          5.50    (#   1479:25  Unique         4.03, 4.15 A)
 &rst
  ixpk= 1479, nxpk= 25, iat= 245, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HB3          16 VAL  HB          4.50    (#   1480:25  Preassigned    3.47, 3.84 A)
 &rst
  ixpk= 1480, nxpk= 25, iat= 287, 231, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1481    16 VAL  HB          2.80    (#   1481:25  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 25, iat=  -1, 231, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 237, 238, 239,1043,1044,1045,1047,1048,1049,1043,
      1044,1045,1047,1048,1049, 809, 810, 811,
 &end
#
#    0 AMB  25-3:1482     0 AMB  25-1:1482   5.50    (#   1482:25  Double Ambig)
 &rst
  ixpk= 1482, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  51,  52,  53, 601, 602, 603,
 igr2=  85,  86,  85,  86,
 &end
#
#   16 VAL  HA           16 VAL  HB          3.50    (#   1483:25  Preassigned    2.53, 2.58 A)
 &rst
  ixpk= 1483, nxpk= 25, iat= 229, 231, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 ALA  HA           59 VAL  HB          5.50    (#   1484:25  Preassigned    5.36, 5.42 A)
 &rst
  ixpk= 1484, nxpk= 25, iat= 100, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HN           59 VAL  HB          4.50    (#   1485:25  Preassigned    2.39, 2.60 A)
 &rst
  ixpk= 1485, nxpk= 25, iat= 951, 939, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLY  HN           59 VAL  HB          5.50    (#   1486:25  Preassigned    4.69, 4.73 A)
 &rst
  ixpk= 1486, nxpk= 25, iat= 108, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 VAL  HA           59 VAL  HB          3.50    (#   1487:25  Preassigned    2.53, 2.57 A)
 &rst
  ixpk= 1487, nxpk= 25, iat= 937, 939, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 ASP  HB3          59 VAL  HB          5.50    (#   1488:25  Preassigned    2.85, 3.39 A)
 &rst
  ixpk= 1488, nxpk= 25, iat= 992, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HG1-         59 VAL  HB          5.50    (#   1489:25  Preassigned    2.15, 3.02 A)
 &rst
  ixpk= 1489, nxpk= 25, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#    5 ILE  QG2          59 VAL  HB          5.50    (#   1490:25  Preassigned    2.08, 3.23 A)
 &rst
  ixpk= 1490, nxpk= 25, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#   59 VAL  QG1          59 VAL  HB          2.80    (#   1491:25  Preassigned    2.40, 2.63 A)
 &rst
  ixpk= 1491, nxpk= 25, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 941, 942, 943,
 &end
#
#   59 VAL  QG2          59 VAL  HB          3.50    (#   1492:25  Preassigned    2.43, 2.65 A)
 &rst
  ixpk= 1492, nxpk= 25, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 945, 946, 947,
 &end
#
#    0 AMB  25-3:1493    59 VAL  HB          5.50    (#   1493:25  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 25, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 138, 139, 140, 142, 143, 144,
 &end
#
#   59 VAL  HN           59 VAL  HB          5.50    (#   1494:25  Preassigned    3.74, 3.77 A)
 &rst
  ixpk= 1494, nxpk= 25, iat= 935, 939, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HG1+         36 MET  HB3         5.50    (#   1495:25  Preassigned    3.64, 4.02 A)
 &rst
  ixpk= 1495, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   73 GLN  HB+          73 GLN  QG          2.80    (#   1496:25  Preassigned    2.34, 2.74 A)
 &rst
  ixpk= 1496, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1141,1142,
 igr2=1144,1145,
 &end
#
#   36 MET  HG-          36 MET  HB2         4.50    (#   1497:25  Preassigned    2.49, 2.77 A)
 &rst
  ixpk= 1497, nxpk= 25, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 570, 571,
 &end
#
#    0 AMB  25-3:1498    36 MET  HB2         5.50    (#   1498:25  Single Ambig)
 &rst
  ixpk= 1498, nxpk= 25, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 485, 580,
 &end
#
#   36 MET  HN           36 MET  HB2         4.50    (#   1499:25  Preassigned    2.48, 2.54 A)
 &rst
  ixpk= 1499, nxpk= 25, iat= 563, 567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HA           36 MET  HB2         4.50    (#   1500:25  Preassigned    3.04, 3.04 A)
 &rst
  ixpk= 1500, nxpk= 25, iat= 565, 567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HG+          36 MET  HB2         4.50    (#   1501:25  Preassigned    2.49, 2.77 A)
 &rst
  ixpk= 1501, nxpk= 25, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 570, 571,
 &end
#
#   38 ILE  HG1+         36 MET  HB2         5.50    (#   1503:25  Preassigned    3.36, 4.15 A)
 &rst
  ixpk= 1503, nxpk= 25, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   38 ILE  QD1          36 MET  HB2         4.50    (#   1504:25  Preassigned    2.96, 4.65 A)
 &rst
  ixpk= 1504, nxpk= 25, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 608, 609, 610,
 &end
#
#   37 GLU  HN           36 MET  HB3         4.50    (#   1505:25  Preassigned    2.35, 2.62 A)
 &rst
  ixpk= 1505, nxpk= 25, iat= 580, 568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HA           36 MET  HB3         4.50    (#   1506:25  Preassigned    2.44, 2.44 A)
 &rst
  ixpk= 1506, nxpk= 25, iat= 565, 568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HG+          36 MET  HB3         4.50    (#   1507:25  Preassigned    2.44, 2.76 A)
 &rst
  ixpk= 1507, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 570, 571,
 &end
#
#   36 MET  HG-          36 MET  HB3         4.50    (#   1508:25  Preassigned    2.44, 2.76 A)
 &rst
  ixpk= 1508, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 570, 571,
 &end
#
#   36 MET  HN           36 MET  HB3         5.50    (#   1510:25  Preassigned    3.64, 3.69 A)
 &rst
  ixpk= 1510, nxpk= 25, iat= 563, 568, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  QD1          36 MET  HB3         5.50    (#   1511:25  Preassigned    3.46, 5.08 A)
 &rst
  ixpk= 1511, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#   38 ILE  HG1+         36 MET  HB3         5.50    (#   1512:25  Preassigned    3.64, 4.02 A)
 &rst
  ixpk= 1512, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   38 ILE  HG1-         36 MET  HB3         5.50    (#   1513:25  Preassigned    3.64, 4.02 A)
 &rst
  ixpk= 1513, nxpk= 25, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   50 GLU  HN           50 GLU  HB2         5.50    (#   1514:25  Preassigned    2.88, 3.17 A)
 &rst
  ixpk= 1514, nxpk= 25, iat= 784, 788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HA           50 GLU  HB2         4.50    (#   1515:25  Preassigned    2.54, 2.63 A)
 &rst
  ixpk= 1515, nxpk= 25, iat= 786, 788, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1516    50 GLU  HB2         5.50    (#   1516:25  Single Ambig)
 &rst
  ixpk= 1516, nxpk= 25, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 801, 817,
 &end
#
#   50 GLU  HG+          50 GLU  HB2         3.50    (#   1517:25  Preassigned    2.32, 2.75 A)
 &rst
  ixpk= 1517, nxpk= 25, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 791, 792,
 &end
#
#   52 LYS  HG-          50 GLU  HB2         5.50    (#   1518:25  Preassigned    5.25, 6.33 A)
 &rst
  ixpk= 1518, nxpk= 25, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   51 VAL  HN           50 GLU  HB2         5.50    (#   1519:25  Preassigned    4.03, 4.16 A)
 &rst
  ixpk= 1519, nxpk= 25, iat= 799, 788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 LYS  HG-          49 GLU  HB2         5.50    (#   1521:25  Preassigned    2.24, 3.80 A)
 &rst
  ixpk= 1521, nxpk= 25, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 769, 770,
 &end
#
#   27 GLU  HA           41 VAL  HB          5.50    (#   1522:25  Preassigned    3.65, 3.71 A)
 &rst
  ixpk= 1522, nxpk= 25, iat= 393, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1523    41 VAL  HB          7.00    (#   1523:25  Single Ambig)
 &rst
  ixpk= 1523, nxpk= 25, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 396, 618, 619,
 &end
#
#    0 AMB  25-3:1524    41 VAL  HB          4.50    (#   1524:25  Single Ambig)
 &rst
  ixpk= 1524, nxpk= 25, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 663, 647,
 &end
#
#   41 VAL  HA           41 VAL  HB          4.50    (#   1525:25  Preassigned    2.42, 2.43 A)
 &rst
  ixpk= 1525, nxpk= 25, iat= 649, 651, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 GLY  HA+          41 VAL  HB          5.50    (#   1526:25  Preassigned    2.34, 3.22 A)
 &rst
  ixpk= 1526, nxpk= 25, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 369, 370,
 &end
#
#   25 GLY  HA-          41 VAL  HB          5.50    (#   1527:25  Preassigned    2.34, 3.22 A)
 &rst
  ixpk= 1527, nxpk= 25, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 369, 370,
 &end
#
#   50 GLU  HA           50 GLU  HB3         4.50    (#   1528:25  Preassigned    2.97, 3.04 A)
 &rst
  ixpk= 1528, nxpk= 25, iat= 786, 789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 LYS  HG-          49 GLU  HB3         5.50    (#   1529:25  Preassigned    3.63, 5.12 A)
 &rst
  ixpk= 1529, nxpk= 25, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 769, 770,
 &end
#
#   50 GLU  HG+          50 GLU  HB3         4.50    (#   1530:25  Preassigned    2.38, 2.68 A)
 &rst
  ixpk= 1530, nxpk= 25, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 791, 792,
 &end
#
#   67 GLU  HG+          50 GLU  HB3         5.50    (#   1532:25  Preassigned    3.53, 4.74 A)
 &rst
  ixpk= 1532, nxpk= 25, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1060,1061,
 &end
#
#   22 ILE  HN           21 GLN  HG-         5.50    (#   1533:25  Preassigned    2.60, 3.70 A)
 &rst
  ixpk= 1533, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#   21 GLN  HA           21 GLN  HG-         4.50    (#   1534:25  Preassigned    2.47, 3.45 A)
 &rst
  ixpk= 1534, nxpk= 25, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 301, 302,
 &end
#
#   21 GLN  QB           21 GLN  HG-         2.80    (#   1535:25  Preassigned    2.28, 2.62 A)
 &rst
  ixpk= 1535, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 298, 299,
 igr2= 301, 302,
 &end
#
#   47 ILE  HG1+         21 GLN  HG-         5.50    (#   1536:25  Preassigned    2.91, 5.53 A)
 &rst
  ixpk= 1536, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 737, 738,
 igr2= 301, 302,
 &end
#
#   29 ALA  QB           14 VAL  HB          5.50    (#   1537:25  Unique         4.96, 5.81 A)
 &rst
  ixpk= 1537, nxpk= 25, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 426, 427, 428,
 &end
#
#   22 ILE  HN           21 GLN  HG+         5.50    (#   1538:25  Preassigned    2.60, 3.70 A)
 &rst
  ixpk= 1538, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#   21 GLN  HE21         21 GLN  HG+         5.50    (#   1539:25  Preassigned    2.30, 3.64 A)
 &rst
  ixpk= 1539, nxpk= 25, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#   21 GLN  HN           21 GLN  HG+         5.50    (#   1540:25  Preassigned    4.35, 4.55 A)
 &rst
  ixpk= 1540, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#   21 GLN  QB           21 GLN  HG+         2.80    (#   1541:25  Preassigned    2.28, 2.62 A)
 &rst
  ixpk= 1541, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 298, 299,
 igr2= 301, 302,
 &end
#
#   47 ILE  QD1          21 GLN  HG+         5.50    (#   1542:25  Preassigned    2.37, 5.49 A)
 &rst
  ixpk= 1542, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 740, 741, 742,
 igr2= 301, 302,
 &end
#
#   21 GLN  HA           21 GLN  HG+         4.50    (#   1543:25  Preassigned    2.47, 3.45 A)
 &rst
  ixpk= 1543, nxpk= 25, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 301, 302,
 &end
#
#   47 ILE  HG1+         21 GLN  HG+         5.50    (#   1544:25  Preassigned    2.91, 5.53 A)
 &rst
  ixpk= 1544, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 737, 738,
 igr2= 301, 302,
 &end
#
#   21 GLN  HN           21 GLN  HG-         5.50    (#   1545:25  Preassigned    4.35, 4.55 A)
 &rst
  ixpk= 1545, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#   55 GLU  HG+          14 VAL  HB          5.50    (#   1546:25  Preassigned    2.59, 3.52 A)
 &rst
  ixpk= 1546, nxpk= 25, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 888, 889,
 &end
#
#   23 GLU  HB3          21 GLN  HG-         7.00    (#   1547:25  Preassigned    5.11, 6.42 A)
 &rst
  ixpk= 1547, nxpk= 25, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 301, 302,
 &end
#
#   23 GLU  HB3          21 GLN  HG+         7.00    (#   1548:25  Preassigned    5.11, 6.42 A)
 &rst
  ixpk= 1548, nxpk= 25, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 301, 302,
 &end
#
#   50 LYS  HG+          49 GLU  HB2         5.50    (#   1549:25  Preassigned    2.24, 3.80 A)
 &rst
  ixpk= 1549, nxpk= 25, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 769, 770,
 &end
#
#    0 AMB  25-3:1550    50 GLU  HB2         5.50    (#   1550:25  Single Ambig)
 &rst
  ixpk= 1550, nxpk= 25, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 767, 825, 826,
 &end
#
#    0 AMB  25-3:1551    50 GLU  HB2         5.50    (#   1551:25  Single Ambig)
 &rst
  ixpk= 1551, nxpk= 25, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 772, 773, 766,
 &end
#
#   42 ALA  QB           41 VAL  HB          4.50    (#   1554:25  Preassigned    4.04, 4.96 A)
 &rst
  ixpk= 1554, nxpk= 25, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 667, 668, 669,
 &end
#
#   41 VAL  QG1          41 VAL  HB          2.80    (#   1555:25  Preassigned    2.45, 2.66 A)
 &rst
  ixpk= 1555, nxpk= 25, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 653, 654, 655,
 &end
#
#    0 AMB  25-3:1556    41 VAL  HB          7.00    (#   1556:25  Single Ambig)
 &rst
  ixpk= 1556, nxpk= 25, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 412, 413, 414, 634, 635, 636,
 &end
#
#   25 GLY  HN           41 VAL  HB          5.50    (#   1557:25  Preassigned    3.25, 3.39 A)
 &rst
  ixpk= 1557, nxpk= 25, iat= 367, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HG-          50 GLU  HB3         5.50    (#   1559:25  Preassigned    3.58, 4.60 A)
 &rst
  ixpk= 1559, nxpk= 25, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   52 LYS  QD           50 GLU  HB3         4.50    (#   1560:25  Preassigned    2.51, 3.88 A)
 &rst
  ixpk= 1560, nxpk= 25, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 825, 826,
 &end
#
#   51 VAL  HN           50 GLU  HB3         5.50    (#   1561:25  Preassigned    3.22, 3.65 A)
 &rst
  ixpk= 1561, nxpk= 25, iat= 799, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           50 GLU  HB3         5.50    (#   1562:25  Preassigned    2.89, 3.03 A)
 &rst
  ixpk= 1562, nxpk= 25, iat= 784, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HG+          49 LYS  HB2         2.80    (#   1563:25  Preassigned    2.37, 2.74 A)
 &rst
  ixpk= 1563, nxpk= 25, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 769, 770,
 &end
#
#   49 LYS  HN           49 LYS  HB2         4.50    (#   1564:25  Preassigned    2.57, 2.75 A)
 &rst
  ixpk= 1564, nxpk= 25, iat= 762, 766, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HN           49 LYS  HB2         5.50    (#   1565:25  Preassigned    3.75, 3.87 A)
 &rst
  ixpk= 1565, nxpk= 25, iat= 784, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HA           49 LYS  HB2         5.50    (#   1566:25  Preassigned    2.75, 3.26 A)
 &rst
  ixpk= 1566, nxpk= 25, iat=1089, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  QB           49 LYS  HB2         5.50    (#   1567:25  Preassigned    3.54, 4.37 A)
 &rst
  ixpk= 1567, nxpk= 25, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1091,1092,
 &end
#
#   49 LYS  HG-          49 LYS  HB2         4.50    (#   1569:25  Preassigned    2.37, 2.74 A)
 &rst
  ixpk= 1569, nxpk= 25, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 769, 770,
 &end
#
#   69 SER  HN           49 LYS  HB2         5.50    (#   1570:25  Preassigned    2.43, 2.94 A)
 &rst
  ixpk= 1570, nxpk= 25, iat=1087, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 LEU  HA           49 LYS  HB2         5.50    (#   1571:25  Preassigned    2.87, 3.21 A)
 &rst
  ixpk= 1571, nxpk= 25, iat=1070, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HA           49 LYS  HB2         4.50    (#   1572:25  Preassigned    2.45, 2.50 A)
 &rst
  ixpk= 1572, nxpk= 25, iat= 764, 766, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 VAL  HA           48 LYS  HB2         5.50    (#   1573:25  Preassigned    4.10, 4.60 A)
 &rst
  ixpk= 1573, nxpk= 25, iat= 748, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HN           49 LYS  HB3         4.50    (#   1574:25  Preassigned    2.40, 2.47 A)
 &rst
  ixpk= 1574, nxpk= 25, iat= 762, 767, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HN           49 LYS  HB3         5.50    (#   1575:25  Preassigned    2.45, 2.57 A)
 &rst
  ixpk= 1575, nxpk= 25, iat= 784, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HA           49 LYS  HB3         5.50    (#   1576:25  Preassigned    4.20, 4.64 A)
 &rst
  ixpk= 1576, nxpk= 25, iat=1089, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HA           49 LYS  HB3         4.50    (#   1577:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1577, nxpk= 25, iat= 764, 767, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 SER  QB           49 LYS  HB3         7.00    (#   1578:25  Preassigned    5.27, 6.05 A)
 &rst
  ixpk= 1578, nxpk= 25, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1091,1092,
 &end
#
#   67 GLU  HB2          49 LYS  HB3         5.50    (#   1579:25  Preassigned    4.52, 4.66 A)
 &rst
  ixpk= 1579, nxpk= 25, iat=1057, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HG-          49 LYS  HB3         3.50    (#   1581:25  Preassigned    2.43, 2.79 A)
 &rst
  ixpk= 1581, nxpk= 25, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 769, 770,
 &end
#
#    6 GLN  HN            6 GLN  HG+         5.50    (#   1582:25  Preassigned    2.06, 3.35 A)
 &rst
  ixpk= 1582, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    6 GLN  HA            6 GLN  HG+         5.50    (#   1583:25  Preassigned    3.75, 3.97 A)
 &rst
  ixpk= 1583, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    0 AMB  25-3:1585     0 AMB  25-1:1585   2.80    (#   1585:25  Double Ambig)
 &rst
  ixpk= 1585, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  69,  85,  86,
 igr2=  71,  72,  71,  72,
 &end
#
#    6 GLN  HE21          6 GLN  HG+         5.50    (#   1586:25  Preassigned    2.31, 3.79 A)
 &rst
  ixpk= 1586, nxpk= 25, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    6 GLN  HE22          6 GLN  HG+         5.50    (#   1587:25  Preassigned    2.22, 2.98 A)
 &rst
  ixpk= 1587, nxpk= 25, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    6 GLN  HE21          6 GLN  HG-         5.50    (#   1588:25  Preassigned    2.31, 3.79 A)
 &rst
  ixpk= 1588, nxpk= 25, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    7 MET  HN            6 GLN  HG-         5.50    (#   1589:25  Preassigned    3.44, 4.15 A)
 &rst
  ixpk= 1589, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    0 AMB  25-3:1590     0 AMB  25-1:1590   5.50    (#   1590:25  Double Ambig)
 &rst
  ixpk= 1590, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 307,  77,
 igr2= 301, 302,  71,  72,
 &end
#
#    6 GLN  HN            6 GLN  HG-         5.50    (#   1593:25  Preassigned    2.06, 3.35 A)
 &rst
  ixpk= 1593, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  71,  72,
 &end
#
#    6 GLN  HA            6 GLN  HG-         4.50    (#   1594:25  Preassigned    3.75, 3.97 A)
 &rst
  ixpk= 1594, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  71,  72,
 &end
#
#   14 LYS  HA           13 VAL  HB          5.50    (#   1595:25  Preassigned    4.34, 4.42 A)
 &rst
  ixpk= 1595, nxpk= 25, iat= 174, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HA           14 VAL  HB          5.50    (#   1596:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 1596, nxpk= 25, iat= 196, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  QG1          14 VAL  HB          2.80    (#   1597:25  Preassigned    2.45, 2.67 A)
 &rst
  ixpk= 1597, nxpk= 25, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 200, 201, 202,
 &end
#
#   14 VAL  QG2          14 VAL  HB          2.80    (#   1598:25  Preassigned    2.44, 2.67 A)
 &rst
  ixpk= 1598, nxpk= 25, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 204, 205, 206,
 &end
#
#   14 VAL  HN           14 VAL  HB          4.50    (#   1599:25  Preassigned    2.74, 2.78 A)
 &rst
  ixpk= 1599, nxpk= 25, iat= 194, 198, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HN           14 VAL  HB          5.50    (#   1600:25  Preassigned    3.95, 3.99 A)
 &rst
  ixpk= 1600, nxpk= 25, iat= 210, 198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HN            3 VAL  HB          5.50    (#   1601:25  Preassigned    2.77, 3.19 A)
 &rst
  ixpk= 1601, nxpk= 25, iat=1034,  22, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 VAL  HA            3 VAL  HB          5.50    (#   1602:25  Preassigned    3.01, 3.03 A)
 &rst
  ixpk= 1602, nxpk= 25, iat=  20,  22, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 VAL  QG1           3 VAL  HB          3.50    (#   1603:25  Preassigned    2.40, 2.65 A)
 &rst
  ixpk= 1603, nxpk= 25, iat=  -1,  22, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  24,  25,  26,
 &end
#
#   65 LEU  QD-           3 VAL  HB          5.50    (#   1604:25  Preassigned    2.75, 5.00 A)
 &rst
  ixpk= 1604, nxpk= 25, iat=  -1,  22, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#   16 VAL  HN           15 HID  HB3         5.50    (#   1605:25  Preassigned    4.49, 4.51 A)
 &rst
  ixpk= 1605, nxpk= 25, iat= 227, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 VAL  HA           14 HID  HB3         5.50    (#   1606:25  Preassigned    5.43, 5.44 A)
 &rst
  ixpk= 1606, nxpk= 25, iat= 196, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  QG1          15 HID  HB3         5.50    (#   1607:25  Preassigned    4.63, 5.70 A)
 &rst
  ixpk= 1607, nxpk= 25, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 233, 234, 235,
 &end
#
#   16 VAL  QG2          15 HID  HB3         5.50    (#   1608:25  Preassigned    5.49, 6.52 A)
 &rst
  ixpk= 1608, nxpk= 25, iat=  -1, 215, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 237, 238, 239,
 &end
#
#   15 HID  HN           15 HID  HB3         5.50    (#   1609:25  Preassigned    3.81, 3.82 A)
 &rst
  ixpk= 1609, nxpk= 25, iat= 210, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HD2          15 HID  HB3         5.50    (#   1610:25  Preassigned    3.77, 3.79 A)
 &rst
  ixpk= 1610, nxpk= 25, iat= 223, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HA           15 HID  HB3         3.50    (#   1611:25  Preassigned    2.45, 2.46 A)
 &rst
  ixpk= 1611, nxpk= 25, iat= 212, 215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 VAL  HA           15 HID  HB3         5.50    (#   1612:25  Preassigned    3.91, 3.99 A)
 &rst
  ixpk= 1612, nxpk= 25, iat= 408, 215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HN           15 HID  HB2         4.50    (#   1614:25  Preassigned    2.68, 2.72 A)
 &rst
  ixpk= 1614, nxpk= 25, iat= 210, 214, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 VAL  HN           15 HID  HB2         5.50    (#   1615:25  Preassigned    3.94, 3.98 A)
 &rst
  ixpk= 1615, nxpk= 25, iat= 227, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HD2          15 HID  HB2         5.50    (#   1616:25  Preassigned    2.65, 2.66 A)
 &rst
  ixpk= 1616, nxpk= 25, iat= 223, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HA           15 HID  HB2         4.50    (#   1617:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 1617, nxpk= 25, iat= 212, 214, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 VAL  HA           15 HID  HB2         5.50    (#   1618:25  Preassigned    2.45, 2.52 A)
 &rst
  ixpk= 1618, nxpk= 25, iat= 408, 214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  QG1          15 HID  HB2         5.50    (#   1620:25  Preassigned    3.70, 4.89 A)
 &rst
  ixpk= 1620, nxpk= 25, iat=  -1, 214, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 233, 234, 235,
 &end
#
#   34 MET  QB           34 MET  HG+         3.50    (#   1622:25  Preassigned    2.31, 2.60 A)
 &rst
  ixpk= 1622, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 500, 501,
 igr2= 503, 504,
 &end
#
#   39 PRO  HD-          39 PRO  HB+         5.50    (#   1623:25  Preassigned    2.89, 3.71 A)
 &rst
  ixpk= 1623, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 615, 616,
 igr2= 621, 622,
 &end
#
#   40 ILE  HN           39 PRO  HB+         5.50    (#   1624:25  Unique         2.78, 3.39 A)
 &rst
  ixpk= 1624, nxpk= 25, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 621, 622,
 &end
#
#   39 PRO  HA           39 PRO  HB+         3.50    (#   1625:25  Preassigned    2.33, 2.54 A)
 &rst
  ixpk= 1625, nxpk= 25, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 621, 622,
 &end
#
#   39 PRO  HD+          39 PRO  HB+         5.50    (#   1626:25  Preassigned    2.89, 3.71 A)
 &rst
  ixpk= 1626, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 615, 616,
 igr2= 621, 622,
 &end
#
#   39 PRO  HG-          39 PRO  HB+         3.50    (#   1627:25  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 1627, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 618, 619,
 igr2= 621, 622,
 &end
#
#   39 PRO  HG+          39 PRO  HB+         2.80    (#   1628:25  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 1628, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 618, 619,
 igr2= 621, 622,
 &end
#
#   30 ILE  HB           39 PRO  HB+         7.00    (#   1630:25  Preassigned    6.10, 6.63 A)
 &rst
  ixpk= 1630, nxpk= 25, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 621, 622,
 &end
#
#    0 AMB  25-3:1631     0 AMB  25-1:1631   5.50    (#   1631:25  Double Ambig)
 &rst
  ixpk= 1631, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 442, 443, 438, 439, 440, 445, 446, 447,
 igr2= 621, 622, 621, 622, 621, 622,
 &end
#
#   30 ILE  HA           39 PRO  HB+         5.50    (#   1632:25  Preassigned    4.54, 4.71 A)
 &rst
  ixpk= 1632, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 621, 622,
 &end
#
#   41 VAL  QG2          39 PRO  HB+         5.50    (#   1633:25  Preassigned    5.11, 6.89 A)
 &rst
  ixpk= 1633, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 657, 658, 659,
 igr2= 621, 622,
 &end
#
#   26 GLN  HE22         26 GLN  HG+         5.50    (#   1634:25  Preassigned    2.24, 2.93 A)
 &rst
  ixpk= 1634, nxpk= 25, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#   26 GLN  HA           26 GLN  HG+         4.50    (#   1635:25  Preassigned    2.51, 2.80 A)
 &rst
  ixpk= 1635, nxpk= 25, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 381, 382,
 &end
#
#   27 GLU  HN           26 GLN  HG+         5.50    (#   1636:25  Preassigned    2.39, 3.15 A)
 &rst
  ixpk= 1636, nxpk= 25, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#   26 GLN  HN           26 GLN  HG+         5.50    (#   1637:25  Preassigned    4.33, 4.46 A)
 &rst
  ixpk= 1637, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#   26 GLN  HE21         26 GLN  HG+         4.50    (#   1638:25  Preassigned    2.27, 3.76 A)
 &rst
  ixpk= 1638, nxpk= 25, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 381, 382,
 &end
#
#   26 GLN  HB3          26 GLN  HG+         3.50    (#   1640:25  Preassigned    2.47, 2.85 A)
 &rst
  ixpk= 1640, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 381, 382,
 &end
#
#   28 VAL  QG1          26 GLN  HG+         5.50    (#   1642:25  Preassigned    3.77, 5.58 A)
 &rst
  ixpk= 1642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 412, 413, 414,
 igr2= 381, 382,
 &end
#
#    0 AMB  25-3:1643    28 VAL  HB          5.50    (#   1643:25  Single Ambig)
 &rst
  ixpk= 1643, nxpk= 25, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 229, 212,
 &end
#
#   28 VAL  HA           28 VAL  HB          3.50    (#   1644:25  Preassigned    2.47, 2.48 A)
 &rst
  ixpk= 1644, nxpk= 25, iat= 408, 410, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 VAL  QG2          28 VAL  HB          2.80    (#   1645:25  Preassigned    2.44, 2.66 A)
 &rst
  ixpk= 1645, nxpk= 25, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 416, 417, 418,
 &end
#
#    0 AMB  25-3:1646    28 VAL  HB          3.50    (#   1646:25  Single Ambig)
 &rst
  ixpk= 1646, nxpk= 25, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049, 237, 238, 239,
 &end
#
#    0 AMB  25-3:1647    28 VAL  HB          2.80    (#   1647:25  Single Ambig)
 &rst
  ixpk= 1647, nxpk= 25, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 412, 413, 414,1024,1025,1026,1028,1029,1030,
 &end
#
#   29 ALA  QB           28 VAL  HB          5.50    (#   1648:25  Preassigned    4.22, 5.10 A)
 &rst
  ixpk= 1648, nxpk= 25, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 426, 427, 428,
 &end
#
#   26 GLN  HN           26 GLN  HG-         5.50    (#   1649:25  Preassigned    4.33, 4.46 A)
 &rst
  ixpk= 1649, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#   26 GLN  HA           26 GLN  HG-         5.50    (#   1650:25  Preassigned    2.51, 2.80 A)
 &rst
  ixpk= 1650, nxpk= 25, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#   27 GLU  HN           26 GLN  HG-         5.50    (#   1651:25  Preassigned    2.39, 3.15 A)
 &rst
  ixpk= 1651, nxpk= 25, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#   26 GLN  HB3          26 GLN  HG-         2.80    (#   1652:25  Preassigned    2.47, 2.85 A)
 &rst
  ixpk= 1652, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 381, 382,
 &end
#
#   26 GLN  HE21         26 GLN  HG-         4.50    (#   1653:25  Preassigned    2.27, 3.76 A)
 &rst
  ixpk= 1653, nxpk= 25, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 381, 382,
 &end
#
#   26 GLN  HE22         26 GLN  HG-         5.50    (#   1654:25  Preassigned    2.24, 2.93 A)
 &rst
  ixpk= 1654, nxpk= 25, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 381, 382,
 &end
#
#    0 AMB  25-3:1657    23 GLU  HB2         5.50    (#   1657:25  Single Ambig)
 &rst
  ixpk= 1657, nxpk= 25, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 345, 720, 374,
 &end
#
#    0 AMB  25-3:1659    23 GLU  HB2         2.80    (#   1659:25  Single Ambig)
 &rst
  ixpk= 1659, nxpk= 25, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 337, 338, 337, 338,
 &end
#
#   68 LEU  QD1          44 ARG  HB+         5.50    (#   1660:25  Preassigned    2.33, 5.04 A)
 &rst
  ixpk= 1660, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1077,1078,1079,
 igr2= 689, 690,
 &end
#
#   44 ARG  HN           44 ARG  HB+         5.50    (#   1661:25  Preassigned    2.72, 3.70 A)
 &rst
  ixpk= 1661, nxpk= 25, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 689, 690,
 &end
#
#   45 SER  HN           44 ARG  HB+         5.50    (#   1662:25  Preassigned    2.19, 3.24 A)
 &rst
  ixpk= 1662, nxpk= 25, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 689, 690,
 &end
#
#   44 ARG  HA           44 ARG  HB+         3.50    (#   1663:25  Preassigned    2.28, 2.51 A)
 &rst
  ixpk= 1663, nxpk= 25, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 689, 690,
 &end
#
#   44 ARG  QD           44 ARG  HB+         4.50    (#   1664:25  Preassigned    2.27, 3.35 A)
 &rst
  ixpk= 1664, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 695, 696,
 igr2= 689, 690,
 &end
#
#   44 ARG  HG+          44 ARG  HB+         3.50    (#   1666:25  Preassigned    2.25, 2.69 A)
 &rst
  ixpk= 1666, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 692, 693,
 igr2= 689, 690,
 &end
#
#   44 ARG  HG-          44 ARG  HB+         4.50    (#   1667:25  Preassigned    2.25, 2.69 A)
 &rst
  ixpk= 1667, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 692, 693,
 igr2= 689, 690,
 &end
#
#   64 VAL  HN           64 VAL  HB          4.50    (#   1668:25  Preassigned    3.59, 3.60 A)
 &rst
  ixpk= 1668, nxpk= 25, iat= 999,1003, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 LYS  HG+          64 VAL  HB          5.50    (#   1670:25  Preassigned    2.20, 3.07 A)
 &rst
  ixpk= 1670, nxpk= 25, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   64 VAL  QG2          64 VAL  HB          2.80    (#   1671:25  Preassigned    2.41, 2.66 A)
 &rst
  ixpk= 1671, nxpk= 25, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1009,1010,1011,
 &end
#
#   64 VAL  QG1          64 VAL  HB          2.80    (#   1672:25  Preassigned    2.42, 2.65 A)
 &rst
  ixpk= 1672, nxpk= 25, iat=  -1,1003, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1005,1006,1007,
 &end
#
#   64 VAL  HA           64 VAL  HB          5.50    (#   1673:25  Preassigned    2.50, 2.51 A)
 &rst
  ixpk= 1673, nxpk= 25, iat=1001,1003, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 VAL  QG2          44 ARG  HB+         5.50    (#   1674:25  Preassigned    2.56, 6.25 A)
 &rst
  ixpk= 1674, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  28,  29,  30,
 igr2= 689, 690,
 &end
#
#   40 ILE  HN           39 PRO  HB-         5.50    (#   1675:25  Unique         2.78, 3.39 A)
 &rst
  ixpk= 1675, nxpk= 25, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 621, 622,
 &end
#
#   39 PRO  HA           39 PRO  HB-         4.50    (#   1676:25  Preassigned    2.33, 2.54 A)
 &rst
  ixpk= 1676, nxpk= 25, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 621, 622,
 &end
#
#   39 PRO  HD+          39 PRO  HB-         5.50    (#   1677:25  Preassigned    2.89, 3.71 A)
 &rst
  ixpk= 1677, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 615, 616,
 igr2= 621, 622,
 &end
#
#   39 PRO  HG-          39 PRO  HB-         3.50    (#   1678:25  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 1678, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 618, 619,
 igr2= 621, 622,
 &end
#
#   41 VAL  HA           39 PRO  HB-         5.50    (#   1679:25  Preassigned    5.07, 6.02 A)
 &rst
  ixpk= 1679, nxpk= 25, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 621, 622,
 &end
#
#   39 PRO  HD-          39 PRO  HB-         4.50    (#   1680:25  Preassigned    2.89, 3.71 A)
 &rst
  ixpk= 1680, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 615, 616,
 igr2= 621, 622,
 &end
#
#   27 GLU  HG+          39 PRO  HB-         4.50    (#   1682:25  Preassigned    3.38, 4.59 A)
 &rst
  ixpk= 1682, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 398, 399,
 igr2= 621, 622,
 &end
#
#   41 VAL  QG2          39 PRO  HB-         3.50    (#   1683:25  Preassigned    5.11, 6.89 A)
 &rst
  ixpk= 1683, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 657, 658, 659,
 igr2= 621, 622,
 &end
#
#   39 PRO  HG+          39 PRO  HB-         2.80    (#   1684:25  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 1684, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 618, 619,
 igr2= 621, 622,
 &end
#
#    0 AMB  25-3:1686     0 AMB  25-1:1686   2.80    (#   1686:25  Double Ambig)
 &rst
  ixpk= 1686, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 337, 338, 337, 338,1060,1061, 378,
 igr2= 335,1058,
 &end
#
#    0 AMB  25-3:1688     0 AMB  25-1:1688   3.50    (#   1688:25  Double Ambig)
 &rst
  ixpk= 1688, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 709, 330,
 igr2= 689, 690, 335,
 &end
#
#   44 ARG  QD           44 ARG  HB-         5.50    (#   1689:25  Preassigned    2.27, 3.35 A)
 &rst
  ixpk= 1689, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 695, 696,
 igr2= 689, 690,
 &end
#
#   44 ARG  HG-          44 ARG  HB-         4.50    (#   1690:25  Preassigned    2.25, 2.69 A)
 &rst
  ixpk= 1690, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 692, 693,
 igr2= 689, 690,
 &end
#
#   68 LEU  QD1          44 ARG  HB-         5.50    (#   1691:25  Preassigned    2.33, 5.04 A)
 &rst
  ixpk= 1691, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1077,1078,1079,
 igr2= 689, 690,
 &end
#
#   44 ARG  HA           44 ARG  HB-         4.50    (#   1692:25  Preassigned    2.28, 2.51 A)
 &rst
  ixpk= 1692, nxpk= 25, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 689, 690,
 &end
#
#   44 ARG  HN           44 ARG  HB-         5.50    (#   1694:25  Preassigned    2.72, 3.70 A)
 &rst
  ixpk= 1694, nxpk= 25, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 689, 690,
 &end
#
#   34 MET  HN           34 MET  HG+         5.50    (#   1695:25  Preassigned    2.85, 3.67 A)
 &rst
  ixpk= 1695, nxpk= 25, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 503, 504,
 &end
#
#    0 AMB  25-3:1696     0 AMB  25-1:1696   5.50    (#   1696:25  Double Ambig)
 &rst
  ixpk= 1696, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 498, 110, 111,
 igr2= 503, 504, 503, 504,
 &end
#
#    0 AMB  25-3:1698    34 MET  HG-         5.50    (#   1698:25  Single Ambig)
 &rst
  ixpk= 1698, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 498, 110, 111,
 igr2= 503, 504,
 &end
#
#   34 MET  QB           34 MET  HG-         2.80    (#   1700:25  Preassigned    2.31, 2.60 A)
 &rst
  ixpk= 1700, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 500, 501,
 igr2= 503, 504,
 &end
#
#   34 MET  HN           34 MET  HG-         5.50    (#   1701:25  Preassigned    2.85, 3.67 A)
 &rst
  ixpk= 1701, nxpk= 25, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 503, 504,
 &end
#
#   67 GLU  HA           67 GLU  HB2         4.50    (#   1703:25  Preassigned    2.43, 2.49 A)
 &rst
  ixpk= 1703, nxpk= 25, iat=1055,1057, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  HN           67 GLU  HB2         5.50    (#   1704:25  Preassigned    3.97, 4.17 A)
 &rst
  ixpk= 1704, nxpk= 25, iat=1068,1057, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HN           67 GLU  HB2         5.50    (#   1705:25  Preassigned    2.98, 3.20 A)
 &rst
  ixpk= 1705, nxpk= 25, iat=1053,1057, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           67 GLU  HB2         5.50    (#   1706:25  Preassigned    4.14, 4.60 A)
 &rst
  ixpk= 1706, nxpk= 25, iat= 784,1057, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HG+          67 GLU  HB2         2.80    (#   1707:25  Preassigned    2.42, 2.75 A)
 &rst
  ixpk= 1707, nxpk= 25, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1060,1061,
 &end
#
#   52 LYS  HN            0 AMB  25-1:1708   5.50    (#   1708:25  Single Ambig)
 &rst
  ixpk= 1708, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 820,1057,
 &end
#
#   52 LYS  HE-           0 AMB  25-1:1709   5.50    (#   1709:25  Single Ambig)
 &rst
  ixpk= 1709, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 828, 829,
 igr2=1057, 820,
 &end
#
#    0 AMB  25-3:1711     0 AMB  25-1:1711   4.50    (#   1711:25  Double Ambig)
 &rst
  ixpk= 1711, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 847, 848, 772, 773, 766,
 igr2= 820,1057,
 &end
#
#   52 LYS  QD            0 AMB  25-1:1712   3.50    (#   1712:25  Single Ambig)
 &rst
  ixpk= 1712, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 825, 826,
 igr2=1057, 820,
 &end
#
#    0 AMB  25-3:1713     0 AMB  25-1:1713   3.50    (#   1713:25  Double Ambig)
 &rst
  ixpk= 1713, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 822, 823, 822, 823,
 igr2= 820,1057,
 &end
#
#   52 LYS  HA           52 LYS  HB3         3.50    (#   1714:25  Preassigned    2.42, 2.47 A)
 &rst
  ixpk= 1714, nxpk= 25, iat= 817, 820, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1715     0 AMB  25-1:1715   5.50    (#   1715:25  Double Ambig)
 &rst
  ixpk= 1715, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 828, 829, 828, 829,
 igr2=1057, 820,
 &end
#
#   52 LYS  HN           52 LYS  HB2         4.50    (#   1716:25  Preassigned    2.43, 2.48 A)
 &rst
  ixpk= 1716, nxpk= 25, iat= 815, 819, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HN           52 LYS  HB2         5.50    (#   1717:25  Preassigned    3.28, 3.60 A)
 &rst
  ixpk= 1717, nxpk= 25, iat= 837, 819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1718     0 AMB  25-1:1718   3.50    (#   1718:25  Double Ambig)
 &rst
  ixpk= 1718, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 822, 823, 822, 823,
 igr2= 819,1058,
 &end
#
#    0 AMB  25-3:1719     0 AMB  25-1:1719   5.50    (#   1719:25  Double Ambig)
 &rst
  ixpk= 1719, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1036,1070,
 igr2= 819,1058,
 &end
#
#    0 AMB  25-3:1720    52 LYS  HB2         4.50    (#   1720:25  Single Ambig)
 &rst
  ixpk= 1720, nxpk= 25, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 817, 801,
 &end
#
#    0 AMB  25-3:1721     0 AMB  25-1:1721   4.50    (#   1721:25  Double Ambig)
 &rst
  ixpk= 1721, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1005,1006,1007,1043,1044,1045,1047,1048,1049,
 igr2= 819,1058,
 &end
#
#   67 GLU  HN           67 GLU  HB3         4.50    (#   1722:25  Preassigned    2.60, 2.76 A)
 &rst
  ixpk= 1722, nxpk= 25, iat=1053,1058, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HN           67 GLU  HB3         5.50    (#   1723:25  Preassigned    2.58, 3.02 A)
 &rst
  ixpk= 1723, nxpk= 25, iat= 784,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HA           67 GLU  HB3         5.50    (#   1724:25  Preassigned    3.03, 3.05 A)
 &rst
  ixpk= 1724, nxpk= 25, iat=1055,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HE-          67 GLU  HB3         5.50    (#   1725:25  Preassigned    2.24, 3.80 A)
 &rst
  ixpk= 1725, nxpk= 25, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 828, 829,
 &end
#
#   68 LEU  HN           67 GLU  HB3         5.50    (#   1727:25  Preassigned    3.87, 4.02 A)
 &rst
  ixpk= 1727, nxpk= 25, iat=1068,1058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1728    24 LYS  HB3         3.50    (#   1728:25  Single Ambig)
 &rst
  ixpk= 1728, nxpk= 25, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 345, 709,
 &end
#
#   24 LYS  HA           24 LYS  HB3         4.50    (#   1730:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1730, nxpk= 25, iat= 347, 350, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  QG           24 LYS  HB3         3.50    (#   1732:25  Preassigned    2.40, 2.77 A)
 &rst
  ixpk= 1732, nxpk= 25, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 352, 353,
 &end
#
#   25 GLY  HN           24 LYS  HB3         5.50    (#   1733:25  Preassigned    4.13, 4.25 A)
 &rst
  ixpk= 1733, nxpk= 25, iat= 367, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HG-           0 AMB  25-1:1734   4.50    (#   1734:25  Single Ambig)
 &rst
  ixpk= 1734, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 822, 823,
 igr2= 820,1057,
 &end
#
#   25 GLY  HN           24 LYS  HB2         5.50    (#   1736:25  Preassigned    4.27, 4.32 A)
 &rst
  ixpk= 1736, nxpk= 25, iat= 367, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1738    24 LYS  HB2         4.50    (#   1738:25  Single Ambig)
 &rst
  ixpk= 1738, nxpk= 25, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 345, 709,
 &end
#
#   44 ARG  HA           24 LYS  HB2         4.50    (#   1739:25  Preassigned    2.21, 2.59 A)
 &rst
  ixpk= 1739, nxpk= 25, iat= 687, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  HA           24 LYS  HB2         4.50    (#   1740:25  Preassigned    2.43, 2.48 A)
 &rst
  ixpk= 1740, nxpk= 25, iat= 347, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  QG           24 LYS  HB2         2.80    (#   1742:25  Preassigned    2.42, 2.77 A)
 &rst
  ixpk= 1742, nxpk= 25, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 352, 353,
 &end
#
#   37 GLU  HN           36 MET  HG+         5.50    (#   1744:25  Preassigned    4.16, 4.65 A)
 &rst
  ixpk= 1744, nxpk= 25, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 570, 571,
 &end
#
#   36 MET  HN           36 MET  HG+         5.50    (#   1745:25  Preassigned    2.49, 3.23 A)
 &rst
  ixpk= 1745, nxpk= 25, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 570, 571,
 &end
#
#   36 MET  HA           36 MET  HG+         5.50    (#   1746:25  Preassigned    2.51, 2.86 A)
 &rst
  ixpk= 1746, nxpk= 25, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 570, 571,
 &end
#
#    0 AMB  25-3:1747     0 AMB  25-1:1747   4.50    (#   1747:25  Double Ambig)
 &rst
  ixpk= 1747, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 567, 517,
 igr2= 570, 571, 570, 571,
 &end
#
#   36 MET  HB3          36 MET  HG+         4.50    (#   1748:25  Preassigned    2.44, 2.76 A)
 &rst
  ixpk= 1748, nxpk= 25, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 570, 571,
 &end
#
#   38 ILE  QD1          36 MET  HG+         5.50    (#   1750:25  Preassigned    5.44, 7.08 A)
 &rst
  ixpk= 1750, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 608, 609, 610,
 igr2= 570, 571,
 &end
#
#   36 MET  HA           36 MET  HG-         4.50    (#   1751:25  Preassigned    2.51, 2.86 A)
 &rst
  ixpk= 1751, nxpk= 25, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 570, 571,
 &end
#
#   38 ILE  QD1          36 MET  HG-         5.50    (#   1752:25  Preassigned    5.44, 7.08 A)
 &rst
  ixpk= 1752, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 608, 609, 610,
 igr2= 570, 571,
 &end
#
#   37 GLU  HN           36 MET  HG-         5.50    (#   1753:25  Preassigned    4.16, 4.65 A)
 &rst
  ixpk= 1753, nxpk= 25, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 570, 571,
 &end
#
#   36 MET  HN           36 MET  HG-         5.50    (#   1754:25  Preassigned    2.49, 3.23 A)
 &rst
  ixpk= 1754, nxpk= 25, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 570, 571,
 &end
#
#   36 MET  HB3          36 MET  HG-         4.50    (#   1755:25  Preassigned    2.44, 2.76 A)
 &rst
  ixpk= 1755, nxpk= 25, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 570, 571,
 &end
#
#    0 AMB  25-3:1756    48 VAL  HB          5.50    (#   1756:25  Single Ambig)
 &rst
  ixpk= 1756, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 729, 296,
 &end
#
#   19 GLY  HN           48 VAL  HB          4.50    (#   1757:25  Preassigned    2.73, 2.96 A)
 &rst
  ixpk= 1757, nxpk= 25, iat= 275, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HN           48 VAL  HB          4.50    (#   1758:25  Preassigned    2.41, 2.53 A)
 &rst
  ixpk= 1758, nxpk= 25, iat= 282, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ALA  HA           48 VAL  HB          3.50    (#   1759:25  Preassigned    2.83, 3.07 A)
 &rst
  ixpk= 1759, nxpk= 25, iat= 267, 750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  QG1          48 VAL  HB          2.80    (#   1760:25  Preassigned    2.42, 2.67 A)
 &rst
  ixpk= 1760, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 752, 753, 754,
 &end
#
#   48 VAL  QG2          48 VAL  HB          3.50    (#   1761:25  Preassigned    2.45, 2.66 A)
 &rst
  ixpk= 1761, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 756, 757, 758,
 &end
#
#   48 VAL  HN           48 VAL  HB          4.50    (#   1762:25  Preassigned    2.36, 2.41 A)
 &rst
  ixpk= 1762, nxpk= 25, iat= 746, 750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  HA           51 VAL  HB          4.50    (#   1764:25  Preassigned    3.03, 3.04 A)
 &rst
  ixpk= 1764, nxpk= 25, iat= 801, 803, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HB3          32 GLU  HB3         5.50    (#   1765:25  Preassigned    4.11, 4.28 A)
 &rst
  ixpk= 1765, nxpk= 25, iat= 153, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 ALA  QB           48 VAL  HB          5.50    (#   1766:25  Unique         5.19, 5.60 A)
 &rst
  ixpk= 1766, nxpk= 25, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 269, 270, 271,
 &end
#
#   12 TRP  HB2          32 GLU  HB3         5.50    (#   1767:25  Preassigned    2.65, 2.79 A)
 &rst
  ixpk= 1767, nxpk= 25, iat= 152, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HN           32 GLU  HB3         4.50    (#   1769:25  Preassigned    2.30, 2.32 A)
 &rst
  ixpk= 1769, nxpk= 25, iat= 470, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1770    32 GLU  HB3         5.50    (#   1770:25  Single Ambig)
 &rst
  ixpk= 1770, nxpk= 25, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 148, 115,
 &end
#
#    10 ASN  HB2          32 GLU  HB3         4.50    (#   1771:25  Preassigned    2.47, 2.51 A)
 &rst
  ixpk= 1771, nxpk= 25, iat= 119, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1772    32 GLU  HB3         4.50    (#   1772:25  Single Ambig)
 &rst
  ixpk= 1772, nxpk= 25, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 559, 120, 545,
 &end
#
#   32 GLU  HG-          32 GLU  HB3         4.50    (#   1773:25  Preassigned    2.70, 2.86 A)
 &rst
  ixpk= 1773, nxpk= 25, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#   32 GLU  HA           32 GLU  HB3         4.50    (#   1774:25  Preassigned    3.06, 3.06 A)
 &rst
  ixpk= 1774, nxpk= 25, iat= 472, 475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  HN           51 VAL  HB          4.50    (#   1776:25  Preassigned    2.67, 2.77 A)
 &rst
  ixpk= 1776, nxpk= 25, iat= 799, 803, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 GLU  HA           50 VAL  HB          5.50    (#   1777:25  Preassigned    4.70, 4.88 A)
 &rst
  ixpk= 1777, nxpk= 25, iat= 786, 803, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 VAL  QG1          51 VAL  HB          2.80    (#   1778:25  Preassigned    2.39, 2.67 A)
 &rst
  ixpk= 1778, nxpk= 25, iat=  -1, 803, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 805, 806, 807,
 &end
#
#   51 VAL  QG2          51 VAL  HB          2.80    (#   1779:25  Preassigned    2.43, 2.66 A)
 &rst
  ixpk= 1779, nxpk= 25, iat=  -1, 803, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 809, 810, 811,
 &end
#
#   35 BTL  HZ1          35 BTL  HD+         5.50    (#   1780:25  Preassigned    2.36, 3.49 A)
 &rst
  ixpk= 1780, nxpk= 25, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#   32 GLU  HN           32 GLU  HB2         4.50    (#   1781:25  Preassigned    3.03, 3.06 A)
 &rst
  ixpk= 1781, nxpk= 25, iat= 470, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:1782    32 GLU  HB2         5.50    (#   1782:25  Single Ambig)
 &rst
  ixpk= 1782, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 148, 115,
 &end
#
#   32 GLU  HA           32 GLU  HB2         4.50    (#   1783:25  Preassigned    2.41, 2.42 A)
 &rst
  ixpk= 1783, nxpk= 25, iat= 472, 474, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HB2          32 GLU  HB2         5.50    (#   1784:25  Preassigned    2.35, 2.45 A)
 &rst
  ixpk= 1784, nxpk= 25, iat= 152, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB3          32 GLU  HB2         5.50    (#   1785:25  Preassigned    3.85, 3.95 A)
 &rst
  ixpk= 1785, nxpk= 25, iat= 153, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1786    32 GLU  HB2         5.50    (#   1786:25  Single Ambig)
 &rst
  ixpk= 1786, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 559, 545,
 &end
#
#   32 GLU  HG+          32 GLU  HB2         3.50    (#   1788:25  Preassigned    2.22, 2.49 A)
 &rst
  ixpk= 1788, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 477, 478,
 &end
#
#   32 GLU  HG-          32 GLU  HB2         3.50    (#   1789:25  Preassigned    2.22, 2.49 A)
 &rst
  ixpk= 1789, nxpk= 25, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 477, 478,
 &end
#
#   35 BTL  H92           0 AMB  25-1:1790   5.50    (#   1790:25  Single Ambig)
 &rst
  ixpk= 1790, nxpk= 25, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 523, 524, 474,
 &end
#
#    0 AMB  25-3:1792    12 TRP  HB2         5.50    (#   1792:25  Single Ambig)
 &rst
  ixpk= 1792, nxpk= 25, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 436, 134,
 &end
#
#   32 GLU  HN           12 TRP  HB2         5.50    (#   1793:25  Preassigned    2.66, 2.72 A)
 &rst
  ixpk= 1793, nxpk= 25, iat= 470, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HB           12 TRP  HB3         5.50    (#   1794:25  Preassigned    2.50, 2.84 A)
 &rst
  ixpk= 1794, nxpk= 25, iat= 436, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ALA  QB            7 MET  QG          5.50    (#   1795:25  Preassigned    3.66, 5.88 A)
 &rst
  ixpk= 1795, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 102, 103, 104,
 igr2=  88,  89,
 &end
#
#    8 ALA  HN            7 MET  QG          5.50    (#   1796:25  Preassigned    2.32, 3.55 A)
 &rst
  ixpk= 1796, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  88,  89,
 &end
#
#    7 MET  HN            7 MET  QG          5.50    (#   1797:25  Preassigned    4.34, 4.70 A)
 &rst
  ixpk= 1797, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  88,  89,
 &end
#
#    7 MET  HA            7 MET  QG          5.50    (#   1798:25  Preassigned    2.41, 3.35 A)
 &rst
  ixpk= 1798, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  88,  89,
 &end
#
#   33 SER  HB3           7 MET  QG          5.50    (#   1799:25  Preassigned    3.13, 4.19 A)
 &rst
  ixpk= 1799, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  88,  89,
 &end
#
#    7 GLN  HG+           6 MET  QG          4.50    (#   1800:25  Preassigned    3.81, 5.63 A)
 &rst
  ixpk= 1800, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  71,  72,
 igr2=  88,  89,
 &end
#
#   36 MET  HB2           7 MET  QG          5.50    (#   1802:25  Unique         5.48, 6.32 A)
 &rst
  ixpk= 1802, nxpk= 25, iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  88,  89,
 &end
#
#    7 MET  QE            7 MET  QG          5.50    (#   1803:25  Preassigned    2.44, 3.35 A)
 &rst
  ixpk= 1803, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  92,  93,  94,
 igr2=  88,  89,
 &end
#
#    7 MET  HB+           7 MET  QG          4.50    (#   1804:25  Preassigned    2.37, 2.58 A)
 &rst
  ixpk= 1804, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#    7 MET  HB-           7 MET  QG          4.50    (#   1805:25  Preassigned    2.37, 2.58 A)
 &rst
  ixpk= 1805, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#   38 ILE  QD1           7 MET  QG          5.50    (#   1806:25  Preassigned    2.30, 3.41 A)
 &rst
  ixpk= 1806, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 608, 609, 610,
 igr2=  88,  89,
 &end
#
#    0 AMB  25-3:1807     7 MET  QG          4.50    (#   1807:25  Single Ambig)
 &rst
  ixpk= 1807, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2=  88,  89,
 &end
#
#   35 BTL  HB3          35 BTL  HD-         4.50    (#   1808:25  Preassigned    2.41, 2.84 A)
 &rst
  ixpk= 1808, nxpk= 25, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 523, 524,
 &end
#
#   35 BTL  HA           35 BTL  HD+         5.50    (#   1809:25  Preassigned    2.29, 4.27 A)
 &rst
  ixpk= 1809, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#   35 BTL  HE-          35 BTL  HD+         4.50    (#   1810:25  Preassigned    2.37, 2.62 A)
 &rst
  ixpk= 1810, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 526, 527,
 igr2= 523, 524,
 &end
#
#   35 BTL  HE+          35 BTL  HD+         4.50    (#   1811:25  Preassigned    2.37, 2.62 A)
 &rst
  ixpk= 1811, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 526, 527,
 igr2= 523, 524,
 &end
#
#   35 BTL  HB2          35 BTL  HD+         4.50    (#   1812:25  Preassigned    2.30, 3.06 A)
 &rst
  ixpk= 1812, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 523, 524,
 &end
#
#   35 BTL  HG+          35 BTL  HD+         2.80    (#   1813:25  Preassigned    2.36, 2.74 A)
 &rst
  ixpk= 1813, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 520, 521,
 igr2= 523, 524,
 &end
#
#    0 AMB  25-3:1814     0 AMB  25-1:1814   3.50    (#   1814:25  Double Ambig)
 &rst
  ixpk= 1814, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 520, 521, 540,
 igr2= 523, 524, 523, 524,
 &end
#
#   35 BTL  H82          35 BTL  HD+         5.50    (#   1815:25  Preassigned    2.75, 4.86 A)
 &rst
  ixpk= 1815, nxpk= 25, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#   35 BTL  HZ1          35 BTL  HD-         5.50    (#   1816:25  Preassigned    2.36, 3.49 A)
 &rst
  ixpk= 1816, nxpk= 25, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#    0 AMB  25-3:1817    35 BTL  HD-         2.80    (#   1817:25  Single Ambig)
 &rst
  ixpk= 1817, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 520, 521, 540,
 igr2= 523, 524,
 &end
#
#   35 BTL  HE-          35 BTL  HD-         4.50    (#   1818:25  Preassigned    2.37, 2.62 A)
 &rst
  ixpk= 1818, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 526, 527,
 igr2= 523, 524,
 &end
#
#   35 BTL  HE+          35 BTL  HD-         4.50    (#   1819:25  Preassigned    2.37, 2.62 A)
 &rst
  ixpk= 1819, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 526, 527,
 igr2= 523, 524,
 &end
#
#   35 BTL  HB2          35 BTL  HD-         4.50    (#   1820:25  Preassigned    2.30, 3.06 A)
 &rst
  ixpk= 1820, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 523, 524,
 &end
#
#   35 BTL  HG+          35 BTL  HD-         2.80    (#   1821:25  Preassigned    2.36, 2.74 A)
 &rst
  ixpk= 1821, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 520, 521,
 igr2= 523, 524,
 &end
#
#   35 BTL  H82          35 BTL  HD-         5.50    (#   1822:25  Preassigned    2.75, 4.86 A)
 &rst
  ixpk= 1822, nxpk= 25, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#   35 BTL  HA           35 BTL  HD-         5.50    (#   1823:25  Preassigned    2.29, 4.27 A)
 &rst
  ixpk= 1823, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#   35 BTL  HB3          35 BTL  HD+         4.50    (#   1824:25  Preassigned    2.41, 2.84 A)
 &rst
  ixpk= 1824, nxpk= 25, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 523, 524,
 &end
#
#   35 BTL  H92          35 BTL  HD-         5.50    (#   1825:25  Preassigned    4.32, 5.67 A)
 &rst
  ixpk= 1825, nxpk= 25, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 523, 524,
 &end
#
#   13 LYS  HN           12 TRP  HB2         5.50    (#   1826:25  Preassigned    3.87, 4.00 A)
 &rst
  ixpk= 1826, nxpk= 25, iat= 172, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HN           12 TRP  HB2         4.50    (#   1827:25  Preassigned    2.30, 2.36 A)
 &rst
  ixpk= 1827, nxpk= 25, iat= 148, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HE3          12 TRP  HB2         5.50    (#   1828:25  Preassigned    2.93, 3.01 A)
 &rst
  ixpk= 1828, nxpk= 25, iat= 167, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HD1          12 TRP  HB2         5.50    (#   1829:25  Preassigned    3.59, 3.62 A)
 &rst
  ixpk= 1829, nxpk= 25, iat= 156, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HA           12 TRP  HB2         4.50    (#   1830:25  Preassigned    2.37, 2.39 A)
 &rst
  ixpk= 1830, nxpk= 25, iat= 150, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HB3          12 TRP  HB2         5.50    (#   1832:25  Preassigned    2.65, 2.79 A)
 &rst
  ixpk= 1832, nxpk= 25, iat= 475, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  QG2          12 TRP  HB2         5.50    (#   1833:25  Preassigned    3.40, 5.00 A)
 &rst
  ixpk= 1833, nxpk= 25, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   32 GLU  HB2          12 TRP  HB2         5.50    (#   1834:25  Preassigned    2.35, 2.45 A)
 &rst
  ixpk= 1834, nxpk= 25, iat= 474, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HN           12 TRP  HB3         4.50    (#   1836:25  Preassigned    2.40, 2.50 A)
 &rst
  ixpk= 1836, nxpk= 25, iat= 148, 153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HN           12 TRP  HB3         4.50    (#   1837:25  Preassigned    2.49, 2.62 A)
 &rst
  ixpk= 1837, nxpk= 25, iat= 172, 153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HE3          12 TRP  HB3         5.50    (#   1838:25  Preassigned    2.77, 2.85 A)
 &rst
  ixpk= 1838, nxpk= 25, iat= 167, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HD1          12 TRP  HB3         5.50    (#   1839:25  Preassigned    3.62, 3.71 A)
 &rst
  ixpk= 1839, nxpk= 25, iat= 156, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HA           12 TRP  HB3         4.50    (#   1840:25  Preassigned    3.02, 3.03 A)
 &rst
  ixpk= 1840, nxpk= 25, iat= 150, 153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HB2          12 TRP  HB3         5.50    (#   1842:25  Preassigned    3.85, 3.95 A)
 &rst
  ixpk= 1842, nxpk= 25, iat= 474, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  QG2          12 TRP  HB3         5.50    (#   1843:25  Preassigned    2.45, 3.73 A)
 &rst
  ixpk= 1843, nxpk= 25, iat=  -1, 153, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   30 ILE  HB           12 TRP  HB3         5.50    (#   1844:25  Preassigned    2.50, 2.84 A)
 &rst
  ixpk= 1844, nxpk= 25, iat= 436, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  HB           26 GLN  HB2         7.00    (#   1845:25  Preassigned    5.55, 5.59 A)
 &rst
  ixpk= 1845, nxpk= 25, iat= 651, 378, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:1846    26 GLN  HB2         3.50    (#   1846:25  Single Ambig)
 &rst
  ixpk= 1846, nxpk= 25, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 374, 330,
 &end
#
#   26 GLN  HA           26 GLN  HB2         4.50    (#   1847:25  Preassigned    2.51, 2.57 A)
 &rst
  ixpk= 1847, nxpk= 25, iat= 376, 378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLU  HB3          26 GLN  HB2         5.50    (#   1849:25  Preassigned    2.57, 2.88 A)
 &rst
  ixpk= 1849, nxpk= 25, iat= 335, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 GLN  HN           73 GLN  HB-         5.50    (#   1851:25  Preassigned    2.33, 3.40 A)
 &rst
  ixpk= 1851, nxpk= 25, iat=1137,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1141,1142,
 &end
#
#   15 HID  HD2          27 GLU  HB2         5.50    (#   1852:25  Preassigned    5.60, 5.68 A)
 &rst
  ixpk= 1852, nxpk= 25, iat= 223, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  QG1          27 GLU  HB2         5.50    (#   1854:25  Unique         3.05, 4.09 A)
 &rst
  ixpk= 1854, nxpk= 25, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 653, 654, 655,
 &end
#
#   27 GLU  HA           27 GLU  HB2         4.50    (#   1855:25  Preassigned    2.46, 2.47 A)
 &rst
  ixpk= 1855, nxpk= 25, iat= 393, 395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLU  HG+          27 GLU  HB2         2.80    (#   1856:25  Preassigned    2.50, 2.78 A)
 &rst
  ixpk= 1856, nxpk= 25, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 398, 399,
 &end
#
#   28 VAL  HN           27 GLU  HB2         5.50    (#   1857:25  Preassigned    4.31, 4.35 A)
 &rst
  ixpk= 1857, nxpk= 25, iat= 406, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HN           27 GLU  HB2         4.50    (#   1858:25  Preassigned    2.46, 2.48 A)
 &rst
  ixpk= 1858, nxpk= 25, iat= 391, 395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HE21         26 GLN  HB2         5.50    (#   1859:25  Preassigned    4.45, 4.83 A)
 &rst
  ixpk= 1859, nxpk= 25, iat= 386, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HN           27 GLU  HB3         4.50    (#   1860:25  Preassigned    2.42, 2.45 A)
 &rst
  ixpk= 1860, nxpk= 25, iat= 391, 396, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 VAL  HN           27 GLU  HB3         5.50    (#   1861:25  Preassigned    4.22, 4.29 A)
 &rst
  ixpk= 1861, nxpk= 25, iat= 406, 396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HG+          27 GLU  HB3         4.50    (#   1862:25  Preassigned    2.46, 2.76 A)
 &rst
  ixpk= 1862, nxpk= 25, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#   27 GLU  HA           27 GLU  HB3         4.50    (#   1863:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1863, nxpk= 25, iat= 393, 396, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLN  HA           73 GLN  HB+         5.50    (#   1864:25  Preassigned    2.37, 2.70 A)
 &rst
  ixpk= 1864, nxpk= 25, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1141,1142,
 &end
#
#    0 AMB  25-3:1865    27 GLU  HB3         5.50    (#   1865:25  Single Ambig)
 &rst
  ixpk= 1865, nxpk= 25, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 621, 622, 651,
 &end
#
#   15 HID  HD2          27 GLU  HB3         5.50    (#   1866:25  Preassigned    4.82, 4.88 A)
 &rst
  ixpk= 1866, nxpk= 25, iat= 223, 396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 GLN  QG           73 GLN  HB+         2.80    (#   1867:25  Preassigned    2.34, 2.74 A)
 &rst
  ixpk= 1867, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1144,1145,
 igr2=1141,1142,
 &end
#
#   22 ILE  QG2          26 GLN  HB3         5.50    (#   1869:25  Preassigned    4.17, 4.95 A)
 &rst
  ixpk= 1869, nxpk= 25, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 317, 318, 319,
 &end
#
#   26 GLN  HN           26 GLN  HB3         3.50    (#   1870:25  Preassigned    2.44, 2.52 A)
 &rst
  ixpk= 1870, nxpk= 25, iat= 374, 379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 GLN  HA           26 GLN  HB3         4.50    (#   1871:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 1871, nxpk= 25, iat= 376, 379, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLU  HB3          26 GLN  HB3         5.50    (#   1873:25  Preassigned    3.91, 4.19 A)
 &rst
  ixpk= 1873, nxpk= 25, iat= 335, 379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  QG2          26 GLN  HB3         5.50    (#   1874:25  Preassigned    5.27, 6.16 A)
 &rst
  ixpk= 1874, nxpk= 25, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 416, 417, 418,
 &end
#
#   26 GLN  HG+          26 GLN  HB3         3.50    (#   1875:25  Preassigned    2.47, 2.85 A)
 &rst
  ixpk= 1875, nxpk= 25, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 381, 382,
 &end
#
#   42 ALA  QB           26 GLN  HB3         5.50    (#   1876:25  Preassigned    2.94, 3.61 A)
 &rst
  ixpk= 1876, nxpk= 25, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 667, 668, 669,
 &end
#
#   37 GLU  HA           37 GLU  QB          3.50    (#   1878:25  Preassigned    2.37, 2.57 A)
 &rst
  ixpk= 1878, nxpk= 25, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 584, 585,
 &end
#
#   37 GLU  HG-          37 GLU  QB          2.80    (#   1879:25  Preassigned    2.26, 2.73 A)
 &rst
  ixpk= 1879, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 587, 588,
 igr2= 584, 585,
 &end
#
#   38 ILE  HN           37 GLU  QB          5.50    (#   1880:25  Preassigned    3.10, 3.86 A)
 &rst
  ixpk= 1880, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 584, 585,
 &end
#
#   37 GLU  HN           37 GLU  QB          3.50    (#   1881:25  Preassigned    2.28, 3.27 A)
 &rst
  ixpk= 1881, nxpk= 25, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 584, 585,
 &end
#
#   37 GLU  HG+          37 GLU  QB          2.80    (#   1882:25  Preassigned    2.26, 2.73 A)
 &rst
  ixpk= 1882, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 587, 588,
 igr2= 584, 585,
 &end
#
#   30 ILE  QG2          37 GLU  QB          4.50    (#   1883:25  Preassigned    3.77, 5.15 A)
 &rst
  ixpk= 1883, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 438, 439, 440,
 igr2= 584, 585,
 &end
#
#    0 AMB  25-3:1886    24 LYS  QD          5.50    (#   1886:25  Single Ambig)
 &rst
  ixpk= 1886, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 709, 345,
 igr2= 355, 356,
 &end
#
#   24 LYS  HA           24 LYS  QD          5.50    (#   1887:25  Preassigned    4.11, 4.59 A)
 &rst
  ixpk= 1887, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 355, 356,
 &end
#
#   24 LYS  QE           24 LYS  QD          2.80    (#   1888:25  Preassigned    2.27, 2.68 A)
 &rst
  ixpk= 1888, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 358, 359,
 igr2= 355, 356,
 &end
#
#   24 LYS  QG           24 LYS  QD          2.80    (#   1889:25  Preassigned    2.33, 2.72 A)
 &rst
  ixpk= 1889, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 352, 353,
 igr2= 355, 356,
 &end
#
#   34 MET  HA           34 MET  QB          3.50    (#   1890:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 1890, nxpk= 25, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 500, 501,
 &end
#
#   34 MET  HG+          34 MET  QB          3.50    (#   1891:25  Preassigned    2.31, 2.60 A)
 &rst
  ixpk= 1891, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 503, 504,
 igr2= 500, 501,
 &end
#
#   34 MET  HG-          34 MET  QB          3.50    (#   1892:25  Preassigned    2.31, 2.60 A)
 &rst
  ixpk= 1892, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 503, 504,
 igr2= 500, 501,
 &end
#
#   34 MET  HN           34 MET  QB          5.50    (#   1893:25  Preassigned    3.50, 3.82 A)
 &rst
  ixpk= 1893, nxpk= 25, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 500, 501,
 &end
#
#   36 MET  HN           34 MET  QB          5.50    (#   1894:25  Preassigned    4.18, 4.86 A)
 &rst
  ixpk= 1894, nxpk= 25, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 500, 501,
 &end
#
#   35 BTL  HN            0 AMB  25-1:1895   5.50    (#   1895:25  Single Ambig)
 &rst
  ixpk= 1895, nxpk= 25, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 517, 500, 501,
 &end
#
#   36 MET  HN           35 BTL  HB2         5.50    (#   1896:25  Preassigned    3.97, 4.15 A)
 &rst
  ixpk= 1896, nxpk= 25, iat= 563, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HD-          35 BTL  HB2         4.50    (#   1897:25  Preassigned    2.30, 3.06 A)
 &rst
  ixpk= 1897, nxpk= 25, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 523, 524,
 &end
#
#   35 BTL  HG+          35 BTL  HB2         4.50    (#   1898:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 1898, nxpk= 25, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 520, 521,
 &end
#
#   35 BTL  HA           35 BTL  HB2         4.50    (#   1899:25  Preassigned    2.58, 2.97 A)
 &rst
  ixpk= 1899, nxpk= 25, iat= 515, 517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 BTL  HG-          35 BTL  HB2         4.50    (#   1901:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 1901, nxpk= 25, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 520, 521,
 &end
#
#   22 ILE  HN           21 GLN  QB          5.50    (#   1903:25  Preassigned    4.06, 4.20 A)
 &rst
  ixpk= 1903, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 298, 299,
 &end
#
#   21 GLN  HG+          21 GLN  QB          2.80    (#   1904:25  Preassigned    2.28, 2.62 A)
 &rst
  ixpk= 1904, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 301, 302,
 igr2= 298, 299,
 &end
#
#   47 ILE  HG1+         21 GLN  QB          5.50    (#   1905:25  Preassigned    2.89, 5.21 A)
 &rst
  ixpk= 1905, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 737, 738,
 igr2= 298, 299,
 &end
#
#   21 GLN  HN           21 GLN  QB          3.50    (#   1906:25  Preassigned    2.30, 2.63 A)
 &rst
  ixpk= 1906, nxpk= 25, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 298, 299,
 &end
#
#   21 GLN  HA           21 GLN  QB          2.80    (#   1907:25  Preassigned    2.43, 2.77 A)
 &rst
  ixpk= 1907, nxpk= 25, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 298, 299,
 &end
#
#   21 ASP  HA           20 GLN  QB          5.50    (#   1908:25  Preassigned    4.08, 4.56 A)
 &rst
  ixpk= 1908, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 298, 299,
 &end
#
#   35 BTL  HA           35 BTL  HB3         3.50    (#   1910:25  Preassigned    2.37, 2.49 A)
 &rst
  ixpk= 1910, nxpk= 25, iat= 515, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:1911    35 BTL  HB3         4.50    (#   1911:25  Single Ambig)
 &rst
  ixpk= 1911, nxpk= 25, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 520, 521, 540,
 &end
#
#   35 BTL  HD+          35 BTL  HB3         4.50    (#   1913:25  Preassigned    2.41, 2.84 A)
 &rst
  ixpk= 1913, nxpk= 25, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 523, 524,
 &end
#
#   35 BTL  HG+          35 BTL  HB3         4.50    (#   1914:25  Preassigned    2.36, 2.77 A)
 &rst
  ixpk= 1914, nxpk= 25, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 520, 521,
 &end
#
#   35 BTL  H82          35 BTL  HB3         5.50    (#   1915:25  Preassigned    4.38, 4.82 A)
 &rst
  ixpk= 1915, nxpk= 25, iat= 539, 518, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HA           49 LYS  HD-         5.50    (#   1916:25  Preassigned    4.35, 4.63 A)
 &rst
  ixpk= 1916, nxpk= 25, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 772, 773,
 &end
#
#   69 SER  QB           49 LYS  HD-         5.50    (#   1917:25  Preassigned    4.07, 6.41 A)
 &rst
  ixpk= 1917, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1091,1092,
 igr2= 772, 773,
 &end
#
#    0 AMB  25-3:1918     0 AMB  25-1:1918   4.50    (#   1918:25  Double Ambig)
 &rst
  ixpk= 1918, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1089, 687,
 igr2= 772, 773, 355, 356,
 &end
#
#   67 GLU  HA           49 LYS  HD-         5.50    (#   1919:25  Preassigned    5.09, 6.19 A)
 &rst
  ixpk= 1919, nxpk= 25, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 772, 773,
 &end
#
#   49 LYS  HA           49 LYS  HD+         5.50    (#   1920:25  Preassigned    4.35, 4.63 A)
 &rst
  ixpk= 1920, nxpk= 25, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 772, 773,
 &end
#
#   49 LYS  QE           49 LYS  HD+         4.50    (#   1921:25  Preassigned    2.34, 2.69 A)
 &rst
  ixpk= 1921, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 775, 776,
 igr2= 772, 773,
 &end
#
#   50 GLU  HB3          49 LYS  HD+         5.50    (#   1922:25  Preassigned    4.25, 5.39 A)
 &rst
  ixpk= 1922, nxpk= 25, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 772, 773,
 &end
#
#   49 LYS  HG+          49 LYS  HD+         2.80    (#   1923:25  Preassigned    2.24, 2.70 A)
 &rst
  ixpk= 1923, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 769, 770,
 igr2= 772, 773,
 &end
#
#   49 LYS  HG-          49 LYS  HD+         3.50    (#   1924:25  Preassigned    2.24, 2.70 A)
 &rst
  ixpk= 1924, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 769, 770,
 igr2= 772, 773,
 &end
#
#   69 SER  HA           49 LYS  HD+         5.50    (#   1925:25  Preassigned    2.43, 4.56 A)
 &rst
  ixpk= 1925, nxpk= 25, iat=1089,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 772, 773,
 &end
#
#    6 GLN  HN            6 GLN  HB2         5.50    (#   1927:25  Preassigned    3.74, 3.78 A)
 &rst
  ixpk= 1927, nxpk= 25, iat=  64,  68, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HA            6 GLN  HB2         4.50    (#   1928:25  Preassigned    2.37, 2.39 A)
 &rst
  ixpk= 1928, nxpk= 25, iat=  66,  68, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 GLN  HG+           6 GLN  HB2         2.80    (#   1929:25  Preassigned    2.40, 2.54 A)
 &rst
  ixpk= 1929, nxpk= 25, iat=  -1,  68, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  71,  72,
 &end
#
#    6 ILE  HA            5 GLN  HB2         5.50    (#   1930:25  Preassigned    5.41, 5.45 A)
 &rst
  ixpk= 1930, nxpk= 25, iat=  47,  68, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  QD1          21 GLN  QB          4.50    (#   1931:25  Preassigned    2.50, 4.71 A)
 &rst
  ixpk= 1931, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 740, 741, 742,
 igr2= 298, 299,
 &end
#
#   22 ILE  HN           21 GLN  QB          5.50    (#   1932:25  Preassigned    4.06, 4.20 A)
 &rst
  ixpk= 1932, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 298, 299,
 &end
#
#    6 GLN  HN            6 GLN  HB3         4.50    (#   1933:25  Preassigned    2.91, 2.98 A)
 &rst
  ixpk= 1933, nxpk= 25, iat=  64,  69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 GLN  HA            6 GLN  HB3         4.50    (#   1934:25  Preassigned    2.46, 2.49 A)
 &rst
  ixpk= 1934, nxpk= 25, iat=  66,  69, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 ILE  HA            5 GLN  HB3         5.50    (#   1935:25  Preassigned    3.97, 4.03 A)
 &rst
  ixpk= 1935, nxpk= 25, iat=  47,  69, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HG+           6 GLN  HB3         3.50    (#   1936:25  Preassigned    2.45, 2.79 A)
 &rst
  ixpk= 1936, nxpk= 25, iat=  -1,  69, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  71,  72,
 &end
#
#    7 MET  HN            6 GLN  HB3         5.50    (#   1938:25  Preassigned    4.40, 4.46 A)
 &rst
  ixpk= 1938, nxpk= 25, iat=  81,  69, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 GLU  HN           61 GLU  HB2         4.50    (#   1939:25  Preassigned    2.35, 2.43 A)
 &rst
  ixpk= 1939, nxpk= 25, iat= 965, 969, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 ASN  HA           60 GLU  HB3         5.50    (#   1940:25  Preassigned    4.93, 4.99 A)
 &rst
  ixpk= 1940, nxpk= 25, iat= 953, 970, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1941    61 GLU  HB3         5.50    (#   1941:25  Single Ambig)
 &rst
  ixpk= 1941, nxpk= 25, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  98, 987,
 &end
#
#   13 LYS  HA           55 GLU  QB          4.50    (#   1942:25  Unique         2.09, 3.71 A)
 &rst
  ixpk= 1942, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 885, 886,
 &end
#
#    6 GLN  HA           61 GLU  HB3         5.50    (#   1943:25  Preassigned    4.98, 5.16 A)
 &rst
  ixpk= 1943, nxpk= 25, iat=  66, 970, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1944     0 AMB  25-1:1944   4.50    (#   1944:25  Double Ambig)
 &rst
  ixpk= 1944, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 526, 527, 967,
 igr2= 518, 970,
 &end
#
#   56 GLY  HN           55 GLU  QB          5.50    (#   1945:25  Preassigned    2.76, 3.85 A)
 &rst
  ixpk= 1945, nxpk= 25, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 885, 886,
 &end
#
#   62 GLY  HN           61 GLU  HB3         5.50    (#   1946:25  Preassigned    4.34, 4.38 A)
 &rst
  ixpk= 1946, nxpk= 25, iat= 980, 970, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:1947     0 AMB  25-1:1947   2.80    (#   1947:25  Double Ambig)
 &rst
  ixpk= 1947, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 965, 881,
 igr2= 970, 885, 886,
 &end
#
#   55 GLU  HG+          55 GLU  QB          3.50    (#   1948:25  Preassigned    2.25, 2.65 A)
 &rst
  ixpk= 1948, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 888, 889,
 igr2= 885, 886,
 &end
#
#   55 GLU  HG-          55 GLU  QB          2.80    (#   1949:25  Preassigned    2.25, 2.65 A)
 &rst
  ixpk= 1949, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 888, 889,
 igr2= 885, 886,
 &end
#
#   14 VAL  HN           55 GLU  QB          5.50    (#   1951:25  Unique         2.52, 4.72 A)
 &rst
  ixpk= 1951, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 885, 886,
 &end
#
#   55 GLU  HA           55 GLU  QB          3.50    (#   1952:25  Preassigned    2.32, 2.72 A)
 &rst
  ixpk= 1952, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 885, 886,
 &end
#
#   14 VAL  QG2          55 GLU  QB          5.50    (#   1953:25  Preassigned    2.28, 5.54 A)
 &rst
  ixpk= 1953, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 205, 206,
 igr2= 885, 886,
 &end
#
#    7 MET  HA           61 GLU  HB2         5.50    (#   1954:25  Preassigned    2.57, 2.79 A)
 &rst
  ixpk= 1954, nxpk= 25, iat=  83, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HA           61 GLU  HB2         5.50    (#   1955:25  Preassigned    4.07, 4.30 A)
 &rst
  ixpk= 1955, nxpk= 25, iat=  66, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 GLY  HN           61 GLU  HB2         5.50    (#   1956:25  Preassigned    4.39, 4.44 A)
 &rst
  ixpk= 1956, nxpk= 25, iat= 980, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ALA  HN           61 GLU  HB2         5.50    (#   1957:25  Preassigned    3.74, 3.85 A)
 &rst
  ixpk= 1957, nxpk= 25, iat=  98, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HA           21 GLN  QB          5.50    (#   1958:25  Preassigned    4.66, 5.25 A)
 &rst
  ixpk= 1958, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 298, 299,
 &end
#
#   61 GLU  HA           61 GLU  HB2         4.50    (#   1959:25  Preassigned    2.44, 2.49 A)
 &rst
  ixpk= 1959, nxpk= 25, iat= 967, 969, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLU  HG-          61 GLU  HB2         2.80    (#   1960:25  Preassigned    2.30, 2.73 A)
 &rst
  ixpk= 1960, nxpk= 25, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 972, 973,
 &end
#
#   61 ASN  HA           60 GLU  HB2         5.50    (#   1961:25  Preassigned    4.56, 4.60 A)
 &rst
  ixpk= 1961, nxpk= 25, iat= 953, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  QG2          21 GLN  QB          5.50    (#   1962:25  Preassigned    3.90, 6.20 A)
 &rst
  ixpk= 1962, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 733, 734, 735,
 igr2= 298, 299,
 &end
#
#   54 LYS  HN           54 LYS  QD          5.50    (#   1963:25  Preassigned    2.21, 4.54 A)
 &rst
  ixpk= 1963, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 869, 870,
 &end
#
#    0 AMB  25-3:1964     0 AMB  25-1:1964   5.50    (#   1964:25  Double Ambig)
 &rst
  ixpk= 1964, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 881,1053,
 igr2= 869, 870, 772, 773,
 &end
#
#    0 AMB  25-3:1965     0 AMB  25-1:1965   2.80    (#   1965:25  Double Ambig)
 &rst
  ixpk= 1965, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 767, 866, 867, 250, 251,
 igr2= 772, 773, 869, 870, 253, 254,
 &end
#
#   17 LYS  HN           17 LYS  QD          5.50    (#   1966:25  Preassigned    4.74, 5.36 A)
 &rst
  ixpk= 1966, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 253, 254,
 &end
#
#    0 AMB  25-3:1967     0 AMB  25-1:1967   5.50    (#   1967:25  Double Ambig)
 &rst
  ixpk= 1967, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 861, 245, 284,
 igr2= 869, 870, 253, 254,
 &end
#
#    0 AMB  25-3:1968     0 AMB  25-1:1968   2.80    (#   1968:25  Double Ambig)
 &rst
  ixpk= 1968, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 872, 873, 256, 257,
 igr2= 869, 870, 253, 254,
 &end
#
#   17 LYS  QB           17 LYS  QD          2.80    (#   1969:25  Preassigned    2.37, 3.26 A)
 &rst
  ixpk= 1969, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 247, 248,
 igr2= 253, 254,
 &end
#
#    0 AMB  25-3:1970     0 AMB  25-1:1970   2.80    (#   1970:25  Double Ambig)
 &rst
  ixpk= 1970, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 769, 770, 866, 867,
 igr2= 772, 773, 869, 870,
 &end
#
#   53 LYS  HB2          53 LYS  HD-         5.50    (#   1971:25  Preassigned    3.62, 3.74 A)
 &rst
  ixpk= 1971, nxpk= 25, iat= 841,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 847, 848,
 &end
#
#   53 LYS  HA           53 LYS  HD-         3.50    (#   1972:25  Preassigned    2.22, 2.79 A)
 &rst
  ixpk= 1972, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 847, 848,
 &end
#
#   53 LYS  QE           53 LYS  HD-         4.50    (#   1974:25  Preassigned    2.39, 2.76 A)
 &rst
  ixpk= 1974, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 850, 851,
 igr2= 847, 848,
 &end
#
#   53 LYS  HG+          53 LYS  HD-         4.50    (#   1975:25  Preassigned    2.42, 2.77 A)
 &rst
  ixpk= 1975, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 844, 845,
 igr2= 847, 848,
 &end
#
#   54 LYS  HN           53 LYS  HD+         5.50    (#   1976:25  Preassigned    3.86, 4.02 A)
 &rst
  ixpk= 1976, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 847, 848,
 &end
#
#   53 LYS  QE           53 LYS  HD+         4.50    (#   1977:25  Preassigned    2.39, 2.76 A)
 &rst
  ixpk= 1977, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 850, 851,
 igr2= 847, 848,
 &end
#
#   53 LYS  HG-          53 LYS  HD+         4.50    (#   1979:25  Preassigned    2.42, 2.77 A)
 &rst
  ixpk= 1979, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 844, 845,
 igr2= 847, 848,
 &end
#
#   59 VAL  QG1          53 LYS  HD+         4.50    (#   1980:25  Preassigned    2.51, 3.78 A)
 &rst
  ixpk= 1980, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 941, 942, 943,
 igr2= 847, 848,
 &end
#
#   53 LYS  HA           53 LYS  HD+         5.50    (#   1981:25  Preassigned    2.22, 2.79 A)
 &rst
  ixpk= 1981, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 847, 848,
 &end
#
#   57 ASP  HB2          53 LYS  HD+         5.50    (#   1982:25  Preassigned    3.60, 4.46 A)
 &rst
  ixpk= 1982, nxpk= 25, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 847, 848,
 &end
#
#   54 LYS  HN           53 LYS  HD-         5.50    (#   1983:25  Preassigned    3.86, 4.02 A)
 &rst
  ixpk= 1983, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 847, 848,
 &end
#
#   53 LYS  HG-          53 LYS  HD-         5.50    (#   1984:25  Preassigned    2.42, 2.77 A)
 &rst
  ixpk= 1984, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 844, 845,
 igr2= 847, 848,
 &end
#
#   14 VAL  HN           13 LYS  HD+         5.50    (#   1985:25  Preassigned    4.51, 5.26 A)
 &rst
  ixpk= 1985, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   15 HID  HE1          13 LYS  HD+         5.50    (#   1986:25  Preassigned    2.38, 3.35 A)
 &rst
  ixpk= 1986, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   13 LYS  HA           13 LYS  HD+         4.50    (#   1987:25  Preassigned    4.24, 4.50 A)
 &rst
  ixpk= 1987, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 182, 183,
 &end
#
#   13 LYS  HE-          13 LYS  HD+         5.50    (#   1988:25  Preassigned    2.44, 2.77 A)
 &rst
  ixpk= 1988, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186,
 igr2= 182, 183,
 &end
#
#    0 AMB  25-3:1989     0 AMB  25-1:1989   5.50    (#   1989:25  Double Ambig)
 &rst
  ixpk= 1989, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 176, 445, 446, 447,
 igr2= 182, 183, 182, 183,
 &end
#
#   13 LYS  HE+          13 LYS  HD+         5.50    (#   1990:25  Preassigned    2.44, 2.77 A)
 &rst
  ixpk= 1990, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186,
 igr2= 182, 183,
 &end
#
#   13 LYS  HG-          13 LYS  HD+         5.50    (#   1992:25  Preassigned    2.39, 2.60 A)
 &rst
  ixpk= 1992, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 179, 180,
 igr2= 182, 183,
 &end
#
#   13 LYS  HG+          13 LYS  HD+         5.50    (#   1993:25  Preassigned    2.39, 2.60 A)
 &rst
  ixpk= 1993, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 179, 180,
 igr2= 182, 183,
 &end
#
#   13 LYS  HN           13 LYS  HD+         5.50    (#   1994:25  Preassigned    4.14, 5.75 A)
 &rst
  ixpk= 1994, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   13 LYS  HG+          13 LYS  HD-         5.50    (#   1995:25  Preassigned    2.39, 2.60 A)
 &rst
  ixpk= 1995, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 179, 180,
 igr2= 182, 183,
 &end
#
#   13 LYS  HE-          13 LYS  HD-         5.50    (#   1996:25  Preassigned    2.44, 2.77 A)
 &rst
  ixpk= 1996, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186,
 igr2= 182, 183,
 &end
#
#   13 LYS  HE+          13 LYS  HD-         5.50    (#   1997:25  Preassigned    2.44, 2.77 A)
 &rst
  ixpk= 1997, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186,
 igr2= 182, 183,
 &end
#
#    0 AMB  25-3:2000    13 LYS  HD-         4.50    (#   2000:25  Single Ambig)
 &rst
  ixpk= 2000, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 176, 445, 446, 447,
 igr2= 182, 183,
 &end
#
#   15 HID  HE1          13 LYS  HD-         5.50    (#   2001:25  Preassigned    2.38, 3.35 A)
 &rst
  ixpk= 2001, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   13 LYS  HA           13 LYS  HD-         5.50    (#   2002:25  Preassigned    4.24, 4.50 A)
 &rst
  ixpk= 2002, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   13 LYS  HG-          13 LYS  HD-         4.50    (#   2003:25  Preassigned    2.39, 2.60 A)
 &rst
  ixpk= 2003, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 179, 180,
 igr2= 182, 183,
 &end
#
#   39 PRO  HD-          39 PRO  HG-         4.50    (#   2006:25  Preassigned    2.29, 2.60 A)
 &rst
  ixpk= 2006, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 615, 616,
 igr2= 618, 619,
 &end
#
#   39 PRO  HB+          39 PRO  HG-         4.50    (#   2007:25  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 2007, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 621, 622,
 igr2= 618, 619,
 &end
#
#   27 GLU  HG+          39 PRO  HG-         5.50    (#   2008:25  Preassigned    5.74, 6.78 A)
 &rst
  ixpk= 2008, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 398, 399,
 igr2= 618, 619,
 &end
#
#   39 PRO  HB-          39 PRO  HG-         3.50    (#   2010:25  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 2010, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 621, 622,
 igr2= 618, 619,
 &end
#
#   41 VAL  QG2          39 PRO  HG-         5.50    (#   2011:25  Preassigned    5.11, 6.82 A)
 &rst
  ixpk= 2011, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 657, 658, 659,
 igr2= 618, 619,
 &end
#
#   39 PRO  HD+          39 PRO  HG-         4.50    (#   2012:25  Preassigned    2.29, 2.60 A)
 &rst
  ixpk= 2012, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 615, 616,
 igr2= 618, 619,
 &end
#
#   39 ILE  HB           38 PRO  HG+         7.00    (#   2013:25  Preassigned    5.84, 6.32 A)
 &rst
  ixpk= 2013, nxpk= 25, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 618, 619,
 &end
#
#   39 ILE  HB           38 PRO  HG-         7.00    (#   2015:25  Unique         5.84, 6.32 A)
 &rst
  ixpk= 2015, nxpk= 25, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 618, 619,
 &end
#
#    0 AMB  25-3:2016     0 AMB  25-1:2016   5.50    (#   2016:25  Double Ambig)
 &rst
  ixpk= 2016, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 628, 647,
 igr2= 618, 619, 618, 619,
 &end
#
#   41 VAL  QG2          39 PRO  HG+         5.50    (#   2017:25  Preassigned    5.11, 6.82 A)
 &rst
  ixpk= 2017, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 657, 658, 659,
 igr2= 618, 619,
 &end
#
#   39 PRO  HD+          39 PRO  HG+         4.50    (#   2018:25  Preassigned    2.29, 2.60 A)
 &rst
  ixpk= 2018, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 615, 616,
 igr2= 618, 619,
 &end
#
#   39 PRO  HD-          39 PRO  HG+         4.50    (#   2019:25  Preassigned    2.29, 2.60 A)
 &rst
  ixpk= 2019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 615, 616,
 igr2= 618, 619,
 &end
#
#   39 PRO  HB+          39 PRO  HG+         4.50    (#   2020:25  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 2020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 621, 622,
 igr2= 618, 619,
 &end
#
#   27 GLU  HG+          39 PRO  HG+         5.50    (#   2021:25  Preassigned    5.74, 6.78 A)
 &rst
  ixpk= 2021, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 398, 399,
 igr2= 618, 619,
 &end
#
#   39 PRO  HB-          39 PRO  HG+         2.80    (#   2023:25  Preassigned    2.37, 2.63 A)
 &rst
  ixpk= 2023, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 621, 622,
 igr2= 618, 619,
 &end
#
#    0 AMB  25-3:2024     0 AMB  25-1:2024   5.50    (#   2024:25  Double Ambig)
 &rst
  ixpk= 2024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 438, 439, 440, 442, 443,
 igr2= 618, 619, 618, 619,
 &end
#
#    5 ILE  QG2           5 ILE  HG1-        4.50    (#   2026:25  Preassigned    2.25, 3.50 A)
 &rst
  ixpk= 2026, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  51,  52,  53,
 igr2=  55,  56,
 &end
#
#   47 ILE  HB           47 ILE  HG1-        3.50    (#   2027:25  Preassigned    2.34, 2.60 A)
 &rst
  ixpk= 2027, nxpk= 25, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 737, 738,
 &end
#
#    0 AMB  25-3:2028     5 ILE  HG1-        3.50    (#   2028:25  Single Ambig)
 &rst
  ixpk= 2028, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1024,1025,1026,1028,1029,1030,  58,  59,  60,
 igr2=  55,  56,
 &end
#
#   47 ILE  HN           47 ILE  HG1-        5.50    (#   2029:25  Preassigned    2.51, 3.41 A)
 &rst
  ixpk= 2029, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 737, 738,
 &end
#
#    0 AMB  25-3:2030    47 ILE  HG1-        4.50    (#   2030:25  Single Ambig)
 &rst
  ixpk= 2030, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 296, 729,
 igr2= 737, 738,
 &end
#
#   47 GLY  HA-          46 ILE  HG1-        5.50    (#   2031:25  Preassigned    3.69, 5.01 A)
 &rst
  ixpk= 2031, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 722, 723,
 igr2= 737, 738,
 &end
#
#   47 ILE  QD1          47 ILE  HG1-        3.50    (#   2033:25  Preassigned    2.37, 2.66 A)
 &rst
  ixpk= 2033, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 740, 741, 742,
 igr2= 737, 738,
 &end
#
#   47 ILE  QG2          47 ILE  HG1-        4.50    (#   2034:25  Preassigned    2.38, 3.56 A)
 &rst
  ixpk= 2034, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 733, 734, 735,
 igr2= 737, 738,
 &end
#
#    5 ILE  HN            5 ILE  HG1-        4.50    (#   2035:25  Unique         2.07, 2.97 A)
 &rst
  ixpk= 2035, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  55,  56,
 &end
#
#    5 SER  HA            4 ILE  HG1+        5.50    (#   2036:25  Preassigned    3.40, 4.40 A)
 &rst
  ixpk= 2036, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  55,  56,
 &end
#
#    5 ILE  HA            5 ILE  HG1-        5.50    (#   2037:25  Preassigned    2.35, 3.44 A)
 &rst
  ixpk= 2037, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  55,  56,
 &end
#
#   21 GLN  HG-          47 ILE  HG1+        5.50    (#   2038:25  Preassigned    2.91, 5.53 A)
 &rst
  ixpk= 2038, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 301, 302,
 igr2= 737, 738,
 &end
#
#    5 ILE  HB            5 ILE  HG1+        4.50    (#   2039:25  Preassigned    2.35, 2.46 A)
 &rst
  ixpk= 2039, nxpk= 25, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  55,  56,
 &end
#
#    5 ILE  QG2           5 ILE  HG1+        4.50    (#   2040:25  Preassigned    2.25, 3.50 A)
 &rst
  ixpk= 2040, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  51,  52,  53,
 igr2=  55,  56,
 &end
#
#    0 AMB  25-3:2041     0 AMB  25-1:2041   5.50    (#   2041:25  Double Ambig)
 &rst
  ixpk= 2041, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 311, 746,
 igr2= 737, 738, 737, 738,
 &end
#
#   47 ILE  HN           47 ILE  HG1+        5.50    (#   2042:25  Preassigned    2.51, 3.41 A)
 &rst
  ixpk= 2042, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 737, 738,
 &end
#
#    5 ILE  HA            5 ILE  HG1+        4.50    (#   2043:25  Preassigned    2.35, 3.44 A)
 &rst
  ixpk= 2043, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  55,  56,
 &end
#
#   22 ILE  HG1-         47 ILE  HG1+        7.00    (#   2044:25  Preassigned    5.34, 7.02 A)
 &rst
  ixpk= 2044, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 321, 322,
 igr2= 737, 738,
 &end
#
#   47 ILE  QD1          47 ILE  HG1+        2.80    (#   2045:25  Preassigned    2.37, 2.66 A)
 &rst
  ixpk= 2045, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 740, 741, 742,
 igr2= 737, 738,
 &end
#
#   47 ILE  QG2          47 ILE  HG1+        2.80    (#   2046:25  Preassigned    2.38, 3.56 A)
 &rst
  ixpk= 2046, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 733, 734, 735,
 igr2= 737, 738,
 &end
#
#    0 AMB  25-3:2047     0 AMB  25-1:2047   4.50    (#   2047:25  Double Ambig)
 &rst
  ixpk= 2047, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 296, 729,
 igr2= 737, 738, 737, 738,
 &end
#
#   21 GLN  QB           47 ILE  HG1+        5.50    (#   2048:25  Preassigned    2.89, 5.21 A)
 &rst
  ixpk= 2048, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 298, 299,
 igr2= 737, 738,
 &end
#
#   47 ILE  HB           47 ILE  HG1+        4.50    (#   2049:25  Preassigned    2.34, 2.60 A)
 &rst
  ixpk= 2049, nxpk= 25, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 737, 738,
 &end
#
#    0 AMB  25-3:2050     0 AMB  25-1:2050   5.50    (#   2050:25  Double Ambig)
 &rst
  ixpk= 2050, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
 igr1= 138, 139, 140, 142, 143, 144, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466,
 igr2=  55,  56,  55,  56,  55,  56,
 &end
#
#    0 AMB  25-3:2051    39 PRO  HG-         5.50    (#   2051:25  Single Ambig)
 &rst
  ixpk= 2051, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 624, 597,
 igr2= 618, 619,
 &end
#
#    0 AMB  25-3:2052     0 AMB  25-1:2052   4.50    (#   2052:25  Double Ambig)
 &rst
  ixpk= 2052, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 624, 597,
 igr2= 618, 619, 618, 619,
 &end
#
#   52 LYS  HA           52 LYS  QD          4.50    (#   2053:25  Preassigned    2.10, 2.75 A)
 &rst
  ixpk= 2053, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 825, 826,
 &end
#
#   52 LYS  HE-          52 LYS  QD          5.50    (#   2054:25  Preassigned    2.34, 2.76 A)
 &rst
  ixpk= 2054, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 828, 829,
 igr2= 825, 826,
 &end
#
#   52 LYS  HE+          52 LYS  QD          5.50    (#   2055:25  Preassigned    2.34, 2.76 A)
 &rst
  ixpk= 2055, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 828, 829,
 igr2= 825, 826,
 &end
#
#   67 GLU  HG+          52 LYS  QD          5.50    (#   2056:25  Preassigned    4.18, 6.53 A)
 &rst
  ixpk= 2056, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1060,1061,
 igr2= 825, 826,
 &end
#
#   50 GLU  HG-          52 LYS  QD          4.50    (#   2057:25  Preassigned    2.55, 4.50 A)
 &rst
  ixpk= 2057, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 791, 792,
 igr2= 825, 826,
 &end
#
#    0 AMB  25-3:2058    52 LYS  QD          4.50    (#   2058:25  Single Ambig)
 &rst
  ixpk= 2058, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1058, 789,
 igr2= 825, 826,
 &end
#
#   52 LYS  HG+          52 LYS  QD          2.80    (#   2059:25  Preassigned    2.33, 2.73 A)
 &rst
  ixpk= 2059, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 822, 823,
 igr2= 825, 826,
 &end
#
#   52 LYS  HN           52 LYS  QD          5.50    (#   2060:25  Preassigned    3.55, 4.17 A)
 &rst
  ixpk= 2060, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 825, 826,
 &end
#
#    0 AMB  25-3:2061    52 LYS  QD          4.50    (#   2061:25  Single Ambig)
 &rst
  ixpk= 2061, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1057, 820,
 igr2= 825, 826,
 &end
#
#   30 ILE  HN           30 ILE  HG1+        5.50    (#   2062:25  Preassigned    3.07, 3.60 A)
 &rst
  ixpk= 2062, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 442, 443,
 &end
#
#    0 AMB  25-3:2063     0 AMB  25-1:2063   5.50    (#   2063:25  Double Ambig)
 &rst
  ixpk= 2063, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 220,  76, 167,
 igr2= 442, 443,  55,  56, 442, 443,
 &end
#
#   30 ILE  HA           30 ILE  HG1+        5.50    (#   2065:25  Preassigned    2.55, 2.93 A)
 &rst
  ixpk= 2065, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 442, 443,
 &end
#
#    0 AMB  25-3:2067     0 AMB  25-1:2067   5.50    (#   2067:25  Double Ambig)
 &rst
  ixpk= 2067, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 939, 398, 399,
 igr2=  55,  56, 442, 443,
 &end
#
#    0 AMB  25-3:2068     0 AMB  25-1:2068   2.80    (#   2068:25  Double Ambig)
 &rst
  ixpk= 2068, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 436,1038,1039,1073,
 igr2= 442, 443,1075,
 &end
#
#    0 AMB  25-3:2069     0 AMB  25-1:2069   5.50    (#   2069:25  Double Ambig)
 &rst
  ixpk= 2069, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1070,1036,
 igr2=1075,1022,
 &end
#
#    0 AMB  25-3:2070     0 AMB  25-1:2070   3.50    (#   2070:25  Double Ambig)
 &rst
  ixpk= 2070, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1=1081,1082,1083, 138, 139, 140, 142, 143, 144, 460,
       461, 462, 464, 465, 466, 460, 461, 462, 464, 465,
       466,
 igr2=1075,  55,  56,
 &end
#
#    5 ILE  HN            5 ILE  HG1+        4.50    (#   2071:25  Unique         2.07, 2.97 A)
 &rst
  ixpk= 2071, nxpk= 25, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  55,  56,
 &end
#
#   30 ILE  HA           30 ILE  HG1-        5.50    (#   2072:25  Preassigned    2.55, 2.93 A)
 &rst
  ixpk= 2072, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 442, 443,
 &end
#
#   30 ILE  HN           30 ILE  HG1-        5.50    (#   2074:25  Preassigned    3.07, 3.60 A)
 &rst
  ixpk= 2074, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 442, 443,
 &end
#
#    0 AMB  25-3:2075    30 ILE  HG1-        5.50    (#   2075:25  Single Ambig)
 &rst
  ixpk= 2075, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 220, 167,
 igr2= 442, 443,
 &end
#
#   39 PRO  HA           30 ILE  HG1-        5.50    (#   2076:25  Preassigned    2.40, 3.35 A)
 &rst
  ixpk= 2076, nxpk= 25, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 442, 443,
 &end
#
#   30 ILE  HB           30 ILE  HG1-        4.50    (#   2077:25  Preassigned    2.44, 2.75 A)
 &rst
  ixpk= 2077, nxpk= 25, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 442, 443,
 &end
#
#   65 LEU  HA            0 AMB  25-1:2078   5.50    (#   2078:25  Single Ambig)
 &rst
  ixpk= 2078, nxpk= 25, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1022,  55,  56,
 &end
#
#   38 ILE  HA           38 ILE  HG1+        4.50    (#   2079:25  Preassigned    2.68, 3.13 A)
 &rst
  ixpk= 2079, nxpk= 25, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 605, 606,
 &end
#
#   33 SER  HB2          38 ILE  HG1+        5.50    (#   2080:25  Preassigned    2.48, 3.49 A)
 &rst
  ixpk= 2080, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   33 SER  HB3          38 ILE  HG1+        5.50    (#   2081:25  Preassigned    3.95, 4.78 A)
 &rst
  ixpk= 2081, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   38 ILE  HB           38 ILE  HG1+        3.50    (#   2082:25  Preassigned    2.46, 2.77 A)
 &rst
  ixpk= 2082, nxpk= 25, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 605, 606,
 &end
#
#    0 AMB  25-3:2084     0 AMB  25-1:2084   2.80    (#   2084:25  Double Ambig)
 &rst
  ixpk= 2084, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 608, 609, 610,1024,1025,1026,1028,1029,1030,1043,
      1044,1045,1047,1048,1049,1043,1044,1045,1047,1048,
      1049,
 igr2= 605, 606,1022,
 &end
#
#    0 AMB  25-3:2085    65 LEU  HG          2.80    (#   2085:25  Single Ambig)
 &rst
  ixpk= 2085, nxpk= 25, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=  58,  59,  60,1024,1025,1026,1028,1029,1030, 634,
       635, 636, 641, 642, 643,
 &end
#
#    0 AMB  25-3:2086     0 AMB  25-1:2086   4.50    (#   2086:25  Double Ambig)
 &rst
  ixpk= 2086, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1068, 595,
 igr2=1075, 605, 606,
 &end
#
#    0 AMB  25-3:2087     0 AMB  25-1:2087   5.50    (#   2087:25  Double Ambig)
 &rst
  ixpk= 2087, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 567, 574, 575, 576,
 igr2= 605, 606, 605, 606,
 &end
#
#   38 ILE  QG2          38 ILE  HG1+        3.50    (#   2088:25  Preassigned    2.27, 3.54 A)
 &rst
  ixpk= 2088, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 601, 602, 603,
 igr2= 605, 606,
 &end
#
#   11 LEU  HA           11 LEU  HG          5.50    (#   2089:25  Preassigned    2.87, 2.96 A)
 &rst
  ixpk= 2089, nxpk= 25, iat= 131, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HA           11 LEU  HG          5.50    (#   2090:25  Preassigned    3.11, 3.96 A)
 &rst
  ixpk= 2090, nxpk= 25, iat= 883, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  QG2          11 LEU  HG          4.50    (#   2091:25  Unique         2.35, 2.87 A)
 &rst
  ixpk= 2091, nxpk= 25, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 204, 205, 206,
 &end
#
#   11 LEU  HN           11 LEU  HG          5.50    (#   2092:25  Preassigned    4.09, 4.49 A)
 &rst
  ixpk= 2092, nxpk= 25, iat= 129, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HB3          11 LEU  HG          4.50    (#   2093:25  Preassigned    2.37, 2.53 A)
 &rst
  ixpk= 2093, nxpk= 25, iat= 134, 136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ILE  QG2          38 ILE  HG1-        3.50    (#   2094:25  Preassigned    2.27, 3.54 A)
 &rst
  ixpk= 2094, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 601, 602, 603,
 igr2= 605, 606,
 &end
#
#   38 ILE  HN           38 ILE  HG1-        5.50    (#   2095:25  Preassigned    2.81, 3.42 A)
 &rst
  ixpk= 2095, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   38 ILE  HA           38 ILE  HG1-        4.50    (#   2096:25  Preassigned    2.68, 3.13 A)
 &rst
  ixpk= 2096, nxpk= 25, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 605, 606,
 &end
#
#   33 SER  HB3          38 ILE  HG1-        5.50    (#   2097:25  Preassigned    3.95, 4.78 A)
 &rst
  ixpk= 2097, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#    0 AMB  25-3:2098    38 ILE  HG1-        5.50    (#   2098:25  Single Ambig)
 &rst
  ixpk= 2098, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 568, 587, 588,
 igr2= 605, 606,
 &end
#
#   38 ILE  HB           38 ILE  HG1-        4.50    (#   2099:25  Preassigned    2.46, 2.77 A)
 &rst
  ixpk= 2099, nxpk= 25, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 605, 606,
 &end
#
#   31 LEU  HB3          38 ILE  HG1-        5.50    (#   2100:25  Preassigned    3.66, 4.69 A)
 &rst
  ixpk= 2100, nxpk= 25, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   38 ILE  QD1          38 ILE  HG1-        3.50    (#   2102:25  Preassigned    2.33, 2.64 A)
 &rst
  ixpk= 2102, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 608, 609, 610,
 igr2= 605, 606,
 &end
#
#   52 LYS  HN           66 LEU  QD+         5.50    (#   2103:25  Preassigned    2.99, 5.75 A)
 &rst
  ixpk= 2103, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   66 LEU  HA           66 LEU  QD+         4.50    (#   2104:25  Preassigned    2.17, 3.88 A)
 &rst
  ixpk= 2104, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   51 VAL  HA           66 LEU  QD+         4.50    (#   2105:25  Preassigned    2.09, 4.51 A)
 &rst
  ixpk= 2105, nxpk= 25, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   51 VAL  HB           66 LEU  QD+         5.50    (#   2106:25  Preassigned    4.46, 6.55 A)
 &rst
  ixpk= 2106, nxpk= 25, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   51 VAL  QG1          66 LEU  QD+         4.50    (#   2107:25  Preassigned    2.33, 5.22 A)
 &rst
  ixpk= 2107, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 805, 806, 807,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   16 VAL  QG1          66 LEU  QD+         4.50    (#   2108:25  Preassigned    2.31, 4.68 A)
 &rst
  ixpk= 2108, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 233, 234, 235,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   65 LEU  HN           65 LEU  QD-         5.50    (#   2109:25  Preassigned    4.85, 5.48 A)
 &rst
  ixpk= 2109, nxpk= 25, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HA           65 LEU  QD-         5.50    (#   2110:25  Preassigned    3.71, 5.88 A)
 &rst
  ixpk= 2110, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HN           65 LEU  QD-         5.50    (#   2112:25  Preassigned    3.75, 5.21 A)
 &rst
  ixpk= 2112, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   65 LEU  HA           65 LEU  QD-         5.50    (#   2113:25  Preassigned    2.25, 3.88 A)
 &rst
  ixpk= 2113, nxpk= 25, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2114    65 LEU  QD-         5.50    (#   2114:25  Single Ambig)
 &rst
  ixpk= 2114, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  22, 842,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HB+          65 LEU  QD-         5.50    (#   2115:25  Preassigned    2.23, 5.51 A)
 &rst
  ixpk= 2115, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1038,1039,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2116    65 LEU  QD-         3.50    (#   2116:25  Single Ambig)
 &rst
  ixpk= 2116, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1038,1039,1020, 632,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2117    65 LEU  QD-         2.80    (#   2117:25  Single Ambig)
 &rst
  ixpk= 2117, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=  55,  56,1022, 426, 427, 428,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   65 LEU  HB2          65 LEU  QD-         4.50    (#   2118:25  Preassigned    2.37, 3.30 A)
 &rst
  ixpk= 2118, nxpk= 25, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2119    65 LEU  QD-         5.50    (#   2119:25  Single Ambig)
 &rst
  ixpk= 2119, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 200, 201, 202, 844, 845, 805, 806, 807,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    3 VAL  QG1          65 LEU  QD-         5.50    (#   2120:25  Preassigned    2.61, 5.90 A)
 &rst
  ixpk= 2120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  24,  25,  26,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   32 GLU  HN           40 ILE  HG1+        7.00    (#   2121:25  Preassigned    6.48, 6.84 A)
 &rst
  ixpk= 2121, nxpk= 25, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 638, 639,
 &end
#
#    0 AMB  25-3:2123     0 AMB  25-1:2123   5.50    (#   2123:25  Double Ambig)
 &rst
  ixpk= 2123, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 456, 819,
 igr2= 605, 606,1022,
 &end
#
#   11 LEU  QD-          11 LEU  HG          5.50    (#   2124:25  Unique         2.37, 2.67 A)
 &rst
  ixpk= 2124, nxpk= 25, iat=  -1, 136, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   66 LEU  HB-          66 LEU  QD+         3.50    (#   2125:25  Preassigned    2.31, 3.27 A)
 &rst
  ixpk= 2125, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1038,1039,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#    0 AMB  25-3:2126     0 AMB  25-1:2126   5.50    (#   2126:25  Double Ambig)
 &rst
  ixpk= 2126, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
 igr1= 822, 823, 321, 322,1019,
 igr2=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,1043,1044,1045,1047,1048,1049,
 &end
#
#   67 GLU  HN           66 LEU  QD+         5.50    (#   2128:25  Preassigned    2.56, 4.68 A)
 &rst
  ixpk= 2128, nxpk= 25, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   28 VAL  HB           65 LEU  QD-         5.50    (#   2129:25  Preassigned    3.51, 5.24 A)
 &rst
  ixpk= 2129, nxpk= 25, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2130     0 AMB  25-1:2130   5.50    (#   2130:25  Double Ambig)
 &rst
  ixpk= 2130, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 470, 194,
 igr2= 458, 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2131     0 AMB  25-1:2131   2.80    (#   2131:25  Double Ambig)
 &rst
  ixpk= 2131, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 638, 639, 841, 455,
 igr2= 458, 138, 139, 140, 142, 143, 144,
 &end
#
#   66 LEU  HB+          66 LEU  HG          5.50    (#   2132:25  Preassigned    2.42, 2.79 A)
 &rst
  ixpk= 2132, nxpk= 25, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1038,1039,
 &end
#
#    0 AMB  25-3:2133    66 LEU  HG          2.80    (#   2133:25  Single Ambig)
 &rst
  ixpk= 2133, nxpk= 25, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049, 237, 238, 239,
 &end
#
#   66 LEU  QD-          65 LEU  HG          5.50    (#   2134:25  Preassigned    2.18, 4.97 A)
 &rst
  ixpk= 2134, nxpk= 25, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2135    66 LEU  HG          5.50    (#   2135:25  Single Ambig)
 &rst
  ixpk= 2135, nxpk= 25, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 756, 757, 758,  28,  29,  30,
 &end
#
#    3 VAL  HB           66 LEU  HG          5.50    (#   2136:25  Preassigned    2.82, 4.21 A)
 &rst
  ixpk= 2136, nxpk= 25, iat=  22,1041, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HN           40 ILE  HG1+        5.50    (#   2137:25  Preassigned    2.74, 3.52 A)
 &rst
  ixpk= 2137, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 638, 639,
 &end
#
#   40 ILE  HN           40 ILE  HG1+        4.50    (#   2138:25  Preassigned    2.67, 3.47 A)
 &rst
  ixpk= 2138, nxpk= 25, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 638, 639,
 &end
#
#   40 ILE  HA           40 ILE  HG1+        5.50    (#   2139:25  Preassigned    2.95, 3.49 A)
 &rst
  ixpk= 2139, nxpk= 25, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 638, 639,
 &end
#
#   40 ILE  HB           40 ILE  HG1+        3.50    (#   2140:25  Preassigned    2.41, 2.53 A)
 &rst
  ixpk= 2140, nxpk= 25, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 638, 639,
 &end
#
#    0 AMB  25-3:2142     0 AMB  25-1:2142   2.80    (#   2142:25  Double Ambig)
 &rst
  ixpk= 2142, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 641, 642, 643, 634, 635, 636,  58,  59,  60,
 igr2= 638, 639, 638, 639, 638, 639,
 &end
#
#   30 ILE  HA           40 ILE  HG1+        5.50    (#   2143:25  Preassigned    2.39, 3.36 A)
 &rst
  ixpk= 2143, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 638, 639,
 &end
#
#    0 AMB  25-3:2144     0 AMB  25-1:2144   3.50    (#   2144:25  Double Ambig)
 &rst
  ixpk= 2144, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 458, 138, 139, 140, 142, 143, 144, 460, 461, 462,
       464, 465, 466,
 igr2= 638, 639, 638, 639, 638, 639,
 &end
#
#   40 PRO  HA           39 ILE  HG1+        5.50    (#   2145:25  Preassigned    3.43, 4.39 A)
 &rst
  ixpk= 2145, nxpk= 25, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 638, 639,
 &end
#
#   31 LEU  HN           40 ILE  HG1-        5.50    (#   2146:25  Preassigned    2.74, 3.52 A)
 &rst
  ixpk= 2146, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 638, 639,
 &end
#
#   30 ILE  HA           40 ILE  HG1-        5.50    (#   2147:25  Preassigned    2.39, 3.36 A)
 &rst
  ixpk= 2147, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 638, 639,
 &end
#
#   40 ILE  HN           40 ILE  HG1-        5.50    (#   2148:25  Preassigned    2.67, 3.47 A)
 &rst
  ixpk= 2148, nxpk= 25, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 638, 639,
 &end
#
#   40 ILE  HA           40 ILE  HG1-        4.50    (#   2149:25  Preassigned    2.95, 3.49 A)
 &rst
  ixpk= 2149, nxpk= 25, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 638, 639,
 &end
#
#    0 AMB  25-3:2150    40 ILE  HG1-        2.80    (#   2150:25  Single Ambig)
 &rst
  ixpk= 2150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 641, 642, 643,  58,  59,  60,
 igr2= 638, 639,
 &end
#
#   40 ILE  HB           40 ILE  HG1-        2.80    (#   2151:25  Preassigned    2.41, 2.53 A)
 &rst
  ixpk= 2151, nxpk= 25, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 638, 639,
 &end
#
#   35 MET  HA           34 BTL  HG+         5.50    (#   2152:25  Preassigned    3.44, 4.36 A)
 &rst
  ixpk= 2152, nxpk= 25, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#   35 BTL  HB2          35 BTL  HG+         4.50    (#   2153:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 2153, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 520, 521,
 &end
#
#   35 BTL  HD-          35 BTL  HG+         2.80    (#   2154:25  Preassigned    2.36, 2.74 A)
 &rst
  ixpk= 2154, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 523, 524,
 igr2= 520, 521,
 &end
#
#   35 BTL  HN           35 BTL  HG+         5.50    (#   2155:25  Preassigned    3.08, 3.59 A)
 &rst
  ixpk= 2155, nxpk= 25, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#   35 BTL  HB3          35 BTL  HG+         4.50    (#   2156:25  Preassigned    2.36, 2.77 A)
 &rst
  ixpk= 2156, nxpk= 25, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 520, 521,
 &end
#
#   35 BTL  HZ1          35 BTL  HG+         5.50    (#   2157:25  Preassigned    2.25, 3.10 A)
 &rst
  ixpk= 2157, nxpk= 25, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#   35 BTL  HA           35 BTL  HG+         5.50    (#   2158:25  Preassigned    2.21, 2.89 A)
 &rst
  ixpk= 2158, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#   35 BTL  HE-          35 BTL  HG+         5.50    (#   2159:25  Preassigned    2.46, 3.37 A)
 &rst
  ixpk= 2159, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 526, 527,
 igr2= 520, 521,
 &end
#
#   35 BTL  HE+          35 BTL  HG+         5.50    (#   2160:25  Preassigned    2.46, 3.37 A)
 &rst
  ixpk= 2160, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 526, 527,
 igr2= 520, 521,
 &end
#
#   35 BTL  HA           35 BTL  HG-         4.50    (#   2161:25  Preassigned    2.21, 2.89 A)
 &rst
  ixpk= 2161, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 520, 521,
 &end
#
#   35 BTL  HD-          35 BTL  HG-         2.80    (#   2162:25  Preassigned    2.36, 2.74 A)
 &rst
  ixpk= 2162, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 523, 524,
 igr2= 520, 521,
 &end
#
#   35 BTL  HN           35 BTL  HG-         5.50    (#   2163:25  Preassigned    3.08, 3.59 A)
 &rst
  ixpk= 2163, nxpk= 25, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#   35 MET  HA           34 BTL  HG-         5.50    (#   2164:25  Preassigned    3.44, 4.36 A)
 &rst
  ixpk= 2164, nxpk= 25, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#   35 BTL  HE-          35 BTL  HG-         5.50    (#   2165:25  Preassigned    2.46, 3.37 A)
 &rst
  ixpk= 2165, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 526, 527,
 igr2= 520, 521,
 &end
#
#   35 BTL  HE+          35 BTL  HG-         5.50    (#   2166:25  Preassigned    2.46, 3.37 A)
 &rst
  ixpk= 2166, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 526, 527,
 igr2= 520, 521,
 &end
#
#   35 BTL  HB2          35 BTL  HG-         4.50    (#   2167:25  Preassigned    2.38, 2.73 A)
 &rst
  ixpk= 2167, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 520, 521,
 &end
#
#   35 BTL  HB3          35 BTL  HG-         4.50    (#   2168:25  Preassigned    2.36, 2.77 A)
 &rst
  ixpk= 2168, nxpk= 25, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 520, 521,
 &end
#
#   35 BTL  HZ1          35 BTL  HG-         5.50    (#   2169:25  Preassigned    2.25, 3.10 A)
 &rst
  ixpk= 2169, nxpk= 25, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 520, 521,
 &end
#
#   66 LEU  HN           66 LEU  QD-         5.50    (#   2170:25  Preassigned    4.18, 5.32 A)
 &rst
  ixpk= 2170, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   48 VAL  HA           66 LEU  QD-         5.50    (#   2171:25  Preassigned    3.40, 5.27 A)
 &rst
  ixpk= 2171, nxpk= 25, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#    3 VAL  HB           66 LEU  QD-         4.50    (#   2172:25  Preassigned    2.66, 4.74 A)
 &rst
  ixpk= 2172, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   66 LEU  HB+          66 LEU  QD-         3.50    (#   2173:25  Preassigned    2.31, 3.27 A)
 &rst
  ixpk= 2173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1038,1039,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   66 LEU  HB-          66 LEU  QD-         3.50    (#   2174:25  Preassigned    2.31, 3.27 A)
 &rst
  ixpk= 2174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1038,1039,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   66 LEU  HG           66 LEU  QD-         3.50    (#   2175:25  Preassigned    2.38, 2.67 A)
 &rst
  ixpk= 2175, nxpk= 25, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   31 LEU  HN           31 LEU  HG          5.50    (#   2176:25  Preassigned    2.94, 3.01 A)
 &rst
  ixpk= 2176, nxpk= 25, iat= 451, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:2177     0 AMB  25-1:2177   5.50    (#   2177:25  Double Ambig)
 &rst
  ixpk= 2177, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
 igr1= 148, 935, 115, 628,
 igr2= 138, 139, 140, 142, 143, 144, 458,
 &end
#
#   57 ASP  HN           11 LEU  QD-         5.50    (#   2178:25  Preassigned    3.72, 5.95 A)
 &rst
  ixpk= 2178, nxpk= 25, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    7 MET  HN           31 LEU  HG          7.00    (#   2180:25  Preassigned    5.15, 5.61 A)
 &rst
  ixpk= 2180, nxpk= 25, iat=  81, 458, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   53 LYS  HA           11 LEU  QD-         5.50    (#   2182:25  Preassigned    4.43, 6.50 A)
 &rst
  ixpk= 2182, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   39 PRO  HA           31 LEU  HG          7.00    (#   2183:25  Preassigned    5.35, 5.65 A)
 &rst
  ixpk= 2183, nxpk= 25, iat= 624, 458, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:2184     0 AMB  25-1:2184   5.50    (#   2184:25  Double Ambig)
 &rst
  ixpk= 2184, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
 igr1= 434, 174, 937,
 igr2= 458, 138, 139, 140, 142, 143, 144,
 &end
#
#    9 GLY  HA+          31 LEU  HG          5.50    (#   2185:25  Preassigned    5.25, 6.26 A)
 &rst
  ixpk= 2185, nxpk= 25, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#    0 AMB  25-3:2186     0 AMB  25-1:2186   5.50    (#   2186:25  Double Ambig)
 &rst
  ixpk= 2186, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
 igr1= 196,  47, 110, 111,
 igr2= 138, 139, 140, 142, 143, 144, 458,
 &end
#
#   33 SER  HB2          31 LEU  HG          7.00    (#   2187:25  Preassigned    6.18, 6.43 A)
 &rst
  ixpk= 2187, nxpk= 25, iat= 489, 458, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   55 GLU  HA           11 LEU  QD-         5.50    (#   2188:25  Preassigned    3.14, 5.82 A)
 &rst
  ixpk= 2188, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    7 MET  QG           31 LEU  HG          7.00    (#   2189:25  Preassigned    5.90, 6.75 A)
 &rst
  ixpk= 2189, nxpk= 25, iat=  -1, 458, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  88,  89,
 &end
#
#   59 VAL  HB           11 LEU  QD-         5.50    (#   2190:25  Preassigned    3.91, 5.51 A)
 &rst
  ixpk= 2190, nxpk= 25, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   38 ILE  HB           31 LEU  HG          4.50    (#   2191:25  Preassigned    3.63, 3.81 A)
 &rst
  ixpk= 2191, nxpk= 25, iat= 599, 458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LEU  HB3          31 LEU  HG          4.50    (#   2192:25  Preassigned    3.01, 3.04 A)
 &rst
  ixpk= 2192, nxpk= 25, iat= 456, 458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:2193     0 AMB  25-1:2193   4.50    (#   2193:25  Double Ambig)
 &rst
  ixpk= 2193, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1=  51,  52,  53, 601, 602, 603,
 igr2= 458, 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2194     0 AMB  25-1:2194   2.80    (#   2194:25  Double Ambig)
 &rst
  ixpk= 2194, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 638, 639, 136,
 igr2= 458, 138, 139, 140, 142, 143, 144,
 &end
#
#   48 VAL  QG2          22 ILE  HG1-        4.50    (#   2195:25  Preassigned    2.73, 4.40 A)
 &rst
  ixpk= 2195, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 756, 757, 758,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-3:2196    22 ILE  HG1-        4.50    (#   2196:25  Single Ambig)
 &rst
  ixpk= 2196, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 711, 729,
 igr2= 321, 322,
 &end
#
#   22 ILE  QD1          22 ILE  HG1-        2.80    (#   2198:25  Preassigned    2.35, 2.65 A)
 &rst
  ixpk= 2198, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 324, 325, 326,
 igr2= 321, 322,
 &end
#
#   68 LEU  QD2          22 ILE  HG1-        5.50    (#   2199:25  Preassigned    2.88, 4.37 A)
 &rst
  ixpk= 2199, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1081,1082,1083,
 igr2= 321, 322,
 &end
#
#   22 ILE  HA           22 ILE  HG1-        5.50    (#   2200:25  Preassigned    3.74, 3.80 A)
 &rst
  ixpk= 2200, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 321, 322,
 &end
#
#   66 LEU  QD+          22 ILE  HG1-        5.50    (#   2201:25  Unique         4.42, 6.40 A)
 &rst
  ixpk= 2201, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1043,1044,1045,1047,1048,1049,
 igr2= 321, 322,
 &end
#
#   48 VAL  QG2          22 ILE  HG1+        4.50    (#   2202:25  Preassigned    2.73, 4.40 A)
 &rst
  ixpk= 2202, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 756, 757, 758,
 igr2= 321, 322,
 &end
#
#   22 ILE  HN           22 ILE  HG1+        4.50    (#   2203:25  Unique         2.36, 2.80 A)
 &rst
  ixpk= 2203, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#   46 GLY  HN           22 ILE  HG1+        5.50    (#   2204:25  Preassigned    2.61, 3.01 A)
 &rst
  ixpk= 2204, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 321, 322,
 &end
#
#   68 LEU  QD2          22 ILE  HG1+        4.50    (#   2205:25  Preassigned    2.88, 4.37 A)
 &rst
  ixpk= 2205, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1081,1082,1083,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-3:2206    66 LEU  QD-         5.50    (#   2206:25  Single Ambig)
 &rst
  ixpk= 2206, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 408,1055,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#    0 AMB  25-3:2207    66 LEU  QD-         5.50    (#   2207:25  Single Ambig)
 &rst
  ixpk= 2207, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 410, 231,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   16 VAL  QG1          66 LEU  QD-         3.50    (#   2208:25  Preassigned    2.31, 4.68 A)
 &rst
  ixpk= 2208, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 233, 234, 235,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   68 LEU  QD2          66 LEU  QD-         3.50    (#   2209:25  Preassigned    2.23, 4.40 A)
 &rst
  ixpk= 2209, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1081,1082,1083,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   44 ARG  HN           68 LEU  QD1         5.50    (#   2210:25  Preassigned    3.70, 4.74 A)
 &rst
  ixpk= 2210, nxpk= 25, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1077,1078,1079,
 &end
#
#   31 ILE  HN           30 LEU  QD-         5.50    (#   2212:25  Preassigned    4.78, 7.06 A)
 &rst
  ixpk= 2212, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   11 LEU  HN           31 LEU  QD-         5.50    (#   2213:25  Preassigned    4.17, 6.33 A)
 &rst
  ixpk= 2213, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   33 SER  HN           31 LEU  QD-         5.50    (#   2215:25  Preassigned    5.81, 6.85 A)
 &rst
  ixpk= 2215, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    0 AMB  25-3:2217    31 LEU  QD-         5.50    (#   2217:25  Single Ambig)
 &rst
  ixpk= 2217, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 487, 953,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   11 LEU  HA           31 LEU  QD-         4.50    (#   2219:25  Preassigned    2.33, 4.78 A)
 &rst
  ixpk= 2219, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   33 SER  HB3          31 LEU  QD-         5.50    (#   2220:25  Preassigned    4.64, 6.27 A)
 &rst
  ixpk= 2220, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    10 ASN  HB2          31 LEU  QD-         5.50    (#   2221:25  Preassigned    5.39, 7.27 A)
 &rst
  ixpk= 2221, nxpk= 25, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   11 LEU  HB3          31 LEU  QD-         4.50    (#   2223:25  Unique         4.91, 7.22 A)
 &rst
  ixpk= 2223, nxpk= 25, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    0 AMB  25-3:2225    31 LEU  QD-         3.50    (#   2225:25  Single Ambig)
 &rst
  ixpk= 2225, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 133, 426, 427, 428,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   38 ILE  QD1          31 LEU  QD-         2.80    (#   2227:25  Preassigned    2.41, 5.49 A)
 &rst
  ixpk= 2227, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 608, 609, 610,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   60 ASN  HN           31 LEU  QD-         5.50    (#   2228:25  Unique         5.45, 6.80 A)
 &rst
  ixpk= 2228, nxpk= 25, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   22 ILE  HN           22 ILE  HG1-        4.50    (#   2229:25  Unique         2.36, 2.80 A)
 &rst
  ixpk= 2229, nxpk= 25, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#   46 GLY  HN           22 ILE  HG1-        4.50    (#   2230:25  Preassigned    2.61, 3.01 A)
 &rst
  ixpk= 2230, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#   22 ILE  HB           22 ILE  HG1+        4.50    (#   2231:25  Preassigned    2.45, 2.77 A)
 &rst
  ixpk= 2231, nxpk= 25, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 321, 322,
 &end
#
#   22 ILE  QG2          22 ILE  HG1+        4.50    (#   2233:25  Preassigned    2.52, 3.57 A)
 &rst
  ixpk= 2233, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 317, 318, 319,
 igr2= 321, 322,
 &end
#
#   22 ILE  QD1          22 ILE  HG1+        3.50    (#   2234:25  Preassigned    2.35, 2.65 A)
 &rst
  ixpk= 2234, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 324, 325, 326,
 igr2= 321, 322,
 &end
#
#   22 ILE  HA           22 ILE  HG1+        5.50    (#   2235:25  Preassigned    3.74, 3.80 A)
 &rst
  ixpk= 2235, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 321, 322,
 &end
#
#   45 SER  HA           22 ILE  HG1+        5.50    (#   2236:25  Preassigned    2.47, 3.55 A)
 &rst
  ixpk= 2236, nxpk= 25, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-3:2237     0 AMB  25-1:2237   5.50    (#   2237:25  Double Ambig)
 &rst
  ixpk= 2237, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 igr2= 321, 322, 321, 322,
 &end
#
#   11 LEU  HB2          31 LEU  QD+         4.50    (#   2238:25  Preassigned    3.66, 5.90 A)
 &rst
  ixpk= 2238, nxpk= 25, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   57 ASP  HB3          11 LEU  QD+         5.50    (#   2239:25  Preassigned    2.46, 5.51 A)
 &rst
  ixpk= 2239, nxpk= 25, iat= 908,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   57 ASP  HB2          11 LEU  QD+         5.50    (#   2240:25  Preassigned    3.93, 6.77 A)
 &rst
  ixpk= 2240, nxpk= 25, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  HN           11 LEU  QD+         5.50    (#   2241:25  Preassigned    2.75, 4.98 A)
 &rst
  ixpk= 2241, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   30 ILE  HN           11 LEU  QD+         5.50    (#   2242:25  Preassigned    3.17, 4.92 A)
 &rst
  ixpk= 2242, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   54 LYS  HN           11 LEU  QD+         5.50    (#   2243:25  Preassigned    2.70, 5.40 A)
 &rst
  ixpk= 2243, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2244     0 AMB  25-1:2244   5.50    (#   2244:25  Double Ambig)
 &rst
  ixpk= 2244, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1= 148, 935, 115,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144, 138, 139, 140, 142, 143, 144,
 &end
#
#   57 ASP  HN           11 LEU  QD+         5.50    (#   2245:25  Preassigned    3.72, 5.95 A)
 &rst
  ixpk= 2245, nxpk= 25, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   13 LYS  HN           11 LEU  QD+         5.50    (#   2246:25  Preassigned    3.68, 5.78 A)
 &rst
  ixpk= 2246, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   54 LYS  HA           11 LEU  QD+         5.50    (#   2247:25  Preassigned    3.61, 6.13 A)
 &rst
  ixpk= 2247, nxpk= 25, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  HA           11 LEU  QD+         4.50    (#   2248:25  Preassigned    2.14, 3.74 A)
 &rst
  ixpk= 2248, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#   55 GLU  HA           11 LEU  QD+         5.50    (#   2249:25  Preassigned    3.14, 5.82 A)
 &rst
  ixpk= 2249, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2250     0 AMB  25-1:2250   5.50    (#   2250:25  Double Ambig)
 &rst
  ixpk= 2250, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 939, 198,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   53 LYS  HB3          11 LEU  QD+         4.50    (#   2251:25  Preassigned    2.38, 4.20 A)
 &rst
  ixpk= 2251, nxpk= 25, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:2252     0 AMB  25-1:2252   2.80    (#   2252:25  Double Ambig)
 &rst
  ixpk= 2252, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 426, 427, 428, 133,1072, 844, 845,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,1077,1078,1079, 138, 139, 140, 142, 143,
       144,
 &end
#
#    0 AMB  25-3:2253     0 AMB  25-1:2253   2.80    (#   2253:25  Double Ambig)
 &rst
  ixpk= 2253, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 841, 692, 693,
 igr2= 138, 139, 140, 142, 143, 144,1077,1078,1079,
 &end
#
#    0 AMB  25-3:2254     0 AMB  25-1:2254   5.50    (#   2254:25  Double Ambig)
 &rst
  ixpk= 2254, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
 igr1= 844, 845, 200, 201, 202,
 igr2= 138, 139, 140, 142, 143, 144, 138, 139, 140, 142,
       143, 144,
 &end
#
#   47 ILE  HN           68 LEU  QD1         5.50    (#   2255:25  Preassigned    3.94, 5.64 A)
 &rst
  ixpk= 2255, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1077,1078,1079,
 &end
#
#   46 GLY  HN           68 LEU  QD1         5.50    (#   2256:25  Preassigned    3.84, 5.26 A)
 &rst
  ixpk= 2256, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1077,1078,1079,
 &end
#
#   68 LEU  HA           68 LEU  QD1         5.50    (#   2257:25  Preassigned    4.38, 4.77 A)
 &rst
  ixpk= 2257, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1077,1078,1079,
 &end
#
#   46 GLY  HA-          68 LEU  QD1         5.50    (#   2259:25  Preassigned    2.25, 4.66 A)
 &rst
  ixpk= 2259, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 722, 723,
 igr2=1077,1078,1079,
 &end
#
#    0 AMB  25-3:2260    68 LEU  QD1         5.50    (#   2260:25  Single Ambig)
 &rst
  ixpk= 2260, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1116,1117,1116,1117,
 igr2=1077,1078,1079,
 &end
#
#   44 ARG  HB+          68 LEU  QD1         5.50    (#   2261:25  Unique         2.33, 5.04 A)
 &rst
  ixpk= 2261, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 689, 690,
 igr2=1077,1078,1079,
 &end
#
#    0 AMB  25-3:2262     0 AMB  25-1:2262   3.50    (#   2262:25  Double Ambig)
 &rst
  ixpk= 2262, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 134,1073,
 igr2= 138, 139, 140, 142, 143, 144,1077,1078,1079,
 &end
#
#    3 VAL  QG1          68 LEU  QD1         4.50    (#   2263:25  Unique         5.14, 6.86 A)
 &rst
  ixpk= 2263, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  24,  25,  26,
 igr2=1077,1078,1079,
 &end
#
#   68 LEU  HN           68 LEU  QD1         5.50    (#   2264:25  Preassigned    4.42, 5.01 A)
 &rst
  ixpk= 2264, nxpk= 25, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1077,1078,1079,
 &end
#
#   46 GLY  HA+          68 LEU  QD1         5.50    (#   2265:25  Preassigned    2.25, 4.66 A)
 &rst
  ixpk= 2265, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 722, 723,
 igr2=1077,1078,1079,
 &end
#
#   48 VAL  HA           68 LEU  QD1         5.50    (#   2266:25  Preassigned    4.80, 5.39 A)
 &rst
  ixpk= 2266, nxpk= 25, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1077,1078,1079,
 &end
#
#   44 ARG  QD           68 LEU  QD1         5.50    (#   2267:25  Preassigned    2.41, 5.10 A)
 &rst
  ixpk= 2267, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 695, 696,
 igr2=1077,1078,1079,
 &end
#
#    0 AMB  25-3:2269     0 AMB  25-1:2269   5.50    (#   2269:25  Double Ambig)
 &rst
  ixpk= 2269, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  64, 451,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    0 AMB  25-3:2270     0 AMB  25-1:2270   5.50    (#   2270:25  Double Ambig)
 &rst
  ixpk= 2270, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 117, 472,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    8 ALA  HA           31 LEU  QD+         5.50    (#   2271:25  Unique         5.06, 6.18 A)
 &rst
  ixpk= 2271, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    0 AMB  25-3:2272     0 AMB  25-1:2272   5.50    (#   2272:25  Double Ambig)
 &rst
  ixpk= 2272, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  83, 434,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    0 AMB  25-3:2273     0 AMB  25-1:2273   5.50    (#   2273:25  Double Ambig)
 &rst
  ixpk= 2273, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 939,  92,  93,  94,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    0 AMB  25-3:2274     0 AMB  25-1:2274   5.50    (#   2274:25  Double Ambig)
 &rst
  ixpk= 2274, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=  85,  86, 599,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   31 LEU  HB2          31 LEU  QD+         2.80    (#   2275:25  Preassigned    2.39, 3.50 A)
 &rst
  ixpk= 2275, nxpk= 25, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   44 ARG  HN           44 ARG  HG+         5.50    (#   2276:25  Preassigned    2.46, 3.44 A)
 &rst
  ixpk= 2276, nxpk= 25, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 692, 693,
 &end
#
#   44 ARG  QD           44 ARG  HG+         4.50    (#   2277:25  Preassigned    2.25, 2.67 A)
 &rst
  ixpk= 2277, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 695, 696,
 igr2= 692, 693,
 &end
#
#   44 ARG  HB-          44 ARG  HG+         3.50    (#   2278:25  Preassigned    2.25, 2.69 A)
 &rst
  ixpk= 2278, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 689, 690,
 igr2= 692, 693,
 &end
#
#    0 AMB  25-3:2280     0 AMB  25-1:2280   5.50    (#   2280:25  Double Ambig)
 &rst
  ixpk= 2280, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 687,  20,
 igr2= 692, 693, 692, 693,
 &end
#
#   44 ARG  HB+          44 ARG  HG+         4.50    (#   2281:25  Preassigned    2.25, 2.69 A)
 &rst
  ixpk= 2281, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 689, 690,
 igr2= 692, 693,
 &end
#
#   68 LEU  QD1          44 ARG  HG+         5.50    (#   2282:25  Preassigned    2.43, 3.73 A)
 &rst
  ixpk= 2282, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1077,1078,1079,
 igr2= 692, 693,
 &end
#
#    0 AMB  25-3:2283     0 AMB  25-1:2283   5.50    (#   2283:25  Double Ambig)
 &rst
  ixpk= 2283, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 709, 720,
 igr2= 692, 693, 692, 693,
 &end
#
#    3 VAL  QG1          44 ARG  HG+         5.50    (#   2284:25  Preassigned    3.26, 6.50 A)
 &rst
  ixpk= 2284, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  24,  25,  26,
 igr2= 692, 693,
 &end
#
#   68 LEU  QD1          44 ARG  HG-         4.50    (#   2285:25  Preassigned    2.43, 3.73 A)
 &rst
  ixpk= 2285, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1077,1078,1079,
 igr2= 692, 693,
 &end
#
#   67 GLU  HN           52 LYS  HG-         5.50    (#   2286:25  Preassigned    2.86, 4.20 A)
 &rst
  ixpk= 2286, nxpk= 25, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2287    44 ARG  HG-         5.50    (#   2287:25  Single Ambig)
 &rst
  ixpk= 2287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 687,  20,
 igr2= 692, 693,
 &end
#
#   44 ARG  HN           44 ARG  HG-         5.50    (#   2288:25  Preassigned    2.46, 3.44 A)
 &rst
  ixpk= 2288, nxpk= 25, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 692, 693,
 &end
#
#   44 ARG  HB+          44 ARG  HG-         4.50    (#   2289:25  Preassigned    2.25, 2.69 A)
 &rst
  ixpk= 2289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 689, 690,
 igr2= 692, 693,
 &end
#
#   44 ARG  QD           44 ARG  HG-         4.50    (#   2290:25  Preassigned    2.25, 2.67 A)
 &rst
  ixpk= 2290, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 695, 696,
 igr2= 692, 693,
 &end
#
#    0 AMB  25-3:2292    44 ARG  HG-         5.50    (#   2292:25  Single Ambig)
 &rst
  ixpk= 2292, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 709, 720,
 igr2= 692, 693,
 &end
#
#    0 AMB  25-3:2293    44 ARG  HG-         5.50    (#   2293:25  Single Ambig)
 &rst
  ixpk= 2293, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 675, 711,
 igr2= 692, 693,
 &end
#
#   49 VAL  QG1          48 LYS  HG-         5.50    (#   2294:25  Preassigned    5.74, 7.03 A)
 &rst
  ixpk= 2294, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 752, 753, 754,
 igr2= 769, 770,
 &end
#
#   52 LYS  HE+          52 LYS  HG+         5.50    (#   2295:25  Preassigned    2.35, 2.91 A)
 &rst
  ixpk= 2295, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 828, 829,
 igr2= 822, 823,
 &end
#
#   52 LYS  HN           52 LYS  HG+         4.50    (#   2296:25  Preassigned    2.23, 3.04 A)
 &rst
  ixpk= 2296, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 822, 823,
 &end
#
#   66 LEU  HA           52 LYS  HG+         5.50    (#   2297:25  Preassigned    2.51, 3.59 A)
 &rst
  ixpk= 2297, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2298     0 AMB  25-1:2298   4.50    (#   2298:25  Double Ambig)
 &rst
  ixpk= 2298, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 817, 801,
 igr2= 822, 823, 822, 823,
 &end
#
#   64 VAL  HB           52 LYS  HG+         5.50    (#   2299:25  Unique         2.20, 3.07 A)
 &rst
  ixpk= 2299, nxpk= 25, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2300     0 AMB  25-1:2300   4.50    (#   2300:25  Double Ambig)
 &rst
  ixpk= 2300, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 820,1057,
 igr2= 822, 823, 822, 823,
 &end
#
#    0 AMB  25-3:2301     0 AMB  25-1:2301   3.50    (#   2301:25  Double Ambig)
 &rst
  ixpk= 2301, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 819, 789,
 igr2= 822, 823, 822, 823,
 &end
#
#   66 LEU  HA           52 LYS  HG-         5.50    (#   2302:25  Preassigned    2.51, 3.59 A)
 &rst
  ixpk= 2302, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#   52 LYS  HN           52 LYS  HG-         4.50    (#   2303:25  Preassigned    2.23, 3.04 A)
 &rst
  ixpk= 2303, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 822, 823,
 &end
#
#   66 LEU  HA           52 LYS  HG-         5.50    (#   2304:25  Preassigned    2.51, 3.59 A)
 &rst
  ixpk= 2304, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2305    52 LYS  HG-         4.50    (#   2305:25  Single Ambig)
 &rst
  ixpk= 2305, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 817, 801,
 igr2= 822, 823,
 &end
#
#   25 GLY  HA-          24 LYS  QG          5.50    (#   2306:25  Preassigned    3.63, 4.43 A)
 &rst
  ixpk= 2306, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 369, 370,
 igr2= 352, 353,
 &end
#
#   24 LYS  HA           24 LYS  QG          4.50    (#   2307:25  Preassigned    2.41, 2.81 A)
 &rst
  ixpk= 2307, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 352, 353,
 &end
#
#    0 AMB  25-3:2308     0 AMB  25-1:2308   4.50    (#   2308:25  Double Ambig)
 &rst
  ixpk= 2308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 828, 829, 358, 359,
 igr2= 822, 823, 352, 353,
 &end
#
#    0 AMB  25-3:2309    52 LYS  HG-         4.50    (#   2309:25  Single Ambig)
 &rst
  ixpk= 2309, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 820,1057,
 igr2= 822, 823,
 &end
#
#   64 VAL  HB           52 LYS  HG-         5.50    (#   2310:25  Unique         2.20, 3.07 A)
 &rst
  ixpk= 2310, nxpk= 25, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2311    52 LYS  HG-         4.50    (#   2311:25  Single Ambig)
 &rst
  ixpk= 2311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 819, 789,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2312     0 AMB  25-1:2312   2.80    (#   2312:25  Double Ambig)
 &rst
  ixpk= 2312, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 825, 826, 349,
 igr2= 822, 823, 352, 353,
 &end
#
#   64 VAL  QG1          52 LYS  HG-         4.50    (#   2314:25  Preassigned    3.31, 5.22 A)
 &rst
  ixpk= 2314, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1005,1006,1007,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2315    24 LYS  QG          5.50    (#   2315:25  Single Ambig)
 &rst
  ixpk= 2315, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 345, 709, 374,
 igr2= 352, 353,
 &end
#
#   43 ASP  HA           24 LYS  QG          4.50    (#   2316:25  Preassigned    2.61, 4.07 A)
 &rst
  ixpk= 2316, nxpk= 25, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 352, 353,
 &end
#
#   44 ARG  HA           24 LYS  QG          4.50    (#   2317:25  Preassigned    2.46, 3.78 A)
 &rst
  ixpk= 2317, nxpk= 25, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 352, 353,
 &end
#
#    0 AMB  25-3:2318    24 LYS  QG          2.80    (#   2318:25  Single Ambig)
 &rst
  ixpk= 2318, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 355, 356, 350,
 igr2= 352, 353,
 &end
#
#   64 VAL  QG1          52 LYS  HG+         4.50    (#   2319:25  Preassigned    3.31, 5.22 A)
 &rst
  ixpk= 2319, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1005,1006,1007,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2320     0 AMB  25-1:2320   4.50    (#   2320:25  Double Ambig)
 &rst
  ixpk= 2320, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 367,1015,
 igr2= 352, 353, 822, 823,
 &end
#
#   33 SER  HB2          31 LEU  QD+         5.50    (#   2321:25  Preassigned    4.38, 5.89 A)
 &rst
  ixpk= 2321, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   32 GLU  HN           31 LEU  QD+         5.50    (#   2322:25  Preassigned    3.73, 5.16 A)
 &rst
  ixpk= 2322, nxpk= 25, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    0 AMB  25-3:2323     0 AMB  25-1:2323   4.50    (#   2323:25  Double Ambig)
 &rst
  ixpk= 2323, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 115, 148,
 igr2= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    8 ALA  HN           31 LEU  QD+         5.50    (#   2324:25  Preassigned    4.81, 6.46 A)
 &rst
  ixpk= 2324, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    9 GLY  HN           31 LEU  QD+         5.50    (#   2325:25  Preassigned    4.27, 5.54 A)
 &rst
  ixpk= 2325, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    7 MET  HN           31 LEU  QD+         5.50    (#   2326:25  Preassigned    2.78, 4.70 A)
 &rst
  ixpk= 2326, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    9 GLY  HA+          31 LEU  QD+         4.50    (#   2328:25  Preassigned    2.42, 4.92 A)
 &rst
  ixpk= 2328, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 110, 111,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    9 GLY  HA-          31 LEU  QD+         5.50    (#   2329:25  Preassigned    2.42, 4.92 A)
 &rst
  ixpk= 2329, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 110, 111,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   11 LEU  HA           31 LEU  QD+         4.50    (#   2330:25  Preassigned    2.33, 4.78 A)
 &rst
  ixpk= 2330, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    7 MET  QG           31 LEU  QD+         5.50    (#   2331:25  Preassigned    2.97, 5.73 A)
 &rst
  ixpk= 2331, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  88,  89,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    5 ILE  QG2          31 LEU  QD+         4.50    (#   2332:25  Preassigned    2.16, 4.04 A)
 &rst
  ixpk= 2332, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  51,  52,  53,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#   49 LYS  HN           49 LYS  HG+         5.50    (#   2333:25  Preassigned    4.32, 4.50 A)
 &rst
  ixpk= 2333, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 769, 770,
 &end
#
#   50 GLU  HN           49 LYS  HG+         5.50    (#   2334:25  Preassigned    3.59, 4.38 A)
 &rst
  ixpk= 2334, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 769, 770,
 &end
#
#   49 LYS  QE           49 LYS  HG+         5.50    (#   2335:25  Preassigned    2.33, 3.24 A)
 &rst
  ixpk= 2335, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 775, 776,
 igr2= 769, 770,
 &end
#
#   49 LYS  HA           49 LYS  HG+         4.50    (#   2336:25  Preassigned    2.49, 2.81 A)
 &rst
  ixpk= 2336, nxpk= 25, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 769, 770,
 &end
#
#   50 GLU  HB2          49 LYS  HG+         5.50    (#   2337:25  Preassigned    2.24, 3.80 A)
 &rst
  ixpk= 2337, nxpk= 25, iat= 788,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 769, 770,
 &end
#
#    0 AMB  25-3:2338     0 AMB  25-1:2338   2.80    (#   2338:25  Double Ambig)
 &rst
  ixpk= 2338, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 772, 773, 766,
 igr2= 769, 770, 769, 770,
 &end
#
#   49 LYS  HD+          49 LYS  HG+         2.80    (#   2339:25  Preassigned    2.24, 2.70 A)
 &rst
  ixpk= 2339, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 772, 773,
 igr2= 769, 770,
 &end
#
#   69 SER  QB           49 LYS  HG-         7.00    (#   2341:25  Preassigned    4.17, 6.17 A)
 &rst
  ixpk= 2341, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1091,1092,
 igr2= 769, 770,
 &end
#
#   50 GLU  HN           49 LYS  HG-         5.50    (#   2342:25  Preassigned    3.59, 4.38 A)
 &rst
  ixpk= 2342, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 769, 770,
 &end
#
#   49 LYS  HA           49 LYS  HG-         4.50    (#   2343:25  Preassigned    2.49, 2.81 A)
 &rst
  ixpk= 2343, nxpk= 25, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 769, 770,
 &end
#
#   49 LYS  QE           49 LYS  HG-         5.50    (#   2344:25  Preassigned    2.33, 3.24 A)
 &rst
  ixpk= 2344, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 775, 776,
 igr2= 769, 770,
 &end
#
#   50 GLU  HB2          49 LYS  HG-         5.50    (#   2345:25  Preassigned    2.24, 3.80 A)
 &rst
  ixpk= 2345, nxpk= 25, iat= 788,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 769, 770,
 &end
#
#    0 AMB  25-3:2346    49 LYS  HG-         2.80    (#   2346:25  Single Ambig)
 &rst
  ixpk= 2346, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 772, 773, 766,
 igr2= 769, 770,
 &end
#
#   49 LYS  HN           49 LYS  HG-         5.50    (#   2348:25  Preassigned    4.32, 4.50 A)
 &rst
  ixpk= 2348, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 769, 770,
 &end
#
#   53 LYS  HN           52 LYS  HG-         5.50    (#   2349:25  Preassigned    4.58, 5.18 A)
 &rst
  ixpk= 2349, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 822, 823,
 &end
#
#    0 AMB  25-3:2350     0 AMB  25-1:2350   2.80    (#   2350:25  Double Ambig)
 &rst
  ixpk= 2350, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 772, 773, 825, 826, 767,
 igr2= 769, 770, 822, 823,
 &end
#
#   52 LYS  HE+          52 LYS  HG-         5.50    (#   2351:25  Preassigned    2.35, 2.91 A)
 &rst
  ixpk= 2351, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 828, 829,
 igr2= 822, 823,
 &end
#
#   65 LEU  HA           53 LYS  HG+         5.50    (#   2352:25  Preassigned    2.68, 2.96 A)
 &rst
  ixpk= 2352, nxpk= 25, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 844, 845,
 &end
#
#    0 AMB  25-3:2353     0 AMB  25-1:2353   4.50    (#   2353:25  Double Ambig)
 &rst
  ixpk= 2353, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 847, 848, 820,
 igr2= 844, 845, 844, 845,
 &end
#
#   53 LYS  HN           53 LYS  HG+         5.50    (#   2354:25  Preassigned    3.27, 3.91 A)
 &rst
  ixpk= 2354, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 844, 845,
 &end
#
#   53 LYS  QE           53 LYS  HG+         4.50    (#   2355:25  Preassigned    2.21, 2.83 A)
 &rst
  ixpk= 2355, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 850, 851,
 igr2= 844, 845,
 &end
#
#   53 LYS  HB3          53 LYS  HG+         4.50    (#   2356:25  Preassigned    2.48, 2.77 A)
 &rst
  ixpk= 2356, nxpk= 25, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 844, 845,
 &end
#
#   11 LEU  QD-          53 LYS  HG+         5.50    (#   2358:25  Preassigned    2.66, 5.16 A)
 &rst
  ixpk= 2358, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2= 844, 845,
 &end
#
#   53 LYS  HA           53 LYS  HG+         5.50    (#   2359:25  Preassigned    3.06, 3.49 A)
 &rst
  ixpk= 2359, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 844, 845,
 &end
#
#   59 VAL  QG1          53 LYS  HG+         4.50    (#   2360:25  Preassigned    2.31, 3.54 A)
 &rst
  ixpk= 2360, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 941, 942, 943,
 igr2= 844, 845,
 &end
#
#   11 LEU  QD+          53 LYS  HG+         5.50    (#   2361:25  Preassigned    2.66, 5.16 A)
 &rst
  ixpk= 2361, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2= 844, 845,
 &end
#
#   55 GLU  HN           54 LYS  HG+         5.50    (#   2362:25  Preassigned    3.45, 4.28 A)
 &rst
  ixpk= 2362, nxpk= 25, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 866, 867,
 &end
#
#   55 GLU  HN           54 LYS  HG-         5.50    (#   2363:25  Preassigned    3.45, 4.28 A)
 &rst
  ixpk= 2363, nxpk= 25, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 866, 867,
 &end
#
#   11 LEU  QD-          53 LYS  HG-         5.50    (#   2364:25  Preassigned    2.66, 5.16 A)
 &rst
  ixpk= 2364, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2= 844, 845,
 &end
#
#   65 LEU  HA           53 LYS  HG-         5.50    (#   2365:25  Preassigned    2.68, 2.96 A)
 &rst
  ixpk= 2365, nxpk= 25, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 844, 845,
 &end
#
#   59 VAL  QG1          53 LYS  HG-         4.50    (#   2366:25  Preassigned    2.31, 3.54 A)
 &rst
  ixpk= 2366, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 941, 942, 943,
 igr2= 844, 845,
 &end
#
#   59 VAL  QG2          53 LYS  HG-         5.50    (#   2367:25  Preassigned    4.80, 6.44 A)
 &rst
  ixpk= 2367, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947,
 igr2= 844, 845,
 &end
#
#   53 LYS  QE           53 LYS  HG-         4.50    (#   2368:25  Preassigned    2.21, 2.83 A)
 &rst
  ixpk= 2368, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 850, 851,
 igr2= 844, 845,
 &end
#
#    0 AMB  25-3:2369    53 LYS  HG-         4.50    (#   2369:25  Single Ambig)
 &rst
  ixpk= 2369, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 847, 848, 820,
 igr2= 844, 845,
 &end
#
#   53 LYS  HB3          53 LYS  HG-         3.50    (#   2370:25  Preassigned    2.48, 2.77 A)
 &rst
  ixpk= 2370, nxpk= 25, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 844, 845,
 &end
#
#   53 LYS  HB2          53 LYS  HG-         2.80    (#   2372:25  Preassigned    2.31, 2.45 A)
 &rst
  ixpk= 2372, nxpk= 25, iat= 841,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 844, 845,
 &end
#
#   59 VAL  QG2          53 LYS  HG-         5.50    (#   2373:25  Preassigned    4.80, 6.44 A)
 &rst
  ixpk= 2373, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947,
 igr2= 844, 845,
 &end
#
#    0 AMB  25-3:2374    13 LYS  HG-         5.50    (#   2374:25  Single Ambig)
 &rst
  ixpk= 2374, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 220, 161,
 igr2= 179, 180,
 &end
#
#   13 LYS  HE+          13 LYS  HG-         5.50    (#   2375:25  Preassigned    2.38, 3.29 A)
 &rst
  ixpk= 2375, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186,
 igr2= 179, 180,
 &end
#
#   13 LYS  HA           13 LYS  HG-         5.50    (#   2376:25  Preassigned    2.33, 2.78 A)
 &rst
  ixpk= 2376, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#    0 AMB  25-3:2377    13 LYS  HG-         5.50    (#   2377:25  Single Ambig)
 &rst
  ixpk= 2377, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 185, 186, 888, 889,
 igr2= 179, 180,
 &end
#
#   13 LYS  HB3          13 LYS  HG-         5.50    (#   2378:25  Preassigned    2.25, 2.76 A)
 &rst
  ixpk= 2378, nxpk= 25, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#    0 AMB  25-3:2379    13 LYS  HG-         5.50    (#   2379:25  Single Ambig)
 &rst
  ixpk= 2379, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 220, 161,
 igr2= 179, 180,
 &end
#
#   13 LYS  HD-          13 LYS  HG-         5.50    (#   2380:25  Preassigned    2.39, 2.60 A)
 &rst
  ixpk= 2380, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 183,
 igr2= 179, 180,
 &end
#
#   13 LYS  HB2          13 LYS  HG-         4.50    (#   2381:25  Preassigned    2.43, 2.76 A)
 &rst
  ixpk= 2381, nxpk= 25, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 179, 180,
 &end
#
#   30 ILE  HB           13 LYS  HG+         5.50    (#   2382:25  Preassigned    3.90, 4.67 A)
 &rst
  ixpk= 2382, nxpk= 25, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 LYS  HB3          13 LYS  HG-         5.50    (#   2383:25  Preassigned    2.25, 2.76 A)
 &rst
  ixpk= 2383, nxpk= 25, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 TRP  HD1          12 LYS  HG-         5.50    (#   2384:25  Preassigned    2.38, 2.92 A)
 &rst
  ixpk= 2384, nxpk= 25, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 TRP  HD1          12 LYS  HG+         5.50    (#   2386:25  Preassigned    2.38, 2.92 A)
 &rst
  ixpk= 2386, nxpk= 25, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#    0 AMB  25-3:2387     0 AMB  25-1:2387   5.50    (#   2387:25  Double Ambig)
 &rst
  ixpk= 2387, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 185, 186, 888, 889,
 igr2= 179, 180, 179, 180,
 &end
#
#   13 LYS  HE+          13 LYS  HG+         5.50    (#   2388:25  Preassigned    2.38, 3.29 A)
 &rst
  ixpk= 2388, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186,
 igr2= 179, 180,
 &end
#
#   13 LYS  HB3          13 LYS  HG+         4.50    (#   2389:25  Preassigned    2.25, 2.76 A)
 &rst
  ixpk= 2389, nxpk= 25, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 179, 180,
 &end
#
#   14 VAL  QG2          13 LYS  HG+         5.50    (#   2390:25  Preassigned    5.93, 7.19 A)
 &rst
  ixpk= 2390, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 205, 206,
 igr2= 179, 180,
 &end
#
#   15 HID  HE1          13 LYS  HG+         5.50    (#   2392:25  Preassigned    3.47, 4.51 A)
 &rst
  ixpk= 2392, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 LYS  HA           13 LYS  HG+         5.50    (#   2393:25  Preassigned    2.33, 2.78 A)
 &rst
  ixpk= 2393, nxpk= 25, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 LYS  HB2          13 LYS  HG+         4.50    (#   2394:25  Preassigned    2.43, 2.76 A)
 &rst
  ixpk= 2394, nxpk= 25, iat= 176,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 179, 180,
 &end
#
#   13 LYS  HD-          13 LYS  HG+         5.50    (#   2395:25  Preassigned    2.39, 2.60 A)
 &rst
  ixpk= 2395, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 182, 183,
 igr2= 179, 180,
 &end
#
#   54 LYS  HA           54 LYS  HG+         4.50    (#   2397:25  Preassigned    3.71, 3.87 A)
 &rst
  ixpk= 2397, nxpk= 25, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 866, 867,
 &end
#
#   54 LYS  QE           54 LYS  HG+         5.50    (#   2398:25  Preassigned    2.33, 3.10 A)
 &rst
  ixpk= 2398, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 873,
 igr2= 866, 867,
 &end
#
#   54 LYS  HN           54 LYS  HG+         4.50    (#   2399:25  Preassigned    2.52, 3.14 A)
 &rst
  ixpk= 2399, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 866, 867,
 &end
#
#   54 LYS  QD           54 LYS  HG+         2.80    (#   2400:25  Preassigned    2.35, 2.73 A)
 &rst
  ixpk= 2400, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 869, 870,
 igr2= 866, 867,
 &end
#
#   54 LYS  HA           54 LYS  HG-         5.50    (#   2402:25  Preassigned    3.71, 3.87 A)
 &rst
  ixpk= 2402, nxpk= 25, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 866, 867,
 &end
#
#   54 LYS  QE           54 LYS  HG-         5.50    (#   2403:25  Preassigned    2.33, 3.10 A)
 &rst
  ixpk= 2403, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 873,
 igr2= 866, 867,
 &end
#
#    0 AMB  25-3:2404    54 LYS  HG-         2.80    (#   2404:25  Single Ambig)
 &rst
  ixpk= 2404, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 863, 864, 869, 870,
 igr2= 866, 867,
 &end
#
#   54 LYS  HN           54 LYS  HG-         5.50    (#   2406:25  Preassigned    2.52, 3.14 A)
 &rst
  ixpk= 2406, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 866, 867,
 &end
#
#   65 LEU  HN           65 LEU  QD+         5.50    (#   2407:25  Preassigned    4.85, 5.48 A)
 &rst
  ixpk= 2407, nxpk= 25, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   52 LYS  HN           65 LEU  QD+         5.50    (#   2408:25  Preassigned    3.97, 6.04 A)
 &rst
  ixpk= 2408, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HA           65 LEU  QD+         5.50    (#   2409:25  Preassigned    3.71, 5.88 A)
 &rst
  ixpk= 2409, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HB+          65 LEU  QD+         5.50    (#   2411:25  Unique         2.23, 5.51 A)
 &rst
  ixpk= 2411, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1038,1039,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2412     0 AMB  25-1:2412   4.50    (#   2412:25  Double Ambig)
 &rst
  ixpk= 2412, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1038,1039,1020, 632,
 igr2=1024,1025,1026,1028,1029,1030,1024,1025,1026,1028,
      1029,1030,1024,1025,1026,1028,1029,1030,
 &end
#
#   65 LEU  HB2          65 LEU  QD+         3.50    (#   2413:25  Preassigned    2.37, 3.30 A)
 &rst
  ixpk= 2413, nxpk= 25, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HN           65 LEU  QD+         5.50    (#   2414:25  Preassigned    3.75, 5.21 A)
 &rst
  ixpk= 2414, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   53 LYS  HN           65 LEU  QD+         7.00    (#   2415:25  Preassigned    3.26, 6.14 A)
 &rst
  ixpk= 2415, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   28 VAL  HA           65 LEU  QD+         7.00    (#   2416:25  Unique         5.30, 7.04 A)
 &rst
  ixpk= 2416, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   65 LEU  HA           65 LEU  QD+         3.50    (#   2417:25  Preassigned    2.25, 3.88 A)
 &rst
  ixpk= 2417, nxpk= 25, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2418     0 AMB  25-1:2418   5.50    (#   2418:25  Double Ambig)
 &rst
  ixpk= 2418, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  47, 196,
 igr2=1024,1025,1026,1028,1029,1030,1024,1025,1026,1028,
      1029,1030,
 &end
#
#   59 VAL  HB           65 LEU  QD+         5.50    (#   2419:25  Unique         4.83, 7.40 A)
 &rst
  ixpk= 2419, nxpk= 25, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:2421     0 AMB  25-1:2421   4.50    (#   2421:25  Double Ambig)
 &rst
  ixpk= 2421, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  22, 842,
 igr2=1024,1025,1026,1028,1029,1030,1024,1025,1026,1028,
      1029,1030,
 &end
#
#    0 AMB  25-3:2422     0 AMB  25-1:2422   2.80    (#   2422:25  Double Ambig)
 &rst
  ixpk= 2422, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=  55,  56,1022,
 igr2=1024,1025,1026,1028,1029,1030,1024,1025,1026,1028,
      1029,1030,
 &end
#
#    0 AMB  25-3:2423     0 AMB  25-1:2423   3.50    (#   2423:25  Double Ambig)
 &rst
  ixpk= 2423, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1= 200, 201, 202, 844, 845, 805, 806, 807,
 igr2=1024,1025,1026,1028,1029,1030,1024,1025,1026,1028,
      1029,1030,1024,1025,1026,1028,1029,1030,
 &end
#
#    3 VAL  QG1          65 LEU  QD+         5.50    (#   2424:25  Preassigned    2.61, 5.90 A)
 &rst
  ixpk= 2424, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  24,  25,  26,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   28 VAL  QG2          65 LEU  QD+         4.50    (#   2425:25  Preassigned    2.31, 4.94 A)
 &rst
  ixpk= 2425, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 416, 417, 418,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   11 LEU  QD-          65 LEU  QD+         2.80    (#   2427:25  Preassigned    2.25, 4.82 A)
 &rst
  ixpk= 2427, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   68 LEU  HN           68 LEU  QD2         5.50    (#   2428:25  Preassigned    3.76, 4.57 A)
 &rst
  ixpk= 2428, nxpk= 25, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1081,1082,1083,
 &end
#
#   49 LYS  HN           68 LEU  QD2         5.50    (#   2429:25  Preassigned    3.01, 4.00 A)
 &rst
  ixpk= 2429, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1081,1082,1083,
 &end
#
#   69 SER  HN           68 LEU  QD2         5.50    (#   2430:25  Preassigned    4.13, 4.93 A)
 &rst
  ixpk= 2430, nxpk= 25, iat=1087,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1081,1082,1083,
 &end
#
#    0 AMB  25-3:2431    68 LEU  QD2         5.50    (#   2431:25  Single Ambig)
 &rst
  ixpk= 2431, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1053, 727,
 igr2=1081,1082,1083,
 &end
#
#   46 GLY  HN           68 LEU  QD2         5.50    (#   2432:25  Preassigned    4.94, 6.14 A)
 &rst
  ixpk= 2432, nxpk= 25, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1081,1082,1083,
 &end
#
#   68 LEU  HA           68 LEU  QD2         3.50    (#   2433:25  Preassigned    2.41, 3.16 A)
 &rst
  ixpk= 2433, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1081,1082,1083,
 &end
#
#    0 AMB  25-3:2435    68 LEU  QD2         7.00    (#   2435:25  Single Ambig)
 &rst
  ixpk= 2435, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=  20,1089,
 igr2=1081,1082,1083,
 &end
#
#   46 GLY  HA+          68 LEU  QD2         5.50    (#   2436:25  Preassigned    3.69, 5.73 A)
 &rst
  ixpk= 2436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 722, 723,
 igr2=1081,1082,1083,
 &end
#
#   46 GLY  HA-          68 LEU  QD2         5.50    (#   2437:25  Preassigned    3.69, 5.73 A)
 &rst
  ixpk= 2437, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 722, 723,
 igr2=1081,1082,1083,
 &end
#
#   48 VAL  HA           68 LEU  QD2         3.50    (#   2439:25  Preassigned    2.14, 2.70 A)
 &rst
  ixpk= 2439, nxpk= 25, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1081,1082,1083,
 &end
#
#    0 AMB  25-3:2440    68 LEU  QD2         5.50    (#   2440:25  Single Ambig)
 &rst
  ixpk= 2440, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 750, 231,
 igr2=1081,1082,1083,
 &end
#
#   68 LEU  HB3          68 LEU  QD2         4.50    (#   2441:25  Preassigned    2.56, 3.21 A)
 &rst
  ixpk= 2441, nxpk= 25, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1081,1082,1083,
 &end
#
#   66 LEU  HB-          68 LEU  QD2         4.50    (#   2442:25  Preassigned    2.42, 4.20 A)
 &rst
  ixpk= 2442, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1038,1039,
 igr2=1081,1082,1083,
 &end
#
#   68 LEU  HG           68 LEU  QD2         2.80    (#   2443:25  Preassigned    2.42, 2.65 A)
 &rst
  ixpk= 2443, nxpk= 25, iat=1075,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1081,1082,1083,
 &end
#
#   22 ILE  HG1-         68 LEU  QD2         4.50    (#   2444:25  Preassigned    2.88, 4.37 A)
 &rst
  ixpk= 2444, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 321, 322,
 igr2=1081,1082,1083,
 &end
#
#   22 ILE  HG1+         68 LEU  QD2         5.50    (#   2445:25  Preassigned    2.88, 4.37 A)
 &rst
  ixpk= 2445, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 321, 322,
 igr2=1081,1082,1083,
 &end
#
#   16 VAL  QG1          68 LEU  QD2         4.50    (#   2446:25  Unique         4.99, 6.57 A)
 &rst
  ixpk= 2446, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 233, 234, 235,
 igr2=1081,1082,1083,
 &end
#
#   48 VAL  QG2          68 LEU  QD2         3.50    (#   2447:25  Preassigned    2.65, 3.84 A)
 &rst
  ixpk= 2447, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 756, 757, 758,
 igr2=1081,1082,1083,
 &end
#
#    0 AMB  25-3:2448    68 LEU  QD2         3.50    (#   2448:25  Single Ambig)
 &rst
  ixpk= 2448, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 igr2=1081,1082,1083,
 &end
#
#   17 LYS  QD           17 LYS  HG+         2.80    (#   2449:25  Preassigned    2.39, 2.62 A)
 &rst
  ixpk= 2449, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 253, 254,
 igr2= 250, 251,
 &end
#
#   17 LYS  QB           17 LYS  HG+         2.80    (#   2450:25  Preassigned    2.40, 2.77 A)
 &rst
  ixpk= 2450, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 247, 248,
 igr2= 250, 251,
 &end
#
#   18 ALA  HN           17 LYS  HG+         5.50    (#   2451:25  Preassigned    3.92, 4.61 A)
 &rst
  ixpk= 2451, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   17 LYS  HA           17 LYS  HG+         5.50    (#   2452:25  Preassigned    2.54, 3.25 A)
 &rst
  ixpk= 2452, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   17 LYS  HN           17 LYS  HG+         4.50    (#   2454:25  Preassigned    2.68, 3.43 A)
 &rst
  ixpk= 2454, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 250, 251,
 &end
#
#   17 LYS  QE           17 LYS  HG+         5.50    (#   2455:25  Preassigned    2.37, 3.33 A)
 &rst
  ixpk= 2455, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 256, 257,
 igr2= 250, 251,
 &end
#
#   17 VAL  HA           16 LYS  HG+         5.50    (#   2456:25  Preassigned    3.51, 4.33 A)
 &rst
  ixpk= 2456, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   17 LYS  HN           17 LYS  HG-         5.50    (#   2457:25  Preassigned    2.68, 3.43 A)
 &rst
  ixpk= 2457, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   18 ALA  HN           17 LYS  HG-         5.50    (#   2458:25  Preassigned    3.92, 4.61 A)
 &rst
  ixpk= 2458, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   17 LYS  QD           17 LYS  HG-         3.50    (#   2459:25  Preassigned    2.39, 2.62 A)
 &rst
  ixpk= 2459, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 253, 254,
 igr2= 250, 251,
 &end
#
#   17 LYS  QE           17 LYS  HG-         5.50    (#   2460:25  Preassigned    2.37, 3.33 A)
 &rst
  ixpk= 2460, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 256, 257,
 igr2= 250, 251,
 &end
#
#   17 LYS  QB           17 LYS  HG-         2.80    (#   2461:25  Preassigned    2.40, 2.77 A)
 &rst
  ixpk= 2461, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 247, 248,
 igr2= 250, 251,
 &end
#
#   17 LYS  HA           17 LYS  HG-         5.50    (#   2463:25  Preassigned    2.54, 3.25 A)
 &rst
  ixpk= 2463, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   30 ILE  HN           29 ALA  QB          4.50    (#   2464:25  Preassigned    2.20, 3.11 A)
 &rst
  ixpk= 2464, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 426, 427, 428,
 &end
#
#    0 AMB  25-3:2465    29 ALA  QB          5.50    (#   2465:25  Single Ambig)
 &rst
  ixpk= 2465, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 628, 148, 647,
 igr2= 426, 427, 428,
 &end
#
#   29 ALA  HN           29 ALA  QB          4.50    (#   2466:25  Preassigned    2.96, 3.50 A)
 &rst
  ixpk= 2466, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 426, 427, 428,
 &end
#
#   13 LYS  HN           29 ALA  QB          5.50    (#   2467:25  Preassigned    4.23, 5.30 A)
 &rst
  ixpk= 2467, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   16 VAL  HN            0 AMB  25-1:2468   5.50    (#   2468:25  Single Ambig)
 &rst
  ixpk= 2468, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 756, 757, 758, 416, 417, 418,
 &end
#
#   29 ALA  HA           29 ALA  QB          2.80    (#   2469:25  Preassigned    2.44, 2.66 A)
 &rst
  ixpk= 2469, nxpk= 25, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 426, 427, 428,
 &end
#
#    0 AMB  25-3:2470    29 ALA  QB          5.50    (#   2470:25  Single Ambig)
 &rst
  ixpk= 2470, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 198, 398, 399,
 igr2= 426, 427, 428,
 &end
#
#   40 ILE  HB           29 ALA  QB          2.80    (#   2471:25  Preassigned    2.20, 3.30 A)
 &rst
  ixpk= 2471, nxpk= 25, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 426, 427, 428,
 &end
#
#   14 VAL  QG1          29 ALA  QB          3.50    (#   2472:25  Preassigned    2.80, 5.02 A)
 &rst
  ixpk= 2472, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 200, 201, 202,
 igr2= 426, 427, 428,
 &end
#
#   65 LEU  QD+          29 ALA  QB          3.50    (#   2473:25  Preassigned    2.41, 4.10 A)
 &rst
  ixpk= 2473, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1024,1025,1026,1028,1029,1030,
 igr2= 426, 427, 428,
 &end
#
#    0 AMB  25-3:2474    29 ALA  QB          2.80    (#   2474:25  Single Ambig)
 &rst
  ixpk= 2474, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 641, 642, 643,1024,1025,1026,1028,1029,1030, 634,
       635, 636,
 igr2= 426, 427, 428,
 &end
#
#   11 LEU  QD-          29 ALA  QB          4.50    (#   2475:25  Preassigned    2.25, 4.01 A)
 &rst
  ixpk= 2475, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2= 426, 427, 428,
 &end
#
#   29 VAL  HN           28 ALA  QB          5.50    (#   2476:25  Unique         4.61, 5.23 A)
 &rst
  ixpk= 2476, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   15 HID  HN           29 ALA  QB          5.50    (#   2477:25  Preassigned    3.61, 4.63 A)
 &rst
  ixpk= 2477, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   16 VAL  HN           29 ALA  QB          5.50    (#   2478:25  Preassigned    5.18, 6.32 A)
 &rst
  ixpk= 2478, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#    0 AMB  25-3:2479    29 ALA  QB          5.50    (#   2479:25  Single Ambig)
 &rst
  ixpk= 2479, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 131, 630,
 igr2= 426, 427, 428,
 &end
#
#   51 VAL  HB           17 LYS  HG-         7.00    (#   2492:25  Unique         5.95, 7.12 A)
 &rst
  ixpk= 2492, nxpk= 25, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 250, 251,
 &end
#
#   17 VAL  QG1          16 LYS  HG-         5.50    (#   2494:25  Preassigned    5.49, 6.95 A)
 &rst
  ixpk= 2494, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 233, 234, 235,
 igr2= 250, 251,
 &end
#
#    0 AMB  25-3:2496    17 LYS  HG-         4.50    (#   2496:25  Single Ambig)
 &rst
  ixpk= 2496, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 809, 810, 811, 237, 238, 239,
 igr2= 250, 251,
 &end
#
#   48 VAL  QG1          17 LYS  HG-         5.50    (#   2497:25  Preassigned    5.49, 7.17 A)
 &rst
  ixpk= 2497, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 752, 753, 754,
 igr2= 250, 251,
 &end
#
#   14 VAL  QG1          17 LYS  HG-         5.50    (#   2498:25  Unique         5.28, 7.12 A)
 &rst
  ixpk= 2498, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 200, 201, 202,
 igr2= 250, 251,
 &end
#
#   49 LYS  HN           48 VAL  QG2         5.50    (#   2499:25  Preassigned    4.26, 5.07 A)
 &rst
  ixpk= 2499, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 756, 757, 758,
 &end
#
#   19 GLY  HN           48 VAL  QG2         5.50    (#   2500:25  Preassigned    5.02, 5.49 A)
 &rst
  ixpk= 2500, nxpk= 25, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 756, 757, 758,
 &end
#
#   48 VAL  HN           48 VAL  QG2         3.50    (#   2501:25  Preassigned    2.14, 3.09 A)
 &rst
  ixpk= 2501, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 756, 757, 758,
 &end
#
#   30 ILE  HN           28 VAL  QG2         7.00    (#   2502:25  Preassigned    6.19, 7.24 A)
 &rst
  ixpk= 2502, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 416, 417, 418,
 &end
#
#    0 AMB  25-3:2503    48 VAL  QG2         5.50    (#   2503:25  Single Ambig)
 &rst
  ixpk= 2503, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1053, 727,
 igr2= 756, 757, 758,
 &end
#
#   20 ASP  HN           48 VAL  QG2         5.50    (#   2504:25  Preassigned    3.94, 4.55 A)
 &rst
  ixpk= 2504, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 756, 757, 758,
 &end
#
#   50 GLU  HN           48 VAL  QG2         5.50    (#   2505:25  Preassigned    5.20, 5.89 A)
 &rst
  ixpk= 2505, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 756, 757, 758,
 &end
#
#    0 AMB  25-3:2506    48 VAL  QG2         5.50    (#   2506:25  Single Ambig)
 &rst
  ixpk= 2506, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1070,1036,
 igr2= 756, 757, 758,
 &end
#
#   48 VAL  HA           48 VAL  QG2         3.50    (#   2508:25  Preassigned    2.53, 3.15 A)
 &rst
  ixpk= 2508, nxpk= 25, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 756, 757, 758,
 &end
#
#   20 ASP  HB3          48 VAL  QG2         4.50    (#   2509:25  Preassigned    2.61, 3.56 A)
 &rst
  ixpk= 2509, nxpk= 25, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 756, 757, 758,
 &end
#
#   20 ASP  HB2          48 VAL  QG2         5.50    (#   2510:25  Preassigned    4.20, 5.24 A)
 &rst
  ixpk= 2510, nxpk= 25, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 756, 757, 758,
 &end
#
#    0 AMB  25-3:2511     0 AMB  25-1:2511   2.80    (#   2511:25  Double Ambig)
 &rst
  ixpk= 2511, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 231, 410, 750,
 igr2= 756, 757, 758, 416, 417, 418,
 &end
#
#   22 ILE  HG1-         48 VAL  QG2         4.50    (#   2512:25  Preassigned    2.73, 4.40 A)
 &rst
  ixpk= 2512, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 321, 322,
 igr2= 756, 757, 758,
 &end
#
#    0 AMB  25-3:2513    48 VAL  QG2         3.50    (#   2513:25  Single Ambig)
 &rst
  ixpk= 2513, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049, 237, 238, 239,
 igr2= 756, 757, 758,
 &end
#
#   68 LEU  QD2          48 VAL  QG2         3.50    (#   2515:25  Preassigned    2.65, 3.84 A)
 &rst
  ixpk= 2515, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1081,1082,1083,
 igr2= 756, 757, 758,
 &end
#
#   59 PHE  HA           58 VAL  QG1         5.50    (#   2516:25  Preassigned    4.13, 5.14 A)
 &rst
  ixpk= 2516, nxpk= 25, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#   14 VAL  HA           29 ALA  QB          3.50    (#   2517:25  Preassigned    2.62, 3.43 A)
 &rst
  ixpk= 2517, nxpk= 25, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 426, 427, 428,
 &end
#
#   63 ASP  HB3          59 VAL  QG1         5.50    (#   2518:25  Preassigned    3.17, 4.46 A)
 &rst
  ixpk= 2518, nxpk= 25, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#    0 AMB  25-3:2519    48 VAL  QG1         5.50    (#   2519:25  Single Ambig)
 &rst
  ixpk= 2519, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 799,1087,
 igr2= 752, 753, 754,
 &end
#
#    0 AMB  25-3:2520    59 VAL  QG1         5.50    (#   2520:25  Single Ambig)
 &rst
  ixpk= 2520, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 935, 915,
 igr2= 941, 942, 943,
 &end
#
#   63 ASP  HN           59 VAL  QG1         5.50    (#   2521:25  Preassigned    5.76, 6.83 A)
 &rst
  ixpk= 2521, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#   59 VAL  HA           59 VAL  QG1         3.50    (#   2522:25  Preassigned    2.36, 2.99 A)
 &rst
  ixpk= 2522, nxpk= 25, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 941, 942, 943,
 &end
#
#   53 LYS  QE           59 VAL  QG1         4.50    (#   2523:25  Preassigned    1.95, 3.75 A)
 &rst
  ixpk= 2523, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 850, 851,
 igr2= 941, 942, 943,
 &end
#
#   57 ASP  HB2          59 VAL  QG1         5.50    (#   2524:25  Preassigned    4.69, 6.08 A)
 &rst
  ixpk= 2524, nxpk= 25, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#   53 LYS  HD+          59 VAL  QG1         4.50    (#   2525:25  Preassigned    2.51, 3.78 A)
 &rst
  ixpk= 2525, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 847, 848,
 igr2= 941, 942, 943,
 &end
#
#   49 LYS  HN           48 VAL  QG1         4.50    (#   2526:25  Preassigned    2.72, 3.65 A)
 &rst
  ixpk= 2526, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 752, 753, 754,
 &end
#
#   68 LEU  HN           48 VAL  QG1         5.50    (#   2527:25  Preassigned    5.95, 6.92 A)
 &rst
  ixpk= 2527, nxpk= 25, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   19 GLY  HN           48 VAL  QG1         5.50    (#   2528:25  Preassigned    3.32, 4.36 A)
 &rst
  ixpk= 2528, nxpk= 25, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   48 VAL  HN           48 VAL  QG1         5.50    (#   2529:25  Preassigned    4.37, 4.51 A)
 &rst
  ixpk= 2529, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   17 LYS  HN           48 VAL  QG1         5.50    (#   2530:25  Preassigned    3.34, 4.54 A)
 &rst
  ixpk= 2530, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#    0 AMB  25-3:2531    48 VAL  QG1         5.50    (#   2531:25  Single Ambig)
 &rst
  ixpk= 2531, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1053, 265,
 igr2= 752, 753, 754,
 &end
#
#   20 ASP  HN           48 VAL  QG1         5.50    (#   2532:25  Preassigned    4.15, 4.75 A)
 &rst
  ixpk= 2532, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   50 GLU  HN           48 VAL  QG1         4.50    (#   2533:25  Preassigned    2.78, 3.38 A)
 &rst
  ixpk= 2533, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 752, 753, 754,
 &end
#
#   20 ASP  HB3          48 VAL  QG1         5.50    (#   2534:25  Preassigned    4.07, 5.02 A)
 &rst
  ixpk= 2534, nxpk= 25, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   48 VAL  HB           48 VAL  QG1         3.50    (#   2535:25  Preassigned    2.42, 2.67 A)
 &rst
  ixpk= 2535, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 752, 753, 754,
 &end
#
#   51 VAL  HB           48 VAL  QG1         5.50    (#   2536:25  Unique         4.94, 5.52 A)
 &rst
  ixpk= 2536, nxpk= 25, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   66 LEU  HB+          48 VAL  QG1         5.50    (#   2537:25  Unique         2.70, 5.75 A)
 &rst
  ixpk= 2537, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1038,1039,
 igr2= 752, 753, 754,
 &end
#
#   66 LEU  HB-          48 VAL  QG1         5.50    (#   2538:25  Preassigned    2.70, 5.75 A)
 &rst
  ixpk= 2538, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1038,1039,
 igr2= 752, 753, 754,
 &end
#
#    0 AMB  25-3:2539    48 VAL  QG1         5.50    (#   2539:25  Single Ambig)
 &rst
  ixpk= 2539, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1075, 769, 770,
 igr2= 752, 753, 754,
 &end
#
#   51 VAL  QG1          48 VAL  QG1         5.50    (#   2540:25  Preassigned    4.10, 5.85 A)
 &rst
  ixpk= 2540, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 805, 806, 807,
 igr2= 752, 753, 754,
 &end
#
#   16 VAL  QG1          48 VAL  QG1         5.50    (#   2541:25  Preassigned    4.45, 5.93 A)
 &rst
  ixpk= 2541, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 233, 234, 235,
 igr2= 752, 753, 754,
 &end
#
#    0 AMB  25-3:2542    48 VAL  QG1         3.50    (#   2542:25  Single Ambig)
 &rst
  ixpk= 2542, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 809, 810, 811,1043,1044,1045,1047,1048,1049,1043,
      1044,1045,1047,1048,1049,
 igr2= 752, 753, 754,
 &end
#
#    0 AMB  25-3:2544    48 VAL  QG1         5.50    (#   2544:25  Single Ambig)
 &rst
  ixpk= 2544, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1070,1036,
 igr2= 752, 753, 754,
 &end
#
#   17 LYS  HA           48 VAL  QG1         5.50    (#   2545:25  Preassigned    3.88, 4.95 A)
 &rst
  ixpk= 2545, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   51 VAL  HA           48 VAL  QG1         5.50    (#   2546:25  Preassigned    3.89, 4.40 A)
 &rst
  ixpk= 2546, nxpk= 25, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   65 LEU  HA           59 VAL  QG1         5.50    (#   2547:25  Preassigned    4.61, 5.26 A)
 &rst
  ixpk= 2547, nxpk= 25, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#    0 AMB  25-3:2548    48 VAL  QG1         2.80    (#   2548:25  Single Ambig)
 &rst
  ixpk= 2548, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 267, 748,
 igr2= 752, 753, 754,
 &end
#
#   66 LEU  HG           48 VAL  QG1         5.50    (#   2549:25  Preassigned    2.29, 4.82 A)
 &rst
  ixpk= 2549, nxpk= 25, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   18 ALA  QB           48 VAL  QG1         5.50    (#   2550:25  Preassigned    3.81, 5.43 A)
 &rst
  ixpk= 2550, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 269, 270, 271,
 igr2= 752, 753, 754,
 &end
#
#   29 VAL  HA           28 ALA  QB          5.50    (#   2554:25  Preassigned    4.88, 5.60 A)
 &rst
  ixpk= 2554, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#    0 AMB  25-3:2555    29 ALA  QB          5.50    (#   2555:25  Single Ambig)
 &rst
  ixpk= 2555, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 434, 174,
 igr2= 426, 427, 428,
 &end
#
#   29 VAL  HB           28 ALA  QB          5.50    (#   2556:25  Preassigned    4.22, 5.10 A)
 &rst
  ixpk= 2556, nxpk= 25, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   15 HID  HD2          28 VAL  QG2         7.00    (#   2558:25  Preassigned    5.70, 6.41 A)
 &rst
  ixpk= 2558, nxpk= 25, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 416, 417, 418,
 &end
#
#   28 VAL  HN           28 VAL  QG2         3.50    (#   2559:25  Preassigned    2.08, 2.97 A)
 &rst
  ixpk= 2559, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 416, 417, 418,
 &end
#
#    0 AMB  25-3:2561     0 AMB  25-1:2561   5.50    (#   2561:25  Double Ambig)
 &rst
  ixpk= 2561, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 663, 243, 647,
 igr2= 416, 417, 418, 756, 757, 758,
 &end
#
#   26 GLN  HN           28 VAL  QG2         5.50    (#   2562:25  Preassigned    5.99, 6.88 A)
 &rst
  ixpk= 2562, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   29 ALA  HN           28 VAL  QG2         5.50    (#   2563:25  Preassigned    2.73, 3.47 A)
 &rst
  ixpk= 2563, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   26 GLN  HE21          0 AMB  25-1:2564   5.50    (#   2564:25  Single Ambig)
 &rst
  ixpk= 2564, nxpk= 25, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 756, 757, 758, 416, 417, 418,
 &end
#
#   26 GLN  HE22          0 AMB  25-1:2565   5.50    (#   2565:25  Single Ambig)
 &rst
  ixpk= 2565, nxpk= 25, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 416, 417, 418, 756, 757, 758,
 &end
#
#   41 VAL  HA           28 VAL  QG2         5.50    (#   2566:25  Preassigned    2.37, 3.55 A)
 &rst
  ixpk= 2566, nxpk= 25, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   28 VAL  HA           28 VAL  QG2         3.50    (#   2567:25  Preassigned    3.77, 3.97 A)
 &rst
  ixpk= 2567, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 416, 417, 418,
 &end
#
#   28 GLU  HA           27 VAL  QG2         5.50    (#   2568:25  Preassigned    3.80, 4.79 A)
 &rst
  ixpk= 2568, nxpk= 25, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   42 ALA  HA           28 VAL  QG2         5.50    (#   2569:25  Preassigned    2.78, 3.55 A)
 &rst
  ixpk= 2569, nxpk= 25, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#   28 VAL  HB           28 VAL  QG2         2.80    (#   2570:25  Preassigned    2.44, 2.66 A)
 &rst
  ixpk= 2570, nxpk= 25, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 416, 417, 418,
 &end
#
#    0 AMB  25-3:2571    28 VAL  QG2         5.50    (#   2571:25  Single Ambig)
 &rst
  ixpk= 2571, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 379, 398, 399,
 igr2= 416, 417, 418,
 &end
#
#    0 AMB  25-3:2572     0 AMB  25-1:2572   3.50    (#   2572:25  Double Ambig)
 &rst
  ixpk= 2572, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 667, 668, 669,1038,1039,
 igr2= 416, 417, 418, 756, 757, 758,
 &end
#
#   29 ALA  QB           28 VAL  QG2         5.50    (#   2575:25  Preassigned    3.26, 5.05 A)
 &rst
  ixpk= 2575, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 426, 427, 428,
 igr2= 416, 417, 418,
 &end
#
#   60 ASN  HN           59 VAL  QG1         5.50    (#   2577:25  Preassigned    3.66, 4.38 A)
 &rst
  ixpk= 2577, nxpk= 25, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#    10 ASN  HA           59 VAL  QG1         5.50    (#   2578:25  Preassigned    4.31, 5.33 A)
 &rst
  ixpk= 2578, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#    0 AMB  25-3:2579    59 VAL  QG1         5.50    (#   2579:25  Single Ambig)
 &rst
  ixpk= 2579, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 905, 953,
 igr2= 941, 942, 943,
 &end
#
#   54 LYS  HN           14 VAL  QG1         5.50    (#   2580:25  Preassigned    5.19, 6.32 A)
 &rst
  ixpk= 2580, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 200, 201, 202,
 &end
#
#    0 AMB  25-3:2581    14 VAL  QG1         5.50    (#   2581:25  Single Ambig)
 &rst
  ixpk= 2581, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 243, 815,
 igr2= 200, 201, 202,
 &end
#
#   53 LYS  HN           14 VAL  QG1         5.50    (#   2584:25  Preassigned    4.85, 5.73 A)
 &rst
  ixpk= 2584, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 200, 201, 202,
 &end
#
#    4 SER  HB3          64 VAL  QG2         5.50    (#   2590:25  Unique         6.30, 6.85 A)
 &rst
  ixpk= 2590, nxpk= 25, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1009,1010,1011,
 &end
#
#   64 VAL  HN           64 VAL  QG2         4.50    (#   2592:25  Preassigned    1.93, 2.77 A)
 &rst
  ixpk= 2592, nxpk= 25, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1009,1010,1011,
 &end
#
#   64 VAL  HA           64 VAL  QG2         3.50    (#   2593:25  Preassigned    3.79, 3.97 A)
 &rst
  ixpk= 2593, nxpk= 25, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1009,1010,1011,
 &end
#
#   64 VAL  HB           64 VAL  QG2         2.80    (#   2594:25  Preassigned    2.41, 2.66 A)
 &rst
  ixpk= 2594, nxpk= 25, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1009,1010,1011,
 &end
#
#   16 VAL  HN           14 VAL  QG2         5.50    (#   2595:25  Preassigned    5.35, 5.74 A)
 &rst
  ixpk= 2595, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 204, 205, 206,
 &end
#
#   14 VAL  HN           14 VAL  QG2         4.50    (#   2596:25  Preassigned    3.19, 3.93 A)
 &rst
  ixpk= 2596, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 204, 205, 206,
 &end
#
#   15 HID  HN           14 VAL  QG2         5.50    (#   2597:25  Preassigned    4.23, 4.85 A)
 &rst
  ixpk= 2597, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 204, 205, 206,
 &end
#
#   14 VAL  HA           14 VAL  QG2         3.50    (#   2599:25  Preassigned    2.44, 3.12 A)
 &rst
  ixpk= 2599, nxpk= 25, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 204, 205, 206,
 &end
#
#   55 GLU  HA           14 VAL  QG2         4.50    (#   2600:25  Preassigned    2.39, 3.47 A)
 &rst
  ixpk= 2600, nxpk= 25, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 204, 205, 206,
 &end
#
#   55 GLU  HG+          14 VAL  QG2         4.50    (#   2601:25  Preassigned    2.62, 4.60 A)
 &rst
  ixpk= 2601, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 888, 889,
 igr2= 204, 205, 206,
 &end
#
#   59 VAL  HB           59 VAL  QG1         5.50    (#   2602:25  Preassigned    2.40, 2.63 A)
 &rst
  ixpk= 2602, nxpk= 25, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#   11 LEU  HB3          14 VAL  QG2         4.50    (#   2603:25  Preassigned    2.64, 4.04 A)
 &rst
  ixpk= 2603, nxpk= 25, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 204, 205, 206,
 &end
#
#   29 ALA  QB           14 VAL  QG2         5.50    (#   2604:25  Preassigned    2.65, 4.31 A)
 &rst
  ixpk= 2604, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 426, 427, 428,
 igr2= 204, 205, 206,
 &end
#
#   11 LEU  QD-          14 VAL  QG2         2.80    (#   2605:25  Preassigned    2.32, 4.20 A)
 &rst
  ixpk= 2605, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2= 204, 205, 206,
 &end
#
#   72 SER  HN           71 THR  QG2         5.50    (#   2606:25  Preassigned    3.30, 5.62 A)
 &rst
  ixpk= 2606, nxpk= 25, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1129,1130,1131,
 &end
#
#   72 THR  HB           72 THR  QG2         4.50    (#   2607:25  Preassigned    2.35, 2.66 A)
 &rst
  ixpk= 2607, nxpk= 25, iat=1127,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1129,1130,1131,
 &end
#
#   72 THR  HA           72 THR  QG2         5.50    (#   2609:25  Preassigned    2.37, 2.99 A)
 &rst
  ixpk= 2609, nxpk= 25, iat=1125,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1129,1130,1131,
 &end
#
#   66 LEU  HA           14 VAL  QG1         7.00    (#   2612:25  Preassigned    6.77, 7.48 A)
 &rst
  ixpk= 2612, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 200, 201, 202,
 &end
#
#   54 LYS  HA           14 VAL  QG1         5.50    (#   2613:25  Preassigned    2.96, 4.20 A)
 &rst
  ixpk= 2613, nxpk= 25, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 200, 201, 202,
 &end
#
#   51 VAL  HA           14 VAL  QG1         5.50    (#   2614:25  Preassigned    5.47, 6.16 A)
 &rst
  ixpk= 2614, nxpk= 25, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 200, 201, 202,
 &end
#
#   14 VAL  HB           14 VAL  QG1         2.80    (#   2615:25  Preassigned    2.45, 2.67 A)
 &rst
  ixpk= 2615, nxpk= 25, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 200, 201, 202,
 &end
#
#   55 GLU  HG-          14 VAL  QG1         5.50    (#   2616:25  Preassigned    4.92, 6.04 A)
 &rst
  ixpk= 2616, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 888, 889,
 igr2= 200, 201, 202,
 &end
#
#   54 LYS  QB           14 VAL  QG1         5.50    (#   2617:25  Unique         4.69, 6.26 A)
 &rst
  ixpk= 2617, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 863, 864,
 igr2= 200, 201, 202,
 &end
#
#   28 VAL  HA           14 VAL  QG1         5.50    (#   2620:25  Preassigned    5.30, 6.11 A)
 &rst
  ixpk= 2620, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 200, 201, 202,
 &end
#
#   16 VAL  QG1          14 VAL  QG1         4.50    (#   2622:25  Preassigned    4.92, 6.11 A)
 &rst
  ixpk= 2622, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 233, 234, 235,
 igr2= 200, 201, 202,
 &end
#
#   20 ASP  HB2          16 VAL  QG1         5.50    (#   2624:25  Preassigned    4.66, 5.95 A)
 &rst
  ixpk= 2624, nxpk= 25, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 233, 234, 235,
 &end
#
#    0 AMB  25-3:2625     3 VAL  QG1         5.50    (#   2625:25  Single Ambig)
 &rst
  ixpk= 2625, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 673,  34,
 igr2=  24,  25,  26,
 &end
#
#   17 LYS  HN           16 VAL  QG1         4.50    (#   2626:25  Preassigned    3.55, 4.32 A)
 &rst
  ixpk= 2626, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 233, 234, 235,
 &end
#
#   16 HID  HN           15 VAL  QG1         5.50    (#   2627:25  Preassigned    3.71, 4.83 A)
 &rst
  ixpk= 2627, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 233, 234, 235,
 &end
#
#   26 GLN  HE21         16 VAL  QG1         5.50    (#   2628:25  Preassigned    3.04, 4.01 A)
 &rst
  ixpk= 2628, nxpk= 25, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 233, 234, 235,
 &end
#
#   26 GLN  HE22         16 VAL  QG1         5.50    (#   2629:25  Preassigned    3.70, 4.53 A)
 &rst
  ixpk= 2629, nxpk= 25, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 233, 234, 235,
 &end
#
#   16 VAL  HN           16 VAL  QG1         4.50    (#   2630:25  Preassigned    3.35, 4.09 A)
 &rst
  ixpk= 2630, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 233, 234, 235,
 &end
#
#   16 HID  HD2          15 VAL  QG1         7.00    (#   2631:25  Preassigned    5.78, 6.98 A)
 &rst
  ixpk= 2631, nxpk= 25, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 233, 234, 235,
 &end
#
#   16 VAL  HA           16 VAL  QG1         3.50    (#   2632:25  Preassigned    2.31, 2.95 A)
 &rst
  ixpk= 2632, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 233, 234, 235,
 &end
#
#   28 VAL  HA           16 VAL  QG1         4.50    (#   2633:25  Preassigned    2.34, 3.42 A)
 &rst
  ixpk= 2633, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 233, 234, 235,
 &end
#
#    3 VAL  HA            3 VAL  QG1         3.50    (#   2635:25  Preassigned    2.38, 3.02 A)
 &rst
  ixpk= 2635, nxpk= 25, iat=  20,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  24,  25,  26,
 &end
#
#   42 ALA  HA            3 VAL  QG1         4.50    (#   2636:25  Preassigned    2.53, 3.95 A)
 &rst
  ixpk= 2636, nxpk= 25, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  24,  25,  26,
 &end
#
#   16 HID  HB3          15 VAL  QG1         5.50    (#   2637:25  Preassigned    4.63, 5.70 A)
 &rst
  ixpk= 2637, nxpk= 25, iat= 215,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 233, 234, 235,
 &end
#
#    0 AMB  25-3:2638     0 AMB  25-1:2638   4.50    (#   2638:25  Double Ambig)
 &rst
  ixpk= 2638, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 828, 829, 287, 214,
 igr2=1009,1010,1011, 233, 234, 235,
 &end
#
#    0 AMB  25-3:2639    16 VAL  QG1         2.80    (#   2639:25  Single Ambig)
 &rst
  ixpk= 2639, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 231, 410,
 igr2= 233, 234, 235,
 &end
#
#   26 GLN  HG-          16 VAL  QG1         7.00    (#   2640:25  Preassigned    5.38, 7.14 A)
 &rst
  ixpk= 2640, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 381, 382,
 igr2= 233, 234, 235,
 &end
#
#    0 AMB  25-3:2641     0 AMB  25-1:2641   4.50    (#   2641:25  Double Ambig)
 &rst
  ixpk= 2641, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1038,1039,1038,1039,
 igr2=  24,  25,  26, 233, 234, 235,
 &end
#
#    0 AMB  25-3:2642     3 VAL  QG1         4.50    (#   2642:25  Single Ambig)
 &rst
  ixpk= 2642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1020,1038,1039,
 igr2=  24,  25,  26,
 &end
#
#   53 LYS  HG+          64 VAL  QG2         4.50    (#   2643:25  Preassigned    2.75, 5.07 A)
 &rst
  ixpk= 2643, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 844, 845,
 igr2=1009,1010,1011,
 &end
#
#   44 ARG  HG-           3 VAL  QG1         5.50    (#   2644:25  Unique         3.26, 6.50 A)
 &rst
  ixpk= 2644, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 692, 693,
 igr2=  24,  25,  26,
 &end
#
#   53 LYS  HG-          64 VAL  QG2         3.50    (#   2645:25  Preassigned    2.75, 5.07 A)
 &rst
  ixpk= 2645, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 844, 845,
 igr2=1009,1010,1011,
 &end
#
#    0 AMB  25-3:2647    16 VAL  QG1         2.80    (#   2647:25  Single Ambig)
 &rst
  ixpk= 2647, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 324, 325, 326, 752, 753, 754,
 igr2= 233, 234, 235,
 &end
#
#   68 LEU  QD2          16 VAL  QG1         4.50    (#   2648:25  Unique         4.99, 6.57 A)
 &rst
  ixpk= 2648, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1081,1082,1083,
 igr2= 233, 234, 235,
 &end
#
#   66 LEU  HN            0 AMB  25-1:2649   5.50    (#   2649:25  Single Ambig)
 &rst
  ixpk= 2649, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  24,  25,  26,1009,1010,1011,
 &end
#
#    0 AMB  25-3:2650     0 AMB  25-1:2650   5.50    (#   2650:25  Double Ambig)
 &rst
  ixpk= 2650, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  36, 313,
 igr2=  24,  25,  26, 233, 234, 235,1009,1010,1011,
 &end
#
#   65 LEU  HA           64 VAL  QG2         5.50    (#   2652:25  Preassigned    4.15, 5.29 A)
 &rst
  ixpk= 2652, nxpk= 25, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1009,1010,1011,
 &end
#
#    0 AMB  25-3:2653     0 AMB  25-1:2653   5.50    (#   2653:25  Double Ambig)
 &rst
  ixpk= 2653, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  47, 196,
 igr2=  24,  25,  26, 233, 234, 235,
 &end
#
#   48 VAL  HA           16 VAL  QG1         5.50    (#   2654:25  Preassigned    6.08, 6.84 A)
 &rst
  ixpk= 2654, nxpk= 25, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 233, 234, 235,
 &end
#
#   18 ALA  QB           51 VAL  QG2         4.50    (#   2656:25  Preassigned    2.92, 5.65 A)
 &rst
  ixpk= 2656, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 269, 270, 271,
 igr2= 809, 810, 811,
 &end
#
#   19 GLY  HN           51 VAL  QG2         7.00    (#   2657:25  Preassigned    5.78, 6.44 A)
 &rst
  ixpk= 2657, nxpk= 25, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 809, 810, 811,
 &end
#
#   51 VAL  HN           51 VAL  QG2         4.50    (#   2658:25  Preassigned    2.41, 3.49 A)
 &rst
  ixpk= 2658, nxpk= 25, iat= 799,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 809, 810, 811,
 &end
#
#   18 ALA  HN           51 VAL  QG2         4.50    (#   2659:25  Preassigned    2.77, 3.77 A)
 &rst
  ixpk= 2659, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 809, 810, 811,
 &end
#
#   51 GLU  HN           50 VAL  QG2         5.50    (#   2660:25  Preassigned    4.36, 5.51 A)
 &rst
  ixpk= 2660, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 809, 810, 811,
 &end
#
#   53 LYS  HN           51 VAL  QG2         5.50    (#   2661:25  Preassigned    5.51, 5.73 A)
 &rst
  ixpk= 2661, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 809, 810, 811,
 &end
#
#   17 LYS  HA           51 VAL  QG2         3.50    (#   2662:25  Preassigned    2.19, 2.96 A)
 &rst
  ixpk= 2662, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 809, 810, 811,
 &end
#
#   51 GLU  HA           50 VAL  QG2         4.50    (#   2663:25  Preassigned    3.22, 4.58 A)
 &rst
  ixpk= 2663, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 809, 810, 811,
 &end
#
#   51 VAL  HA           51 VAL  QG2         3.50    (#   2664:25  Preassigned    2.64, 3.32 A)
 &rst
  ixpk= 2664, nxpk= 25, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 809, 810, 811,
 &end
#
#   18 ALA  HA           51 VAL  QG2         5.50    (#   2665:25  Preassigned    3.63, 4.52 A)
 &rst
  ixpk= 2665, nxpk= 25, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 809, 810, 811,
 &end
#
#   53 LYS  HB3          14 VAL  QG1         5.50    (#   2666:25  Preassigned    5.69, 6.60 A)
 &rst
  ixpk= 2666, nxpk= 25, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 200, 201, 202,
 &end
#
#   66 LEU  HA           51 VAL  QG2         5.50    (#   2667:25  Preassigned    4.18, 5.25 A)
 &rst
  ixpk= 2667, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 809, 810, 811,
 &end
#
#   51 VAL  HB           51 VAL  QG2         2.80    (#   2668:25  Preassigned    2.43, 2.66 A)
 &rst
  ixpk= 2668, nxpk= 25, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 809, 810, 811,
 &end
#
#   48 VAL  QG1          51 VAL  QG2         4.50    (#   2670:25  Preassigned    2.22, 3.60 A)
 &rst
  ixpk= 2670, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 752, 753, 754,
 igr2= 809, 810, 811,
 &end
#
#   65 LEU  HN           64 VAL  QG1         4.50    (#   2671:25  Preassigned    3.81, 4.49 A)
 &rst
  ixpk= 2671, nxpk= 25, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1005,1006,1007,
 &end
#
#   64 VAL  HN           64 VAL  QG1         5.50    (#   2672:25  Preassigned    2.55, 3.45 A)
 &rst
  ixpk= 2672, nxpk= 25, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1005,1006,1007,
 &end
#
#    0 AMB  25-3:2673     0 AMB  25-1:2673   4.50    (#   2673:25  Double Ambig)
 &rst
  ixpk= 2673, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 172,1034,
 igr2= 204, 205, 206,1005,1006,1007,
 &end
#
#   53 LYS  HA           14 VAL  QG2         5.50    (#   2674:25  Unique         5.46, 6.48 A)
 &rst
  ixpk= 2674, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 204, 205, 206,
 &end
#
#   64 VAL  HA           64 VAL  QG1         3.50    (#   2675:25  Preassigned    2.34, 2.99 A)
 &rst
  ixpk= 2675, nxpk= 25, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1005,1006,1007,
 &end
#
#   64 VAL  HB           64 VAL  QG1         2.80    (#   2677:25  Preassigned    2.42, 2.65 A)
 &rst
  ixpk= 2677, nxpk= 25, iat=1003,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1005,1006,1007,
 &end
#
#   52 LYS  HG+          64 VAL  QG1         3.50    (#   2678:25  Preassigned    3.31, 5.22 A)
 &rst
  ixpk= 2678, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 822, 823,
 igr2=1005,1006,1007,
 &end
#
#    4 SER  HA           64 VAL  QG1         5.50    (#   2680:25  Preassigned    4.40, 5.30 A)
 &rst
  ixpk= 2680, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1005,1006,1007,
 &end
#
#    0 AMB  25-3:2681     0 AMB  25-1:2681   3.50    (#   2681:25  Double Ambig)
 &rst
  ixpk= 2681, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 822, 823,1019,
 igr2=1009,1010,1011,  24,  25,  26,
 &end
#
#   15 HID  HN           51 VAL  QG1         5.50    (#   2683:25  Preassigned    5.22, 6.04 A)
 &rst
  ixpk= 2683, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 805, 806, 807,
 &end
#
#   16 VAL  HN           51 VAL  QG1         4.50    (#   2684:25  Preassigned    4.25, 5.19 A)
 &rst
  ixpk= 2684, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 805, 806, 807,
 &end
#
#   16 VAL  HA           51 VAL  QG1         5.50    (#   2685:25  Unique         5.95, 6.69 A)
 &rst
  ixpk= 2685, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 805, 806, 807,
 &end
#
#   14 VAL  HA           51 VAL  QG1         5.50    (#   2686:25  Preassigned    5.45, 6.21 A)
 &rst
  ixpk= 2686, nxpk= 25, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 805, 806, 807,
 &end
#
#    0 AMB  25-3:2688    51 VAL  QG1         5.50    (#   2688:25  Single Ambig)
 &rst
  ixpk= 2688, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 231, 410,
 igr2= 805, 806, 807,
 &end
#
#    0 AMB  25-3:2689    51 VAL  QG1         5.50    (#   2689:25  Single Ambig)
 &rst
  ixpk= 2689, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 844, 845, 426, 427, 428,
 igr2= 805, 806, 807,
 &end
#
#   44 ARG  QD            3 VAL  QG1         5.50    (#   2690:25  Preassigned    3.21, 6.50 A)
 &rst
  ixpk= 2690, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 695, 696,
 igr2=  24,  25,  26,
 &end
#
#   43 ASP  HN            3 VAL  QG2         4.50    (#   2693:25  Preassigned    2.75, 3.70 A)
 &rst
  ixpk= 2693, nxpk= 25, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  28,  29,  30,
 &end
#
#   42 ALA  HN            3 VAL  QG2         5.50    (#   2694:25  Preassigned    5.66, 6.85 A)
 &rst
  ixpk= 2694, nxpk= 25, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  28,  29,  30,
 &end
#
#   66 LEU  HN            3 VAL  QG2         5.50    (#   2695:25  Preassigned    4.29, 5.16 A)
 &rst
  ixpk= 2695, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  28,  29,  30,
 &end
#
#    3 VAL  HA            3 VAL  QG2         4.50    (#   2696:25  Preassigned    2.61, 3.39 A)
 &rst
  ixpk= 2696, nxpk= 25, iat=  20,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  28,  29,  30,
 &end
#
#   42 ALA  HA            3 VAL  QG2         4.50    (#   2697:25  Preassigned    2.88, 4.08 A)
 &rst
  ixpk= 2697, nxpk= 25, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  28,  29,  30,
 &end
#
#    3 VAL  HB            3 VAL  QG2         3.50    (#   2699:25  Preassigned    2.44, 2.66 A)
 &rst
  ixpk= 2699, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  28,  29,  30,
 &end
#
#   66 LEU  HB+           3 VAL  QG2         5.50    (#   2700:25  Preassigned    2.37, 3.66 A)
 &rst
  ixpk= 2700, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1038,1039,
 igr2=  28,  29,  30,
 &end
#
#    0 AMB  25-3:2701     3 VAL  QG2         4.50    (#   2701:25  Single Ambig)
 &rst
  ixpk= 2701, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1038,1039, 667, 668, 669,
 igr2=  28,  29,  30,
 &end
#
#    0 AMB  25-3:2702     3 VAL  QG2         5.50    (#   2702:25  Single Ambig)
 &rst
  ixpk= 2702, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 321, 322,1019,
 igr2=  28,  29,  30,
 &end
#
#    0 AMB  25-3:2705     3 VAL  QG2         3.50    (#   2705:25  Single Ambig)
 &rst
  ixpk= 2705, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 412, 413, 414,1024,1025,1026,1028,1029,1030,
 igr2=  28,  29,  30,
 &end
#
#    4 SER  HA            3 VAL  QG2         7.00    (#   2706:25  Preassigned    6.52, 6.81 A)
 &rst
  ixpk= 2706, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  28,  29,  30,
 &end
#
#   68 LEU  HB2           3 VAL  QG2         5.50    (#   2708:25  Preassigned    4.79, 5.92 A)
 &rst
  ixpk= 2708, nxpk= 25, iat=1072,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  28,  29,  30,
 &end
#
#   68 LEU  QD1           3 VAL  QG2         5.50    (#   2709:25  Preassigned    2.50, 3.97 A)
 &rst
  ixpk= 2709, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1077,1078,1079,
 igr2=  28,  29,  30,
 &end
#
#   44 ARG  HG-           3 VAL  QG2         5.50    (#   2710:25  Preassigned    2.70, 4.62 A)
 &rst
  ixpk= 2710, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 692, 693,
 igr2=  28,  29,  30,
 &end
#
#    0 AMB  25-3:2746    42 ALA  QB          4.50    (#   2746:25  Single Ambig)
 &rst
  ixpk= 2746, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 367, 673,
 igr2= 667, 668, 669,
 &end
#
#   42 ALA  HN           42 ALA  QB          3.50    (#   2747:25  Preassigned    2.41, 2.83 A)
 &rst
  ixpk= 2747, nxpk= 25, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 667, 668, 669,
 &end
#
#   26 GLN  HN           42 ALA  QB          4.50    (#   2748:25  Preassigned    2.42, 3.59 A)
 &rst
  ixpk= 2748, nxpk= 25, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 667, 668, 669,
 &end
#
#   44 ARG  HN           42 ALA  QB          4.50    (#   2749:25  Preassigned    2.50, 3.77 A)
 &rst
  ixpk= 2749, nxpk= 25, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 667, 668, 669,
 &end
#
#   22 ILE  HA           42 ALA  QB          5.50    (#   2750:25  Preassigned    4.74, 5.33 A)
 &rst
  ixpk= 2750, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 667, 668, 669,
 &end
#
#   42 VAL  HA           41 ALA  QB          5.50    (#   2751:25  Preassigned    4.52, 5.03 A)
 &rst
  ixpk= 2751, nxpk= 25, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 667, 668, 669,
 &end
#
#   42 ALA  HA           42 ALA  QB          3.50    (#   2752:25  Preassigned    2.44, 2.67 A)
 &rst
  ixpk= 2752, nxpk= 25, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 667, 668, 669,
 &end
#
#   25 GLY  HA-          42 ALA  QB          5.50    (#   2753:25  Preassigned    4.28, 5.89 A)
 &rst
  ixpk= 2753, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 369, 370,
 igr2= 667, 668, 669,
 &end
#
#   24 LYS  HA           42 ALA  QB          4.50    (#   2754:25  Preassigned    2.56, 3.50 A)
 &rst
  ixpk= 2754, nxpk= 25, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 667, 668, 669,
 &end
#
#    0 AMB  25-3:2755    42 ALA  QB          5.50    (#   2755:25  Single Ambig)
 &rst
  ixpk= 2755, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 378, 410, 337, 338,
 igr2= 667, 668, 669,
 &end
#
#   26 GLN  HB3          42 ALA  QB          5.50    (#   2756:25  Preassigned    2.94, 3.61 A)
 &rst
  ixpk= 2756, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 667, 668, 669,
 &end
#
#   22 ILE  HG1-         42 ALA  QB          4.50    (#   2757:25  Preassigned    3.02, 4.54 A)
 &rst
  ixpk= 2757, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 321, 322,
 igr2= 667, 668, 669,
 &end
#
#   28 VAL  QG2          42 ALA  QB          3.50    (#   2758:25  Preassigned    3.52, 5.07 A)
 &rst
  ixpk= 2758, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 416, 417, 418,
 igr2= 667, 668, 669,
 &end
#
#    0 AMB  25-3:2759    42 ALA  QB          4.50    (#   2759:25  Single Ambig)
 &rst
  ixpk= 2759, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049, 657, 658, 659,
 igr2= 667, 668, 669,
 &end
#
#   22 ILE  QG2          42 ALA  QB          4.50    (#   2760:25  Preassigned    3.71, 5.31 A)
 &rst
  ixpk= 2760, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 317, 318, 319,
 igr2= 667, 668, 669,
 &end
#
#    0 AMB  25-3:2761    42 ALA  QB          3.50    (#   2761:25  Single Ambig)
 &rst
  ixpk= 2761, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 324, 325, 326, 412, 413, 414,
 igr2= 667, 668, 669,
 &end
#
#   68 LEU  QD2          42 ALA  QB          5.50    (#   2762:25  Preassigned    5.22, 6.95 A)
 &rst
  ixpk= 2762, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1081,1082,1083,
 igr2= 667, 668, 669,
 &end
#
#   25 GLY  HA+          42 ALA  QB          5.50    (#   2763:25  Preassigned    4.28, 5.89 A)
 &rst
  ixpk= 2763, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 369, 370,
 igr2= 667, 668, 669,
 &end
#
#   42 VAL  HB           41 ALA  QB          5.50    (#   2764:25  Preassigned    4.04, 4.96 A)
 &rst
  ixpk= 2764, nxpk= 25, iat= 651,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 667, 668, 669,
 &end
#
#   61 GLU  HN            8 ALA  QB          4.50    (#   2765:25  Preassigned    3.69, 4.61 A)
 &rst
  ixpk= 2765, nxpk= 25, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 102, 103, 104,
 &end
#
#    8 ALA  HN            8 ALA  QB          3.50    (#   2768:25  Preassigned    2.37, 2.87 A)
 &rst
  ixpk= 2768, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 102, 103, 104,
 &end
#
#    9 GLY  HN            8 ALA  QB          5.50    (#   2769:25  Preassigned    3.26, 3.94 A)
 &rst
  ixpk= 2769, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 102, 103, 104,
 &end
#
#   58 PHE  HZ            8 ALA  QB          4.50    (#   2770:25  Preassigned    4.40, 5.50 A)
 &rst
  ixpk= 2770, nxpk= 25, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 102, 103, 104,
 &end
#
#    0 AMB  25-3:2771     8 ALA  QB          3.50    (#   2771:25  Single Ambig)
 &rst
  ixpk= 2771, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 953, 487,
 igr2= 102, 103, 104,
 &end
#
#    8 ALA  HA            8 ALA  QB          2.80    (#   2772:25  Preassigned    2.43, 2.65 A)
 &rst
  ixpk= 2772, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 102, 103, 104,
 &end
#
#    8 MET  HA            7 ALA  QB          4.50    (#   2773:25  Preassigned    4.56, 5.03 A)
 &rst
  ixpk= 2773, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 102, 103, 104,
 &end
#
#    9 GLY  HA-           8 ALA  QB          5.50    (#   2775:25  Preassigned    4.32, 5.24 A)
 &rst
  ixpk= 2775, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 110, 111,
 igr2= 102, 103, 104,
 &end
#
#   60 ASN  HB+           8 ALA  QB          5.50    (#   2776:25  Preassigned    4.93, 5.94 A)
 &rst
  ixpk= 2776, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 955, 956,
 igr2= 102, 103, 104,
 &end
#
#   34 MET  QE            8 ALA  QB          5.50    (#   2777:25  Preassigned    2.46, 4.37 A)
 &rst
  ixpk= 2777, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 507, 508, 509,
 igr2= 102, 103, 104,
 &end
#
#   11 LEU  HN           59 VAL  QG2         5.50    (#   2779:25  Preassigned    2.51, 3.43 A)
 &rst
  ixpk= 2779, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#   59 VAL  HN           59 VAL  QG2         3.50    (#   2780:25  Preassigned    2.51, 3.12 A)
 &rst
  ixpk= 2780, nxpk= 25, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 945, 946, 947,
 &end
#
#    0 AMB  25-3:2781    59 VAL  QG2         5.50    (#   2781:25  Single Ambig)
 &rst
  ixpk= 2781, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  81, 925, 929,
 igr2= 945, 946, 947,
 &end
#
#    8 ALA  HA           59 VAL  QG2         5.50    (#   2782:25  Preassigned    4.52, 5.76 A)
 &rst
  ixpk= 2782, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#   11 LEU  HA           59 VAL  QG2         5.50    (#   2783:25  Preassigned    3.13, 3.86 A)
 &rst
  ixpk= 2783, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#   59 VAL  HB           59 VAL  QG2         3.50    (#   2784:25  Preassigned    2.43, 2.65 A)
 &rst
  ixpk= 2784, nxpk= 25, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 945, 946, 947,
 &end
#
#   11 LEU  HB2          59 VAL  QG2         4.50    (#   2785:25  Preassigned    2.45, 3.22 A)
 &rst
  ixpk= 2785, nxpk= 25, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 945, 946, 947,
 &end
#
#   60 ASN  HN           59 VAL  QG2         5.50    (#   2787:25  Preassigned    4.05, 4.78 A)
 &rst
  ixpk= 2787, nxpk= 25, iat= 951,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#    9 GLY  HN           59 VAL  QG2         4.50    (#   2789:25  Preassigned    3.10, 4.24 A)
 &rst
  ixpk= 2789, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 945, 946, 947,
 &end
#
#    10 ASN  HA           59 VAL  QG2         5.50    (#   2790:25  Preassigned    2.37, 3.34 A)
 &rst
  ixpk= 2790, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#   59 PHE  HA           58 VAL  QG2         5.50    (#   2791:25  Preassigned    3.15, 4.30 A)
 &rst
  ixpk= 2791, nxpk= 25, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#    0 AMB  25-3:2792    59 VAL  QG2         5.50    (#   2792:25  Single Ambig)
 &rst
  ixpk= 2792, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 953, 487, 905,
 igr2= 945, 946, 947,
 &end
#
#   59 VAL  HA           59 VAL  QG2         5.50    (#   2793:25  Preassigned    3.73, 3.96 A)
 &rst
  ixpk= 2793, nxpk= 25, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#    9 GLY  HA-          59 VAL  QG2         5.50    (#   2794:25  Preassigned    3.32, 4.72 A)
 &rst
  ixpk= 2794, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 110, 111,
 igr2= 945, 946, 947,
 &end
#
#   53 LYS  QE           59 VAL  QG2         5.50    (#   2795:25  Preassigned    5.36, 6.65 A)
 &rst
  ixpk= 2795, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 850, 851,
 igr2= 945, 946, 947,
 &end
#
#    5 ILE  HB           59 VAL  QG2         5.50    (#   2796:25  Preassigned    4.47, 5.60 A)
 &rst
  ixpk= 2796, nxpk= 25, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#   11 LEU  HB3          59 VAL  QG2         5.50    (#   2797:25  Preassigned    4.10, 4.78 A)
 &rst
  ixpk= 2797, nxpk= 25, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#   11 LEU  HG           59 VAL  QG2         5.50    (#   2798:25  Preassigned    4.77, 5.66 A)
 &rst
  ixpk= 2798, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 945, 946, 947,
 &end
#
#   53 LYS  HG-          59 VAL  QG2         5.50    (#   2799:25  Preassigned    4.80, 6.44 A)
 &rst
  ixpk= 2799, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 844, 845,
 igr2= 945, 946, 947,
 &end
#
#    5 ILE  QG2          59 VAL  QG2         3.50    (#   2800:25  Preassigned    2.64, 4.59 A)
 &rst
  ixpk= 2800, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  51,  52,  53,
 igr2= 945, 946, 947,
 &end
#
#    0 AMB  25-3:2801    59 VAL  QG2         2.80    (#   2801:25  Single Ambig)
 &rst
  ixpk= 2801, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 138, 139, 140, 142, 143, 144,
 igr2= 945, 946, 947,
 &end
#
#   11 LEU  HA            5 ILE  QG2         7.00    (#   2803:25  Preassigned    5.95, 6.85 A)
 &rst
  ixpk= 2803, nxpk= 25, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  51,  52,  53,
 &end
#
#    6 GLN  HN            5 ILE  QG2         4.50    (#   2804:25  Preassigned    2.13, 2.87 A)
 &rst
  ixpk= 2804, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  51,  52,  53,
 &end
#
#   62 GLY  HN            5 ILE  QG2         5.50    (#   2805:25  Preassigned    3.76, 5.00 A)
 &rst
  ixpk= 2805, nxpk= 25, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:2806     5 ILE  QG2         5.50    (#   2806:25  Single Ambig)
 &rst
  ixpk= 2806, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  45, 935, 115,
 igr2=  51,  52,  53,
 &end
#
#   63 ASP  HN            5 ILE  QG2         5.50    (#   2807:25  Preassigned    3.94, 4.90 A)
 &rst
  ixpk= 2807, nxpk= 25, iat= 987,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    9 GLY  HN            5 ILE  QG2         5.50    (#   2808:25  Preassigned    4.80, 5.50 A)
 &rst
  ixpk= 2808, nxpk= 25, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    7 MET  HN            5 ILE  QG2         3.50    (#   2809:25  Preassigned    1.89, 2.66 A)
 &rst
  ixpk= 2809, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  51,  52,  53,
 &end
#
#    8 ALA  HA            5 ILE  QG2         5.50    (#   2810:25  Preassigned    4.71, 5.24 A)
 &rst
  ixpk= 2810, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:2811     5 ILE  QG2         5.50    (#   2811:25  Single Ambig)
 &rst
  ixpk= 2811, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 937,  83,
 igr2=  51,  52,  53,
 &end
#
#    6 GLN  HA            5 ILE  QG2         5.50    (#   2812:25  Preassigned    4.00, 4.97 A)
 &rst
  ixpk= 2812, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    5 ILE  HA            5 ILE  QG2         3.50    (#   2813:25  Preassigned    2.50, 3.24 A)
 &rst
  ixpk= 2813, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  51,  52,  53,
 &end
#
#   61 GLU  HA            5 ILE  QG2         5.50    (#   2814:25  Preassigned    2.95, 4.31 A)
 &rst
  ixpk= 2814, nxpk= 25, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#   63 ASP  HB3           5 ILE  QG2         5.50    (#   2815:25  Preassigned    3.59, 4.65 A)
 &rst
  ixpk= 2815, nxpk= 25, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    7 MET  QG            5 ILE  QG2         5.50    (#   2816:25  Preassigned    5.43, 6.51 A)
 &rst
  ixpk= 2816, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  88,  89,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:2817     5 ILE  QG2         5.50    (#   2817:25  Single Ambig)
 &rst
  ixpk= 2817, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  71,  72, 991,
 igr2=  51,  52,  53,
 &end
#
#   59 VAL  HB            5 ILE  QG2         5.50    (#   2818:25  Preassigned    2.08, 3.23 A)
 &rst
  ixpk= 2818, nxpk= 25, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:2819     5 ILE  QG2         2.80    (#   2819:25  Single Ambig)
 &rst
  ixpk= 2819, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  49,  85,  86,
 igr2=  51,  52,  53,
 &end
#
#   65 LEU  HB3           5 ILE  QG2         7.00    (#   2820:25  Preassigned    6.77, 7.34 A)
 &rst
  ixpk= 2820, nxpk= 25, iat=1020,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  51,  52,  53,
 &end
#
#    5 ILE  HG1-          5 ILE  QG2         4.50    (#   2821:25  Preassigned    2.25, 3.50 A)
 &rst
  ixpk= 2821, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  55,  56,
 igr2=  51,  52,  53,
 &end
#
#   65 LEU  HB2           5 ILE  QG2         7.00    (#   2823:25  Preassigned    5.34, 5.92 A)
 &rst
  ixpk= 2823, nxpk= 25, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  51,  52,  53,
 &end
#
#    5 ILE  HG1+          5 ILE  QG2         3.50    (#   2824:25  Preassigned    2.25, 3.50 A)
 &rst
  ixpk= 2824, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  55,  56,
 igr2=  51,  52,  53,
 &end
#
#    5 ILE  QD1           5 ILE  QG2         3.50    (#   2825:25  Preassigned    2.31, 3.77 A)
 &rst
  ixpk= 2825, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  58,  59,  60,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:2826     5 ILE  QG2         3.50    (#   2826:25  Single Ambig)
 &rst
  ixpk= 2826, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:2827     5 ILE  QG2         5.50    (#   2827:25  Single Ambig)
 &rst
  ixpk= 2827, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 951, 965,
 igr2=  51,  52,  53,
 &end
#
#    7 MET  HB+           5 ILE  QG2         5.50    (#   2828:25  Preassigned    3.53, 5.03 A)
 &rst
  ixpk= 2828, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  85,  86,
 igr2=  51,  52,  53,
 &end
#
#    0 AMB  25-3:2829     5 ILE  QG2         5.50    (#   2829:25  Single Ambig)
 &rst
  ixpk= 2829, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 969, 456,
 igr2=  51,  52,  53,
 &end
#
#   32 GLU  HN           30 ILE  QG2         5.50    (#   2830:25  Preassigned    4.22, 5.40 A)
 &rst
  ixpk= 2830, nxpk= 25, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   38 ILE  HN           30 ILE  QG2         4.50    (#   2831:25  Preassigned    3.15, 3.68 A)
 &rst
  ixpk= 2831, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 438, 439, 440,
 &end
#
#   31 LEU  HN           30 ILE  QG2         4.50    (#   2832:25  Preassigned    2.58, 3.18 A)
 &rst
  ixpk= 2832, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 438, 439, 440,
 &end
#
#   30 ILE  HN           30 ILE  QG2         5.50    (#   2833:25  Preassigned    4.35, 4.79 A)
 &rst
  ixpk= 2833, nxpk= 25, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#    0 AMB  25-3:2834    30 ILE  QG2         5.50    (#   2834:25  Single Ambig)
 &rst
  ixpk= 2834, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 148, 628,
 igr2= 438, 439, 440,
 &end
#
#    0 AMB  25-3:2835    30 ILE  QG2         7.00    (#   2835:25  Single Ambig)
 &rst
  ixpk= 2835, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 485, 580,
 igr2= 438, 439, 440,
 &end
#
#   13 LYS  HN           30 ILE  QG2         5.50    (#   2836:25  Preassigned    3.89, 4.88 A)
 &rst
  ixpk= 2836, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   12 TRP  HE3          30 ILE  QG2         4.50    (#   2837:25  Preassigned    2.34, 3.09 A)
 &rst
  ixpk= 2837, nxpk= 25, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 438, 439, 440,
 &end
#
#   12 TRP  HD1          30 ILE  QG2         5.50    (#   2839:25  Preassigned    5.72, 6.42 A)
 &rst
  ixpk= 2839, nxpk= 25, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   32 GLU  HA           30 ILE  QG2         5.50    (#   2840:25  Preassigned    4.60, 5.48 A)
 &rst
  ixpk= 2840, nxpk= 25, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   12 TRP  HA           30 ILE  QG2         7.00    (#   2841:25  Preassigned    5.44, 6.69 A)
 &rst
  ixpk= 2841, nxpk= 25, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 438, 439, 440,
 &end
#
#   39 PRO  HA           30 ILE  QG2         5.50    (#   2842:25  Preassigned    2.47, 3.67 A)
 &rst
  ixpk= 2842, nxpk= 25, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   30 ILE  HA           30 ILE  QG2         3.50    (#   2843:25  Preassigned    2.47, 3.11 A)
 &rst
  ixpk= 2843, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 438, 439, 440,
 &end
#
#   39 PRO  HD+          30 ILE  QG2         5.50    (#   2844:25  Preassigned    4.10, 5.72 A)
 &rst
  ixpk= 2844, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 615, 616,
 igr2= 438, 439, 440,
 &end
#
#   12 TRP  HB2          30 ILE  QG2         5.50    (#   2845:25  Preassigned    3.40, 5.00 A)
 &rst
  ixpk= 2845, nxpk= 25, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   12 TRP  HB3          30 ILE  QG2         5.50    (#   2846:25  Preassigned    2.45, 3.73 A)
 &rst
  ixpk= 2846, nxpk= 25, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   35 BTL  H5           30 ILE  QG2         5.50    (#   2847:25  Preassigned    5.19, 5.83 A)
 &rst
  ixpk= 2847, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#    0 AMB  25-3:2848    30 ILE  QG2         4.50    (#   2848:25  Single Ambig)
 &rst
  ixpk= 2848, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 587, 588, 185, 186,
 igr2= 438, 439, 440,
 &end
#
#    0 AMB  25-3:2849    30 ILE  QG2         4.50    (#   2849:25  Single Ambig)
 &rst
  ixpk= 2849, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 584, 585, 599,
 igr2= 438, 439, 440,
 &end
#
#   30 ILE  HB           30 ILE  QG2         2.80    (#   2850:25  Preassigned    2.44, 2.67 A)
 &rst
  ixpk= 2850, nxpk= 25, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 438, 439, 440,
 &end
#
#   30 ILE  HG1+         30 ILE  QG2         4.50    (#   2851:25  Preassigned    2.62, 3.58 A)
 &rst
  ixpk= 2851, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 442, 443,
 igr2= 438, 439, 440,
 &end
#
#   31 LEU  HB2          30 ILE  QG2         5.50    (#   2852:25  Preassigned    4.33, 5.05 A)
 &rst
  ixpk= 2852, nxpk= 25, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   40 ILE  QD1          30 ILE  QG2         4.50    (#   2855:25  Preassigned    5.45, 6.98 A)
 &rst
  ixpk= 2855, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 641, 642, 643,
 igr2= 438, 439, 440,
 &end
#
#   32 GLU  HB3          30 ILE  QG2         5.50    (#   2856:25  Unique         5.72, 6.92 A)
 &rst
  ixpk= 2856, nxpk= 25, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   22 ILE  HG1+         22 ILE  QG2         3.50    (#   2857:25  Preassigned    2.52, 3.57 A)
 &rst
  ixpk= 2857, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 321, 322,
 igr2= 317, 318, 319,
 &end
#
#    0 AMB  25-3:2858    28 VAL  QG1         7.00    (#   2858:25  Single Ambig)
 &rst
  ixpk= 2858, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 673, 367,
 igr2= 412, 413, 414,
 &end
#
#   17 LYS  HN           16 VAL  QG2         5.50    (#   2859:25  Preassigned    3.91, 4.71 A)
 &rst
  ixpk= 2859, nxpk= 25, iat= 243,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#   16 HID  HN           15 VAL  QG2         5.50    (#   2860:25  Preassigned    2.63, 3.69 A)
 &rst
  ixpk= 2860, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#   16 VAL  HN           16 VAL  QG2         3.50    (#   2861:25  Preassigned    2.23, 2.91 A)
 &rst
  ixpk= 2861, nxpk= 25, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 237, 238, 239,
 &end
#
#    0 AMB  25-3:2862    16 VAL  QG2         4.50    (#   2862:25  Single Ambig)
 &rst
  ixpk= 2862, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 229, 212,
 igr2= 237, 238, 239,
 &end
#
#   17 LYS  HA           16 VAL  QG2         5.50    (#   2863:25  Preassigned    4.17, 5.26 A)
 &rst
  ixpk= 2863, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#   14 VAL  HA           16 VAL  QG2         5.50    (#   2864:25  Preassigned    4.05, 4.96 A)
 &rst
  ixpk= 2864, nxpk= 25, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#    0 AMB  25-3:2865    16 VAL  QG2         5.50    (#   2865:25  Single Ambig)
 &rst
  ixpk= 2865, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 803, 198,
 igr2= 237, 238, 239,
 &end
#
#   28 VAL  HA           16 VAL  QG2         5.50    (#   2866:25  Preassigned    3.44, 4.49 A)
 &rst
  ixpk= 2866, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 237, 238, 239,
 &end
#
#    0 AMB  25-3:2867    16 VAL  QG2         5.50    (#   2867:25  Single Ambig)
 &rst
  ixpk= 2867, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 214, 287,
 igr2= 237, 238, 239,
 &end
#
#    0 AMB  25-3:2868    16 VAL  QG2         2.80    (#   2868:25  Single Ambig)
 &rst
  ixpk= 2868, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 231, 410,
 igr2= 237, 238, 239,
 &end
#
#   29 ALA  QB           16 VAL  QG2         5.50    (#   2869:25  Preassigned    3.94, 5.75 A)
 &rst
  ixpk= 2869, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 426, 427, 428,
 igr2= 237, 238, 239,
 &end
#
#   17 LYS  HG-          16 VAL  QG2         7.00    (#   2870:25  Unique         5.53, 6.75 A)
 &rst
  ixpk= 2870, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 250, 251,
 igr2= 237, 238, 239,
 &end
#
#    0 AMB  25-3:2871    16 VAL  QG2         3.50    (#   2871:25  Single Ambig)
 &rst
  ixpk= 2871, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 805, 806, 807, 200, 201, 202,
 igr2= 237, 238, 239,
 &end
#
#   48 VAL  QG2          16 VAL  QG2         4.50    (#   2873:25  Preassigned    3.24, 5.39 A)
 &rst
  ixpk= 2873, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 756, 757, 758,
 igr2= 237, 238, 239,
 &end
#
#   42 ALA  HA           22 ILE  QG2         5.50    (#   2875:25  Unique         5.21, 6.45 A)
 &rst
  ixpk= 2875, nxpk= 25, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#    0 AMB  25-3:2876    22 ILE  QG2         4.50    (#   2876:25  Single Ambig)
 &rst
  ixpk= 2876, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 311, 746,
 igr2= 317, 318, 319,
 &end
#
#    0 AMB  25-3:2877    22 ILE  QG2         5.50    (#   2877:25  Single Ambig)
 &rst
  ixpk= 2877, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 294, 243, 663,
 igr2= 317, 318, 319,
 &end
#
#    0 AMB  25-3:2878    22 ILE  QG2         5.50    (#   2878:25  Single Ambig)
 &rst
  ixpk= 2878, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 330, 720,
 igr2= 317, 318, 319,
 &end
#
#   26 GLN  HE21         22 ILE  QG2         5.50    (#   2879:25  Preassigned    2.26, 3.46 A)
 &rst
  ixpk= 2879, nxpk= 25, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   26 GLN  HE22         22 ILE  QG2         5.50    (#   2880:25  Preassigned    2.55, 4.36 A)
 &rst
  ixpk= 2880, nxpk= 25, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   22 ILE  HA           22 ILE  QG2         3.50    (#   2881:25  Preassigned    2.39, 3.10 A)
 &rst
  ixpk= 2881, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 317, 318, 319,
 &end
#
#   16 VAL  HA           22 ILE  QG2         5.50    (#   2882:25  Preassigned    4.60, 4.80 A)
 &rst
  ixpk= 2882, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   20 ASP  HA           22 ILE  QG2         5.50    (#   2883:25  Preassigned    5.38, 6.42 A)
 &rst
  ixpk= 2883, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   20 ASP  HB3          22 ILE  QG2         5.50    (#   2884:25  Preassigned    3.43, 4.41 A)
 &rst
  ixpk= 2884, nxpk= 25, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   20 ASP  HB2          22 ILE  QG2         5.50    (#   2885:25  Preassigned    5.06, 5.93 A)
 &rst
  ixpk= 2885, nxpk= 25, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#    0 AMB  25-3:2886    22 ILE  QG2         4.50    (#   2886:25  Single Ambig)
 &rst
  ixpk= 2886, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 410, 231, 301, 302,
 igr2= 317, 318, 319,
 &end
#
#   26 GLN  HB3          22 ILE  QG2         5.50    (#   2887:25  Preassigned    4.17, 4.95 A)
 &rst
  ixpk= 2887, nxpk= 25, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 317, 318, 319,
 &end
#
#   22 ILE  HB           22 ILE  QG2         2.80    (#   2888:25  Preassigned    2.38, 2.64 A)
 &rst
  ixpk= 2888, nxpk= 25, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 317, 318, 319,
 &end
#
#   22 ILE  HG1-         22 ILE  QG2         4.50    (#   2889:25  Preassigned    2.52, 3.57 A)
 &rst
  ixpk= 2889, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 321, 322,
 igr2= 317, 318, 319,
 &end
#
#   48 VAL  QG2          22 ILE  QG2         2.80    (#   2890:25  Preassigned    2.34, 3.68 A)
 &rst
  ixpk= 2890, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 756, 757, 758,
 igr2= 317, 318, 319,
 &end
#
#    0 AMB  25-3:2891    22 ILE  QG2         4.50    (#   2891:25  Single Ambig)
 &rst
  ixpk= 2891, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 296, 729,
 igr2= 317, 318, 319,
 &end
#
#   66 LEU  HB+          28 VAL  QG1         5.50    (#   2892:25  Unique         5.52, 6.86 A)
 &rst
  ixpk= 2892, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1038,1039,
 igr2= 412, 413, 414,
 &end
#
#   68 LEU  QD2          22 ILE  QG2         4.50    (#   2894:25  Preassigned    4.66, 5.85 A)
 &rst
  ixpk= 2894, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1081,1082,1083,
 igr2= 317, 318, 319,
 &end
#
#   29 ALA  HA           28 VAL  QG1         7.00    (#   2895:25  Preassigned    6.68, 6.96 A)
 &rst
  ixpk= 2895, nxpk= 25, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 412, 413, 414,
 &end
#
#   23 GLU  HB3          22 ILE  QG2         7.00    (#   2896:25  Preassigned    6.14, 6.99 A)
 &rst
  ixpk= 2896, nxpk= 25, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 317, 318, 319,
 &end
#
#   22 ILE  HG1-         28 VAL  QG1         5.50    (#   2898:25  Preassigned    4.64, 5.45 A)
 &rst
  ixpk= 2898, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 321, 322,
 igr2= 412, 413, 414,
 &end
#
#   28 VAL  HN           28 VAL  QG1         4.50    (#   2899:25  Preassigned    2.95, 3.85 A)
 &rst
  ixpk= 2899, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 412, 413, 414,
 &end
#
#   42 ALA  HN           28 VAL  QG1         5.50    (#   2900:25  Preassigned    2.52, 3.57 A)
 &rst
  ixpk= 2900, nxpk= 25, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 412, 413, 414,
 &end
#
#   15 HID  HN           28 VAL  QG1         5.50    (#   2901:25  Preassigned    5.47, 6.19 A)
 &rst
  ixpk= 2901, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 412, 413, 414,
 &end
#
#   29 ALA  HN           28 VAL  QG1         4.50    (#   2902:25  Preassigned    4.72, 5.19 A)
 &rst
  ixpk= 2902, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 412, 413, 414,
 &end
#
#    0 AMB  25-3:2904    28 VAL  QG1         5.50    (#   2904:25  Single Ambig)
 &rst
  ixpk= 2904, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 649, 229,
 igr2= 412, 413, 414,
 &end
#
#   28 VAL  HA           28 VAL  QG1         4.50    (#   2905:25  Preassigned    2.38, 3.06 A)
 &rst
  ixpk= 2905, nxpk= 25, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 412, 413, 414,
 &end
#
#   28 GLU  HA           27 VAL  QG1         5.50    (#   2906:25  Preassigned    4.02, 5.03 A)
 &rst
  ixpk= 2906, nxpk= 25, iat= 393,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 412, 413, 414,
 &end
#
#   42 ALA  HA           28 VAL  QG1         5.50    (#   2907:25  Preassigned    3.04, 3.95 A)
 &rst
  ixpk= 2907, nxpk= 25, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 412, 413, 414,
 &end
#
#   28 VAL  HB           28 VAL  QG1         2.80    (#   2908:25  Preassigned    2.40, 2.66 A)
 &rst
  ixpk= 2908, nxpk= 25, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 412, 413, 414,
 &end
#
#   28 GLU  HG-          27 VAL  QG1         5.50    (#   2909:25  Preassigned    5.68, 6.51 A)
 &rst
  ixpk= 2909, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 398, 399,
 igr2= 412, 413, 414,
 &end
#
#    0 AMB  25-3:2910    28 VAL  QG1         7.00    (#   2910:25  Single Ambig)
 &rst
  ixpk= 2910, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 651,  22,
 igr2= 412, 413, 414,
 &end
#
#    0 AMB  25-3:2911    28 VAL  QG1         5.50    (#   2911:25  Single Ambig)
 &rst
  ixpk= 2911, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1038,1039, 632,
 igr2= 412, 413, 414,
 &end
#
#   29 ALA  QB           28 VAL  QG1         5.50    (#   2912:25  Preassigned    6.48, 7.23 A)
 &rst
  ixpk= 2912, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 426, 427, 428,
 igr2= 412, 413, 414,
 &end
#
#   73 GLN  HN           72 THR  HB          5.50    (#   2916:25  Preassigned    2.39, 3.20 A)
 &rst
  ixpk= 2916, nxpk= 25, iat=1137,1127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 THR  HA           72 THR  HB          5.50    (#   2917:25  Preassigned    2.47, 2.60 A)
 &rst
  ixpk= 2917, nxpk= 25, iat=1125,1127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 GLN  HA           72 THR  HB          7.00    (#   2918:25  Preassigned    4.02, 4.62 A)
 &rst
  ixpk= 2918, nxpk= 25, iat=1139,1127, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   72 THR  QG2          72 THR  HB          4.50    (#   2920:25  Preassigned    2.35, 2.66 A)
 &rst
  ixpk= 2920, nxpk= 25, iat=  -1,1127, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1129,1130,1131,
 &end
#
#   19 GLY  HN           18 ALA  QB          4.50    (#   2922:25  Preassigned    2.98, 3.85 A)
 &rst
  ixpk= 2922, nxpk= 25, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 269, 270, 271,
 &end
#
#   51 VAL  HN           18 ALA  QB          5.50    (#   2923:25  Preassigned    3.69, 5.01 A)
 &rst
  ixpk= 2923, nxpk= 25, iat= 799,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 269, 270, 271,
 &end
#
#   18 ALA  HN           18 ALA  QB          2.80    (#   2924:25  Preassigned    2.49, 2.89 A)
 &rst
  ixpk= 2924, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 269, 270, 271,
 &end
#
#   18 LYS  HA           17 ALA  QB          5.50    (#   2925:25  Preassigned    4.75, 5.22 A)
 &rst
  ixpk= 2925, nxpk= 25, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 269, 270, 271,
 &end
#
#   50 GLU  HA           18 ALA  QB          4.50    (#   2926:25  Preassigned    2.52, 3.71 A)
 &rst
  ixpk= 2926, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 269, 270, 271,
 &end
#
#   18 ALA  HA           18 ALA  QB          2.80    (#   2927:25  Preassigned    2.46, 2.66 A)
 &rst
  ixpk= 2927, nxpk= 25, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  25-3:2928    18 ALA  QB          5.50    (#   2928:25  Single Ambig)
 &rst
  ixpk= 2928, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 247, 248, 789,
 igr2= 269, 270, 271,
 &end
#
#   51 VAL  QG2          18 ALA  QB          4.50    (#   2929:25  Preassigned    2.92, 5.65 A)
 &rst
  ixpk= 2929, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 809, 810, 811,
 igr2= 269, 270, 271,
 &end
#
#   48 VAL  QG1          18 ALA  QB          4.50    (#   2930:25  Preassigned    3.81, 5.43 A)
 &rst
  ixpk= 2930, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 752, 753, 754,
 igr2= 269, 270, 271,
 &end
#
#   20 ASP  HN           18 ALA  QB          5.50    (#   2931:25  Preassigned    5.18, 5.43 A)
 &rst
  ixpk= 2931, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 269, 270, 271,
 &end
#
#   50 GLU  HN           18 ALA  QB          5.50    (#   2932:25  Preassigned    4.68, 5.71 A)
 &rst
  ixpk= 2932, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 269, 270, 271,
 &end
#
#   19 GLY  HA-          18 ALA  QB          5.50    (#   2933:25  Preassigned    4.32, 5.25 A)
 &rst
  ixpk= 2933, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 277, 278,
 igr2= 269, 270, 271,
 &end
#
#   48 VAL  HB           18 ALA  QB          5.50    (#   2934:25  Preassigned    5.19, 5.60 A)
 &rst
  ixpk= 2934, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 269, 270, 271,
 &end
#
#    0 AMB  25-3:2935     0 AMB  25-1:2935   5.50    (#   2935:25  Double Ambig)
 &rst
  ixpk= 2935, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 503, 504, 570, 571,
 igr2= 507, 508, 509, 574, 575, 576,
 &end
#
#    7 MET  QG           36 MET  QE          5.50    (#   2937:25  Preassigned    4.40, 5.73 A)
 &rst
  ixpk= 2937, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  88,  89,
 igr2= 574, 575, 576,
 &end
#
#    8 ALA  QB           34 MET  QE          5.50    (#   2940:25  Preassigned    2.46, 4.37 A)
 &rst
  ixpk= 2940, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 102, 103, 104,
 igr2= 507, 508, 509,
 &end
#
#    7 MET  HN            7 MET  QE          7.00    (#   2941:25  Preassigned    5.64, 6.92 A)
 &rst
  ixpk= 2941, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  92,  93,  94,
 &end
#
#   31 LEU  HB3           7 MET  QE          5.50    (#   2942:25  Preassigned    5.26, 6.63 A)
 &rst
  ixpk= 2942, nxpk= 25, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-3:2943    38 ILE  QG2         5.50    (#   2943:25  Single Ambig)
 &rst
  ixpk= 2943, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 628, 647,
 igr2= 601, 602, 603,
 &end
#
#   38 ILE  HN           38 ILE  QG2         5.50    (#   2944:25  Preassigned    4.57, 4.85 A)
 &rst
  ixpk= 2944, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-3:2945    38 ILE  QG2         5.50    (#   2945:25  Single Ambig)
 &rst
  ixpk= 2945, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 451,  64,
 igr2= 601, 602, 603,
 &end
#
#    6 GLN  HE21         38 ILE  QG2         5.50    (#   2946:25  Preassigned    5.02, 5.76 A)
 &rst
  ixpk= 2946, nxpk= 25, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 601, 602, 603,
 &end
#
#    6 GLN  HE22         38 ILE  QG2         5.50    (#   2947:25  Preassigned    5.06, 6.02 A)
 &rst
  ixpk= 2947, nxpk= 25, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 601, 602, 603,
 &end
#
#   38 ILE  HA           38 ILE  QG2         3.50    (#   2948:25  Preassigned    2.47, 2.98 A)
 &rst
  ixpk= 2948, nxpk= 25, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-3:2949    38 ILE  QG2         5.50    (#   2949:25  Single Ambig)
 &rst
  ixpk= 2949, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 434, 582,
 igr2= 601, 602, 603,
 &end
#
#   39 PRO  HD+          38 ILE  QG2         5.50    (#   2950:25  Preassigned    2.62, 4.13 A)
 &rst
  ixpk= 2950, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 615, 616,
 igr2= 601, 602, 603,
 &end
#
#   39 PRO  HD-          38 ILE  QG2         4.50    (#   2951:25  Preassigned    2.62, 4.13 A)
 &rst
  ixpk= 2951, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 615, 616,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-3:2952    38 ILE  QG2         5.50    (#   2952:25  Single Ambig)
 &rst
  ixpk= 2952, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  71,  72, 621, 622,
 igr2= 601, 602, 603,
 &end
#
#    7 MET  QG           38 ILE  QG2         5.50    (#   2953:25  Preassigned    3.92, 5.96 A)
 &rst
  ixpk= 2953, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  88,  89,
 igr2= 601, 602, 603,
 &end
#
#   39 PRO  HG-          38 ILE  QG2         5.50    (#   2954:25  Preassigned    3.81, 5.36 A)
 &rst
  ixpk= 2954, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 618, 619,
 igr2= 601, 602, 603,
 &end
#
#   39 PRO  HG+          38 ILE  QG2         5.50    (#   2955:25  Unique         3.81, 5.36 A)
 &rst
  ixpk= 2955, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 618, 619,
 igr2= 601, 602, 603,
 &end
#
#   38 ILE  HB           38 ILE  QG2         2.80    (#   2956:25  Preassigned    2.42, 2.66 A)
 &rst
  ixpk= 2956, nxpk= 25, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-3:2957    38 ILE  QG2         5.50    (#   2957:25  Single Ambig)
 &rst
  ixpk= 2957, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 621, 622, 456,
 igr2= 601, 602, 603,
 &end
#
#   38 ILE  HG1+         38 ILE  QG2         3.50    (#   2958:25  Preassigned    2.27, 3.54 A)
 &rst
  ixpk= 2958, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 605, 606,
 igr2= 601, 602, 603,
 &end
#
#   40 ILE  HG1-         38 ILE  QG2         5.50    (#   2959:25  Preassigned    4.43, 5.95 A)
 &rst
  ixpk= 2959, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639,
 igr2= 601, 602, 603,
 &end
#
#   38 ILE  HG1-         38 ILE  QG2         3.50    (#   2960:25  Preassigned    2.27, 3.54 A)
 &rst
  ixpk= 2960, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 605, 606,
 igr2= 601, 602, 603,
 &end
#
#   30 ILE  QG2          38 ILE  QG2         5.50    (#   2961:25  Preassigned    5.82, 7.43 A)
 &rst
  ixpk= 2961, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 438, 439, 440,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  25-3:2962    38 ILE  QG2         4.50    (#   2962:25  Single Ambig)
 &rst
  ixpk= 2962, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2= 601, 602, 603,
 &end
#
#   40 ILE  HA           38 ILE  QG2         5.50    (#   2963:25  Preassigned    4.53, 5.66 A)
 &rst
  ixpk= 2963, nxpk= 25, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 601, 602, 603,
 &end
#
#   49 LYS  HN           47 ILE  QG2         5.50    (#   2964:25  Preassigned    4.46, 5.90 A)
 &rst
  ixpk= 2964, nxpk= 25, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 &end
#
#    0 AMB  25-3:2965     0 AMB  25-1:2965   5.50    (#   2965:25  Double Ambig)
 &rst
  ixpk= 2965, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 275,  64,
 igr2= 733, 734, 735, 634, 635, 636,
 &end
#
#    0 AMB  25-3:2966     0 AMB  25-1:2966   5.50    (#   2966:25  Double Ambig)
 &rst
  ixpk= 2966, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1087, 406,
 igr2= 733, 734, 735, 634, 635, 636,
 &end
#
#   48 VAL  HN           47 ILE  QG2         4.50    (#   2967:25  Preassigned    2.83, 3.50 A)
 &rst
  ixpk= 2967, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 733, 734, 735,
 &end
#
#   47 ILE  HN           47 ILE  QG2         5.50    (#   2968:25  Preassigned    4.11, 4.62 A)
 &rst
  ixpk= 2968, nxpk= 25, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 &end
#
#    0 AMB  25-3:2969    47 ILE  QG2         3.50    (#   2969:25  Single Ambig)
 &rst
  ixpk= 2969, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 729, 296,
 igr2= 733, 734, 735,
 &end
#
#   19 GLY  HA+          47 ILE  QG2         5.50    (#   2970:25  Preassigned    2.73, 3.97 A)
 &rst
  ixpk= 2970, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 277, 278,
 igr2= 733, 734, 735,
 &end
#
#   69 SER  QB           47 ILE  QG2         5.50    (#   2971:25  Preassigned    3.03, 5.17 A)
 &rst
  ixpk= 2971, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1091,1092,
 igr2= 733, 734, 735,
 &end
#
#   48 VAL  HA           47 ILE  QG2         5.50    (#   2972:25  Preassigned    4.42, 5.35 A)
 &rst
  ixpk= 2972, nxpk= 25, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 &end
#
#   48 VAL  HB           47 ILE  QG2         5.50    (#   2973:25  Unique         4.24, 4.97 A)
 &rst
  ixpk= 2973, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 &end
#
#    0 AMB  25-3:2974     0 AMB  25-1:2974   3.50    (#   2974:25  Double Ambig)
 &rst
  ixpk= 2974, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 737, 738,  55,  56,
 igr2= 733, 734, 735, 634, 635, 636,
 &end
#
#   20 ASP  HN           47 ILE  QG2         5.50    (#   2975:25  Preassigned    3.09, 4.88 A)
 &rst
  ixpk= 2975, nxpk= 25, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 &end
#
#   18 ALA  HA           47 ILE  QG2         5.50    (#   2976:25  Preassigned    5.06, 6.20 A)
 &rst
  ixpk= 2976, nxpk= 25, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 &end
#
#   19 GLY  HA-          47 ILE  QG2         4.50    (#   2977:25  Preassigned    2.73, 3.97 A)
 &rst
  ixpk= 2977, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 277, 278,
 igr2= 733, 734, 735,
 &end
#
#   21 GLN  QB           47 ILE  QG2         5.50    (#   2978:25  Preassigned    3.90, 6.20 A)
 &rst
  ixpk= 2978, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 298, 299,
 igr2= 733, 734, 735,
 &end
#
#   33 SER  HG            0 AMB  25-1:2979   5.50    (#   2979:25  Single Ambig)
 &rst
  ixpk= 2979, nxpk= 25, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 507, 508, 509, 574, 575, 576,
 &end
#
#    9 GLY  HA-          36 MET  QE          5.50    (#   2980:25  Preassigned    6.68, 7.36 A)
 &rst
  ixpk= 2980, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 110, 111,
 igr2= 574, 575, 576,
 &end
#
#    7 MET  QG            7 MET  QE          4.50    (#   2981:25  Preassigned    2.44, 3.35 A)
 &rst
  ixpk= 2981, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  88,  89,
 igr2=  92,  93,  94,
 &end
#
#   34 MET  HG+          34 MET  QE          5.50    (#   2982:25  Preassigned    2.49, 3.25 A)
 &rst
  ixpk= 2982, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 503, 504,
 igr2= 507, 508, 509,
 &end
#
#    0 AMB  25-3:2984     0 AMB  25-1:2984   5.50    (#   2984:25  Double Ambig)
 &rst
  ixpk= 2984, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 485, 580,
 igr2= 574, 575, 576, 507, 508, 509,
 &end
#
#    0 AMB  25-3:2985     0 AMB  25-1:2985   5.50    (#   2985:25  Double Ambig)
 &rst
  ixpk= 2985, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 108, 563,
 igr2= 507, 508, 509, 574, 575, 576,
 &end
#
#    0 AMB  25-3:2986     0 AMB  25-1:2986   5.50    (#   2986:25  Double Ambig)
 &rst
  ixpk= 2986, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 100, 565,
 igr2= 507, 508, 509, 574, 575, 576,
 &end
#
#   33 SER  HB3          36 MET  QE          5.50    (#   2987:25  Preassigned    2.41, 3.31 A)
 &rst
  ixpk= 2987, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 574, 575, 576,
 &end
#
#   38 ILE  HG1+         36 MET  QE          5.50    (#   2988:25  Preassigned    4.41, 6.05 A)
 &rst
  ixpk= 2988, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 605, 606,
 igr2= 574, 575, 576,
 &end
#
#   38 ILE  HG1-         36 MET  QE          5.50    (#   2990:25  Preassigned    4.41, 6.05 A)
 &rst
  ixpk= 2990, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 605, 606,
 igr2= 574, 575, 576,
 &end
#
#   38 ILE  QD1          36 MET  QE          5.50    (#   2993:25  Preassigned    2.92, 5.47 A)
 &rst
  ixpk= 2993, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 608, 609, 610,
 igr2= 574, 575, 576,
 &end
#
#   34 MET  HN           34 MET  QE          5.50    (#   2995:25  Preassigned    3.59, 4.54 A)
 &rst
  ixpk= 2995, nxpk= 25, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 507, 508, 509,
 &end
#
#    9 GLY  HA+          34 MET  QE          5.50    (#   2996:25  Unique         2.37, 4.24 A)
 &rst
  ixpk= 2996, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 110, 111,
 igr2= 507, 508, 509,
 &end
#
#   33 SER  HB3          36 MET  QE          5.50    (#   2997:25  Preassigned    2.41, 3.31 A)
 &rst
  ixpk= 2997, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 574, 575, 576,
 &end
#
#    8 ALA  QB           34 MET  QE          5.50    (#   2998:25  Preassigned    2.46, 4.37 A)
 &rst
  ixpk= 2998, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 102, 103, 104,
 igr2= 507, 508, 509,
 &end
#
#   38 ILE  QD1          36 MET  QE          5.50    (#   2999:25  Preassigned    2.92, 5.47 A)
 &rst
  ixpk= 2999, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 608, 609, 610,
 igr2= 574, 575, 576,
 &end
#
#    10 ASN  HB2          34 MET  QE          5.50    (#   3001:25  Preassigned    5.84, 6.79 A)
 &rst
  ixpk= 3001, nxpk= 25, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 507, 508, 509,
 &end
#
#    8 ALA  HA            7 MET  QE          7.00    (#   3003:25  Preassigned    4.89, 5.93 A)
 &rst
  ixpk= 3003, nxpk= 25, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  92,  93,  94,
 &end
#
#   33 SER  HB2           7 MET  QE          5.50    (#   3004:25  Preassigned    3.24, 4.38 A)
 &rst
  ixpk= 3004, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#   38 ILE  HG1+          7 MET  QE          5.50    (#   3006:25  Preassigned    3.96, 6.11 A)
 &rst
  ixpk= 3006, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 605, 606,
 igr2=  92,  93,  94,
 &end
#
#   38 ILE  HG1-          7 MET  QE          5.50    (#   3007:25  Preassigned    3.96, 6.11 A)
 &rst
  ixpk= 3007, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 605, 606,
 igr2=  92,  93,  94,
 &end
#
#   38 ILE  QD1           7 MET  QE          4.50    (#   3009:25  Preassigned    2.69, 4.55 A)
 &rst
  ixpk= 3009, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 608, 609, 610,
 igr2=  92,  93,  94,
 &end
#
#   34 MET  HN            7 MET  QE          5.50    (#   3010:25  Unique         5.39, 6.52 A)
 &rst
  ixpk= 3010, nxpk= 25, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#    8 ALA  HN            7 MET  QE          5.50    (#   3011:25  Preassigned    2.84, 3.79 A)
 &rst
  ixpk= 3011, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#    7 MET  HA            7 MET  QE          5.50    (#   3012:25  Preassigned    4.15, 4.99 A)
 &rst
  ixpk= 3012, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#   33 SER  HB3           7 MET  QE          5.50    (#   3013:25  Preassigned    2.13, 2.97 A)
 &rst
  ixpk= 3013, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-3:3015     7 MET  QE          5.50    (#   3015:25  Single Ambig)
 &rst
  ixpk= 3015, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-3:3017     7 MET  QE          4.50    (#   3017:25  Single Ambig)
 &rst
  ixpk= 3017, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 567, 500, 501,
 igr2=  92,  93,  94,
 &end
#
#   43 ASP  HN           40 ILE  QG2         5.50    (#   3018:25  Preassigned    5.25, 6.24 A)
 &rst
  ixpk= 3018, nxpk= 25, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 634, 635, 636,
 &end
#
#    0 AMB  25-3:3020    40 ILE  QG2         4.50    (#   3020:25  Single Ambig)
 &rst
  ixpk= 3020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 647, 628,
 igr2= 634, 635, 636,
 &end
#
#   29 ALA  HN           40 ILE  QG2         5.50    (#   3021:25  Preassigned    3.89, 4.83 A)
 &rst
  ixpk= 3021, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 634, 635, 636,
 &end
#
#    0 AMB  25-3:3022    40 ILE  QG2         5.50    (#   3022:25  Single Ambig)
 &rst
  ixpk= 3022, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  22, 651,
 igr2= 634, 635, 636,
 &end
#
#   40 ILE  HG1+         40 ILE  QG2         3.50    (#   3023:25  Preassigned    2.43, 3.50 A)
 &rst
  ixpk= 3023, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 638, 639,
 igr2= 634, 635, 636,
 &end
#
#    4 SER  HN           40 ILE  QG2         7.00    (#   3024:25  Preassigned    5.63, 6.16 A)
 &rst
  ixpk= 3024, nxpk= 25, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 634, 635, 636,
 &end
#
#   41 VAL  HA           40 ILE  QG2         5.50    (#   3025:25  Preassigned    4.25, 5.33 A)
 &rst
  ixpk= 3025, nxpk= 25, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 634, 635, 636,
 &end
#
#   20 ASP  HA           47 ILE  QG2         5.50    (#   3026:25  Preassigned    3.72, 5.46 A)
 &rst
  ixpk= 3026, nxpk= 25, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 &end
#
#   40 ILE  HA           40 ILE  QG2         3.50    (#   3027:25  Preassigned    2.38, 3.05 A)
 &rst
  ixpk= 3027, nxpk= 25, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 634, 635, 636,
 &end
#
#    0 AMB  25-3:3028     0 AMB  25-1:3028   5.50    (#   3028:25  Double Ambig)
 &rst
  ixpk= 3028, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 665, 722, 723,
 igr2= 634, 635, 636, 733, 734, 735,
 &end
#
#    5 ILE  HA           40 ILE  QG2         5.50    (#   3029:25  Preassigned    3.22, 4.27 A)
 &rst
  ixpk= 3029, nxpk= 25, iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 634, 635, 636,
 &end
#
#    0 AMB  25-3:3030     0 AMB  25-1:3030   2.80    (#   3030:25  Double Ambig)
 &rst
  ixpk= 3030, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 731, 632,
 igr2= 733, 734, 735, 634, 635, 636,
 &end
#
#   29 ALA  QB           40 ILE  QG2         3.50    (#   3031:25  Preassigned    3.10, 5.02 A)
 &rst
  ixpk= 3031, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 426, 427, 428,
 igr2= 634, 635, 636,
 &end
#
#   40 ILE  HG1-         40 ILE  QG2         3.50    (#   3032:25  Preassigned    2.43, 3.50 A)
 &rst
  ixpk= 3032, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 638, 639,
 igr2= 634, 635, 636,
 &end
#
#    5 ILE  QG2          40 ILE  QG2         4.50    (#   3033:25  Unique         4.44, 6.43 A)
 &rst
  ixpk= 3033, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  51,  52,  53,
 igr2= 634, 635, 636,
 &end
#
#   31 LEU  HG           40 ILE  QG2         4.50    (#   3034:25  Preassigned    4.40, 5.28 A)
 &rst
  ixpk= 3034, nxpk= 25, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 634, 635, 636,
 &end
#
#    0 AMB  25-3:3035    22 ILE  QD1         5.50    (#   3035:25  Single Ambig)
 &rst
  ixpk= 3035, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 673, 367,
 igr2= 324, 325, 326,
 &end
#
#   20 ASP  HB3          22 ILE  QD1         7.00    (#   3036:25  Preassigned    5.45, 6.81 A)
 &rst
  ixpk= 3036, nxpk= 25, iat= 287,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 324, 325, 326,
 &end
#
#   13 LYS  HE-          30 ILE  QD1         5.50    (#   3038:25  Preassigned    2.08, 3.15 A)
 &rst
  ixpk= 3038, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 185, 186,
 igr2= 445, 446, 447,
 &end
#
#   27 GLU  HG+          30 ILE  QD1         5.50    (#   3039:25  Preassigned    4.26, 5.31 A)
 &rst
  ixpk= 3039, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 398, 399,
 igr2= 445, 446, 447,
 &end
#
#   27 GLU  HB3          30 ILE  QD1         5.50    (#   3040:25  Unique         5.85, 6.96 A)
 &rst
  ixpk= 3040, nxpk= 25, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#    5 SER  HB2           4 ILE  QD1         5.50    (#   3041:25  Preassigned    5.62, 7.41 A)
 &rst
  ixpk= 3041, nxpk= 25, iat=  38,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  58,  59,  60,
 &end
#
#    0 AMB  25-3:3042     0 AMB  25-1:3042   5.50    (#   3042:25  Double Ambig)
 &rst
  ixpk= 3042, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1001, 615, 616,
 igr2=  58,  59,  60, 641, 642, 643,
 &end
#
#   15 HID  HD2          30 ILE  QD1         5.50    (#   3043:25  Preassigned    4.16, 5.03 A)
 &rst
  ixpk= 3043, nxpk= 25, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#   66 LEU  HN            5 ILE  QD1         7.00    (#   3044:25  Preassigned    5.32, 7.10 A)
 &rst
  ixpk= 3044, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  58,  59,  60,
 &end
#
#   29 ALA  HN            0 AMB  25-1:3045   7.00    (#   3045:25  Single Ambig)
 &rst
  ixpk= 3045, nxpk= 25, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 641, 642, 643,  58,  59,  60,
 &end
#
#    0 AMB  25-3:3047    38 ILE  QD1         5.50    (#   3047:25  Single Ambig)
 &rst
  ixpk= 3047, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 451,  64,
 igr2= 608, 609, 610,
 &end
#
#   12 TRP  HE1          30 ILE  QD1         5.50    (#   3050:25  Preassigned    5.11, 6.27 A)
 &rst
  ixpk= 3050, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 445, 446, 447,
 &end
#
#   65 LEU  HB2           0 AMB  25-1:3051   5.50    (#   3051:25  Single Ambig)
 &rst
  ixpk= 3051, nxpk= 25, iat=1019,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  39,  38,
 &end
#
#   24 LYS  HB3          45 SER  HB2         5.50    (#   3052:25  Preassigned    5.30, 5.56 A)
 &rst
  ixpk= 3052, nxpk= 25, iat= 350, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3053    45 SER  HB2         5.50    (#   3053:25  Single Ambig)
 &rst
  ixpk= 3053, nxpk= 25, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 349, 692, 693,
 &end
#
#    0 AMB  25-3:3054    45 SER  HB3         5.50    (#   3054:25  Single Ambig)
 &rst
  ixpk= 3054, nxpk= 25, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 349, 692, 693,
 &end
#
#   24 LYS  QG           45 SER  HB2         7.00    (#   3055:25  Preassigned    6.61, 7.18 A)
 &rst
  ixpk= 3055, nxpk= 25, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 352, 353,
 &end
#
#    5 ILE  HG1-          0 AMB  25-1:3056   5.50    (#   3056:25  Single Ambig)
 &rst
  ixpk= 3056, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  55,  56,
 igr2=  39,  38,
 &end
#
#   23 GLU  HB2          45 SER  HB3         5.50    (#   3058:25  Preassigned    4.06, 4.22 A)
 &rst
  ixpk= 3058, nxpk= 25, iat= 334, 714, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 GLY  HA+           4 SER  HB2         5.50    (#   3059:25  Preassigned    3.63, 4.77 A)
 &rst
  ixpk= 3059, nxpk= 25, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 982, 983,
 &end
#
#   46 GLY  HA+          45 SER  HB3         5.50    (#   3062:25  Preassigned    4.03, 4.62 A)
 &rst
  ixpk= 3062, nxpk= 25, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 723,
 &end
#
#   21 GLN  HE21         45 SER  HB3         5.50    (#   3063:25  Preassigned    3.17, 3.79 A)
 &rst
  ixpk= 3063, nxpk= 25, iat= 306, 714, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 GLY  HA-          47 ILE  QD1         5.50    (#   3067:25  Preassigned    4.28, 6.40 A)
 &rst
  ixpk= 3067, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 277, 278,
 igr2= 740, 741, 742,
 &end
#
#   47 GLY  HA-          46 ILE  QD1         5.50    (#   3068:25  Preassigned    4.45, 6.48 A)
 &rst
  ixpk= 3068, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 722, 723,
 igr2= 740, 741, 742,
 &end
#
#   47 GLY  HA+          46 ILE  QD1         5.50    (#   3069:25  Preassigned    4.45, 6.48 A)
 &rst
  ixpk= 3069, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 722, 723,
 igr2= 740, 741, 742,
 &end
#
#   19 GLY  HA+          47 ILE  QD1         5.50    (#   3071:25  Preassigned    4.28, 6.40 A)
 &rst
  ixpk= 3071, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 277, 278,
 igr2= 740, 741, 742,
 &end
#
#   21 GLN  HE22         47 ILE  QD1         5.50    (#   3072:25  Preassigned    3.72, 5.76 A)
 &rst
  ixpk= 3072, nxpk= 25, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 &end
#
#   21 GLN  HE21         47 ILE  QD1         5.50    (#   3073:25  Preassigned    3.25, 5.55 A)
 &rst
  ixpk= 3073, nxpk= 25, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 740, 741, 742,
 &end
#
#    0 AMB  25-3:3075    48 VAL  HA          4.50    (#   3075:25  Single Ambig)
 &rst
  ixpk= 3075, nxpk= 25, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   69 LEU  HA           68 SER  QB          5.50    (#   3077:25  Preassigned    4.51, 5.24 A)
 &rst
  ixpk= 3077, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#   38 ILE  HG1-         33 SER  HB2         5.50    (#   3080:25  Preassigned    2.48, 3.49 A)
 &rst
  ixpk= 3080, nxpk= 25, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#    7 MET  QG           33 SER  HB2         5.50    (#   3081:25  Preassigned    4.03, 4.88 A)
 &rst
  ixpk= 3081, nxpk= 25, iat=  -1, 489, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  88,  89,
 &end
#
#    7 MET  QG           33 SER  HB3         5.50    (#   3082:25  Preassigned    3.13, 4.19 A)
 &rst
  ixpk= 3082, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  88,  89,
 &end
#
#   33 GLU  HA           32 SER  HB3         5.50    (#   3083:25  Preassigned    5.53, 5.56 A)
 &rst
  ixpk= 3083, nxpk= 25, iat= 472, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HN           33 SER  HB2         5.50    (#   3084:25  Preassigned    3.52, 3.61 A)
 &rst
  ixpk= 3084, nxpk= 25, iat= 563, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HN           33 SER  HB3         5.50    (#   3085:25  Preassigned    4.10, 4.17 A)
 &rst
  ixpk= 3085, nxpk= 25, iat= 563, 490, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HN           33 SER  HB2         5.50    (#   3086:25  Preassigned    5.51, 5.53 A)
 &rst
  ixpk= 3086, nxpk= 25, iat= 115, 489, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3087    33 SER  HB3         5.50    (#   3087:25  Single Ambig)
 &rst
  ixpk= 3087, nxpk= 25, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 513, 470,
 &end
#
#   15 HID  HB2          14 VAL  HA          5.50    (#   3088:25  Preassigned    4.28, 4.31 A)
 &rst
  ixpk= 3088, nxpk= 25, iat= 214, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HA           51 VAL  HA          7.00    (#   3089:25  Preassigned    5.96, 6.39 A)
 &rst
  ixpk= 3089, nxpk= 25, iat=1055, 801, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    4 SER  HA            3 VAL  HA          5.50    (#   3090:25  Preassigned    4.50, 4.52 A)
 &rst
  ixpk= 3090, nxpk= 25, iat=  36,  20, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 VAL  QG2           3 VAL  HA          3.50    (#   3091:25  Preassigned    2.61, 3.39 A)
 &rst
  ixpk= 3091, nxpk= 25, iat=  -1,  20, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  28,  29,  30,
 &end
#
#   40 ILE  HB           30 ILE  HA          5.50    (#   3092:25  Preassigned    3.83, 3.95 A)
 &rst
  ixpk= 3092, nxpk= 25, iat= 632, 434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 PRO  HB+          30 ILE  HA          5.50    (#   3093:25  Preassigned    4.54, 4.71 A)
 &rst
  ixpk= 3093, nxpk= 25, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 621, 622,
 &end
#
#   28 VAL  QG1          28 VAL  HA          4.50    (#   3094:25  Preassigned    2.38, 3.06 A)
 &rst
  ixpk= 3094, nxpk= 25, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 412, 413, 414,
 &end
#
#    0 AMB  25-3:3095    28 VAL  HA          5.50    (#   3095:25  Single Ambig)
 &rst
  ixpk= 3095, nxpk= 25, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 237, 238, 239,1043,1044,1045,1047,1048,1049,1043,
      1044,1045,1047,1048,1049,
 &end
#
#   28 VAL  QG2          28 VAL  HA          3.50    (#   3096:25  Preassigned    3.77, 3.97 A)
 &rst
  ixpk= 3096, nxpk= 25, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 416, 417, 418,
 &end
#
#   28 VAL  HB           28 VAL  HA          3.50    (#   3097:25  Preassigned    2.47, 2.48 A)
 &rst
  ixpk= 3097, nxpk= 25, iat= 410, 408, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 HID  HB2          28 VAL  HA          5.50    (#   3098:25  Preassigned    2.45, 2.52 A)
 &rst
  ixpk= 3098, nxpk= 25, iat= 214, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HB3          28 VAL  HA          5.50    (#   3099:25  Preassigned    3.91, 3.99 A)
 &rst
  ixpk= 3099, nxpk= 25, iat= 215, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3100    28 VAL  HA          4.50    (#   3100:25  Single Ambig)
 &rst
  ixpk= 3100, nxpk= 25, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 229, 212,
 &end
#
#   15 HID  HD2          28 VAL  HA          5.50    (#   3101:25  Preassigned    3.98, 4.08 A)
 &rst
  ixpk= 3101, nxpk= 25, iat= 223, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  HN           28 VAL  HA          5.50    (#   3102:25  Preassigned    3.56, 3.58 A)
 &rst
  ixpk= 3102, nxpk= 25, iat= 422, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HN           28 VAL  HA          5.50    (#   3103:25  Preassigned    2.97, 2.97 A)
 &rst
  ixpk= 3103, nxpk= 25, iat= 406, 408, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3104     5 ILE  HA          5.50    (#   3104:25  Single Ambig)
 &rst
  ixpk= 3104, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 458,
 &end
#
#    6 GLN  HG+           5 ILE  HA          5.50    (#   3105:25  Preassigned    3.77, 5.15 A)
 &rst
  ixpk= 3105, nxpk= 25, iat=  -1,  47, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  72,
 &end
#
#   63 ASP  HB2          59 VAL  HA          5.50    (#   3107:25  Preassigned    3.62, 3.85 A)
 &rst
  ixpk= 3107, nxpk= 25, iat= 991, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HA           55 GLU  HA          5.50    (#   3108:25  Preassigned    4.82, 5.37 A)
 &rst
  ixpk= 3108, nxpk= 25, iat= 131, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  H2           35 BTL  HA          5.50    (#   3109:25  Preassigned    2.39, 2.56 A)
 &rst
  ixpk= 3109, nxpk= 25, iat= 545, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HN           35 BTL  HA          5.50    (#   3110:25  Preassigned    4.14, 4.26 A)
 &rst
  ixpk= 3110, nxpk= 25, iat= 485, 515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HE21         22 ILE  HA          5.50    (#   3111:25  Preassigned    3.42, 3.87 A)
 &rst
  ixpk= 3111, nxpk= 25, iat= 386, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HG+          35 BTL  HA          4.50    (#   3112:25  Preassigned    2.21, 2.89 A)
 &rst
  ixpk= 3112, nxpk= 25, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 520, 521,
 &end
#
#   34 MET  HN           33 SER  HA          3.50    (#   3113:25  Preassigned    2.23, 2.31 A)
 &rst
  ixpk= 3113, nxpk= 25, iat= 496, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:3114    33 SER  HA          5.50    (#   3114:25  Single Ambig)
 &rst
  ixpk= 3114, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 513, 470,
 &end
#
#   33 SER  HN           33 SER  HA          5.50    (#   3115:25  Preassigned    2.96, 2.98 A)
 &rst
  ixpk= 3115, nxpk= 25, iat= 485, 487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3116    33 SER  HA          5.50    (#   3116:25  Single Ambig)
 &rst
  ixpk= 3116, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 472, 117,
 &end
#
#    9 GLY  HA+          33 SER  HA          4.50    (#   3117:25  Preassigned    2.25, 2.46 A)
 &rst
  ixpk= 3117, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 110, 111,
 &end
#
#   33 SER  HB2          33 SER  HA          4.50    (#   3118:25  Preassigned    3.00, 3.01 A)
 &rst
  ixpk= 3118, nxpk= 25, iat= 489, 487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HB3          33 SER  HA          4.50    (#   3119:25  Preassigned    2.58, 2.64 A)
 &rst
  ixpk= 3119, nxpk= 25, iat= 490, 487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HB2          15 HID  HA          4.50    (#   3121:25  Preassigned    3.05, 3.05 A)
 &rst
  ixpk= 3121, nxpk= 25, iat= 214, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HB3          15 HID  HA          4.50    (#   3122:25  Preassigned    2.45, 2.46 A)
 &rst
  ixpk= 3122, nxpk= 25, iat= 215, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 VAL  HN           15 HID  HA          5.50    (#   3123:25  Preassigned    3.02, 3.06 A)
 &rst
  ixpk= 3123, nxpk= 25, iat= 227, 212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HG-          26 GLN  HA          4.50    (#   3124:25  Preassigned    2.51, 2.80 A)
 &rst
  ixpk= 3124, nxpk= 25, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 381, 382,
 &end
#
#   48 VAL  HA           67 GLU  HA          7.00    (#   3125:25  Preassigned    5.62, 5.81 A)
 &rst
  ixpk= 3125, nxpk= 25, iat= 748,1055, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   38 ILE  QD1          32 GLU  HA          5.50    (#   3126:25  Preassigned    4.10, 6.68 A)
 &rst
  ixpk= 3126, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#    0 AMB  25-3:3127    32 GLU  HA          5.50    (#   3127:25  Single Ambig)
 &rst
  ixpk= 3127, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    0 AMB  25-3:3128    67 GLU  HA          5.50    (#   3128:25  Single Ambig)
 &rst
  ixpk= 3128, nxpk= 25, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   52 LYS  HG+          67 GLU  HA          5.50    (#   3129:25  Preassigned    4.57, 5.18 A)
 &rst
  ixpk= 3129, nxpk= 25, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   67 GLU  HB2          67 GLU  HA          4.50    (#   3130:25  Preassigned    2.43, 2.49 A)
 &rst
  ixpk= 3130, nxpk= 25, iat=1057,1055, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:3131    32 GLU  HA          5.50    (#   3131:25  Single Ambig)
 &rst
  ixpk= 3131, nxpk= 25, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 115, 148,
 &end
#
#    0 AMB  25-3:3132     7 MET  HA          5.50    (#   3132:25  Single Ambig)
 &rst
  ixpk= 3132, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#   44 ARG  HG-          44 ARG  HA          4.50    (#   3133:25  Preassigned    2.76, 3.86 A)
 &rst
  ixpk= 3133, nxpk= 25, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 692, 693,
 &end
#
#    7 MET  HB+           7 MET  HA          3.50    (#   3134:25  Preassigned    2.41, 2.80 A)
 &rst
  ixpk= 3134, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  85,  86,
 &end
#
#   24 LYS  QE           44 ARG  HA          5.50    (#   3135:25  Preassigned    2.29, 4.23 A)
 &rst
  ixpk= 3135, nxpk= 25, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 358, 359,
 &end
#
#   24 LYS  HA           44 ARG  HA          5.50    (#   3136:25  Preassigned    3.00, 3.47 A)
 &rst
  ixpk= 3136, nxpk= 25, iat= 347, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 MET  HG+          36 MET  HA          5.50    (#   3137:25  Preassigned    2.51, 2.86 A)
 &rst
  ixpk= 3137, nxpk= 25, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 570, 571,
 &end
#
#   50 GLU  HN           18 ALA  HA          5.50    (#   3139:25  Preassigned    4.23, 4.38 A)
 &rst
  ixpk= 3139, nxpk= 25, iat= 784, 267, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HD-          13 LYS  HA          5.50    (#   3140:25  Preassigned    4.24, 4.50 A)
 &rst
  ixpk= 3140, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 183,
 &end
#
#   14 VAL  QG2          13 LYS  HA          5.50    (#   3141:25  Preassigned    3.52, 4.57 A)
 &rst
  ixpk= 3141, nxpk= 25, iat=  -1, 174, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 204, 205, 206,
 &end
#
#   54 LYS  QB           54 LYS  HA          2.80    (#   3142:25  Preassigned    2.31, 2.45 A)
 &rst
  ixpk= 3142, nxpk= 25, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 863, 864,
 &end
#
#   48 VAL  QG2          68 LEU  HA          5.50    (#   3143:25  Preassigned    4.58, 5.42 A)
 &rst
  ixpk= 3143, nxpk= 25, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#    0 AMB  25-3:3144    68 LEU  HA          5.50    (#   3144:25  Single Ambig)
 &rst
  ixpk= 3144, nxpk= 25, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   42 VAL  HA           41 ALA  HA          5.50    (#   3145:25  Preassigned    4.32, 4.36 A)
 &rst
  ixpk= 3145, nxpk= 25, iat= 649, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3146     10 ASN  HA          5.50    (#   3146:25  Single Ambig)
 &rst
  ixpk= 3146, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 919, 152,
 &end
#
#   53 LYS  HG-          53 LYS  HA          5.50    (#   3147:25  Preassigned    3.06, 3.49 A)
 &rst
  ixpk= 3147, nxpk= 25, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 844, 845,
 &end
#
#   53 LYS  HB2          53 LYS  HA          5.50    (#   3148:25  Preassigned    3.04, 3.05 A)
 &rst
  ixpk= 3148, nxpk= 25, iat= 841, 839, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HG+          53 LYS  HA          5.50    (#   3149:25  Preassigned    3.06, 3.49 A)
 &rst
  ixpk= 3149, nxpk= 25, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 844, 845,
 &end
#
#   53 LYS  HD+          53 LYS  HA          5.50    (#   3150:25  Preassigned    2.22, 2.79 A)
 &rst
  ixpk= 3150, nxpk= 25, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#    0 AMB  25-3:3151    53 LYS  HA          5.50    (#   3151:25  Single Ambig)
 &rst
  ixpk= 3151, nxpk= 25, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 941, 942, 943, 204, 205, 206,
 &end
#
#   53 LYS  HB3          53 LYS  HA          4.50    (#   3152:25  Preassigned    2.50, 2.51 A)
 &rst
  ixpk= 3152, nxpk= 25, iat= 842, 839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HD-          53 LYS  HA          4.50    (#   3153:25  Preassigned    2.22, 2.79 A)
 &rst
  ixpk= 3153, nxpk= 25, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 847, 848,
 &end
#
#   53 LYS  QE           53 LYS  HA          5.50    (#   3154:25  Preassigned    4.27, 4.72 A)
 &rst
  ixpk= 3154, nxpk= 25, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#   53 LYS  HN           53 LYS  HA          5.50    (#   3155:25  Preassigned    2.93, 2.95 A)
 &rst
  ixpk= 3155, nxpk= 25, iat= 837, 839, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 LYS  HN           53 LYS  HA          3.50    (#   3156:25  Preassigned    2.58, 2.63 A)
 &rst
  ixpk= 3156, nxpk= 25, iat= 859, 839, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LEU  HB3           10 ASN  HA          7.00    (#   3157:25  Preassigned    4.69, 4.83 A)
 &rst
  ixpk= 3157, nxpk= 25, iat= 134, 117, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:3158     10 ASN  HA          5.50    (#   3158:25  Single Ambig)
 &rst
  ixpk= 3158, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 920, 153,
 &end
#
#   32 GLU  HN            10 ASN  HA          5.50    (#   3159:25  Preassigned    4.94, 4.98 A)
 &rst
  ixpk= 3159, nxpk= 25, iat= 470, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HA           39 PRO  HD-         5.50    (#   3160:25  Preassigned    5.80, 6.27 A)
 &rst
  ixpk= 3160, nxpk= 25, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 615, 616,
 &end
#
#    0 AMB  25-3:3161    39 PRO  HD-         5.50    (#   3161:25  Single Ambig)
 &rst
  ixpk= 3161, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 582, 434,
 igr2= 615, 616,
 &end
#
#   16 VAL  HN           29 ALA  HA          5.50    (#   3162:25  Preassigned    5.31, 5.35 A)
 &rst
  ixpk= 3162, nxpk= 25, iat= 227, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HB-          60 ASN  HA          4.50    (#   3163:25  Preassigned    2.85, 2.89 A)
 &rst
  ixpk= 3163, nxpk= 25, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 955, 956,
 &end
#
#   60 ASN  HB+          60 ASN  HA          4.50    (#   3164:25  Preassigned    2.85, 2.89 A)
 &rst
  ixpk= 3164, nxpk= 25, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 955, 956,
 &end
#
#    0 AMB  25-3:3165    60 ASN  HA          5.50    (#   3165:25  Single Ambig)
 &rst
  ixpk= 3165, nxpk= 25, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937,  83,
 &end
#
#    0 AMB  25-3:3167    60 ASN  HA          5.50    (#   3167:25  Single Ambig)
 &rst
  ixpk= 3167, nxpk= 25, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  81, 925, 929,
 &end
#
#    0 AMB  25-3:3168    60 ASN  HA          3.50    (#   3168:25  Single Ambig)
 &rst
  ixpk= 3168, nxpk= 25, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 965, 951,
 &end
#
#    8 ALA  QB           60 ASN  HA          4.50    (#   3169:25  Preassigned    3.77, 4.30 A)
 &rst
  ixpk= 3169, nxpk= 25, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 102, 103, 104,
 &end
#
#   60 VAL  QG2          59 ASN  HA          5.50    (#   3170:25  Preassigned    4.19, 5.36 A)
 &rst
  ixpk= 3170, nxpk= 25, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 945, 946, 947,
 &end
#
#   59 VAL  HN            8 ALA  HA          5.50    (#   3171:25  Preassigned    5.10, 5.14 A)
 &rst
  ixpk= 3171, nxpk= 25, iat= 935, 100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HD            9 GLY  HA+         5.50    (#   3173:25  Preassigned    5.06, 7.10 A)
 &rst
  ixpk= 3173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 923, 931,
 igr2= 110, 111,
 &end
#
#   58 PHE  HD            9 GLY  HA-         5.50    (#   3174:25  Preassigned    5.06, 7.10 A)
 &rst
  ixpk= 3174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 923, 931,
 igr2= 110, 111,
 &end
#
#    0 AMB  25-3:3175     9 GLY  HA-         5.50    (#   3175:25  Single Ambig)
 &rst
  ixpk= 3175, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 117, 472,
 igr2= 110, 111,
 &end
#
#   33 SER  HB3           9 GLY  HA+         5.50    (#   3178:25  Preassigned    4.21, 4.39 A)
 &rst
  ixpk= 3178, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    10 ASN  HB2           9 GLY  HA-         5.50    (#   3179:25  Preassigned    4.49, 4.72 A)
 &rst
  ixpk= 3179, nxpk= 25, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    0 AMB  25-3:3180    46 GLY  HA-         5.50    (#   3180:25  Single Ambig)
 &rst
  ixpk= 3180, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 737, 738, 321, 322,
 igr2= 722, 723,
 &end
#
#    0 AMB  25-3:3181    46 GLY  HA-         5.50    (#   3181:25  Single Ambig)
 &rst
  ixpk= 3181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 737, 738, 321, 322,
 igr2= 722, 723,
 &end
#
#    0 AMB  25-3:3182     0 AMB  25-1:3182   5.50    (#   3182:25  Double Ambig)
 &rst
  ixpk= 3182, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 737, 738, 321, 322,
 igr2= 722, 723, 722, 723,
 &end
#
#    0 AMB  25-3:3183     0 AMB  25-1:3183   5.50    (#   3183:25  Double Ambig)
 &rst
  ixpk= 3183, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 740, 741, 742, 608, 609, 610,
 igr2= 722, 723, 110, 111,
 &end
#
#   25 LYS  QG           24 GLY  HA+         5.50    (#   3184:25  Preassigned    3.63, 4.43 A)
 &rst
  ixpk= 3184, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 352, 353,
 igr2= 369, 370,
 &end
#
#   62 GLU  HG-          61 GLY  HA+         5.50    (#   3185:25  Preassigned    3.71, 4.61 A)
 &rst
  ixpk= 3185, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 972, 973,
 igr2= 982, 983,
 &end
#
#   62 GLU  HG-          61 GLY  HA+         5.50    (#   3186:25  Preassigned    3.71, 4.61 A)
 &rst
  ixpk= 3186, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 972, 973,
 igr2= 982, 983,
 &end
#
#    0 AMB  25-3:3187     0 AMB  25-1:3187   5.50    (#   3187:25  Double Ambig)
 &rst
  ixpk= 3187, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 350, 731, 355, 356,
 igr2= 369, 370, 277, 278,
 &end
#
#   48 VAL  HB           19 GLY  HA-         5.50    (#   3188:25  Preassigned    4.29, 4.86 A)
 &rst
  ixpk= 3188, nxpk= 25, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 277, 278,
 &end
#
#    0 AMB  25-3:3189    25 GLY  HA-         5.50    (#   3189:25  Single Ambig)
 &rst
  ixpk= 3189, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 663, 647,
 igr2= 369, 370,
 &end
#
#    4 SER  HN           62 GLY  HA-         7.00    (#   3190:25  Preassigned    6.20, 7.32 A)
 &rst
  ixpk= 3190, nxpk= 25, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 982, 983,
 &end
#
#    3 VAL  HB           66 LEU  HB+         4.50    (#   3191:25  Preassigned    2.05, 2.72 A)
 &rst
  ixpk= 3191, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1038,1039,
 &end
#
#   52 LYS  HN           66 LEU  HB+         5.50    (#   3192:25  Preassigned    4.64, 5.28 A)
 &rst
  ixpk= 3192, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#   52 LYS  HN           66 LEU  HB-         5.50    (#   3193:25  Preassigned    4.64, 5.28 A)
 &rst
  ixpk= 3193, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1038,1039,
 &end
#
#   48 VAL  HA           68 LEU  HB2         5.50    (#   3194:25  Preassigned    4.80, 4.94 A)
 &rst
  ixpk= 3194, nxpk= 25, iat= 748,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  QB           68 LEU  HB2         5.50    (#   3195:25  Preassigned    5.52, 6.19 A)
 &rst
  ixpk= 3195, nxpk= 25, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1091,1092,
 &end
#
#   46 GLY  HA-          68 LEU  HB2         5.50    (#   3196:25  Preassigned    3.80, 5.04 A)
 &rst
  ixpk= 3196, nxpk= 25, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 723,
 &end
#
#   48 VAL  HA           68 LEU  HB3         5.50    (#   3197:25  Preassigned    3.53, 3.75 A)
 &rst
  ixpk= 3197, nxpk= 25, iat= 748,1073, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  QB           68 LEU  HB3         5.50    (#   3198:25  Preassigned    4.65, 5.43 A)
 &rst
  ixpk= 3198, nxpk= 25, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1091,1092,
 &end
#
#   46 GLY  HA+          68 LEU  HB3         5.50    (#   3199:25  Preassigned    2.81, 3.84 A)
 &rst
  ixpk= 3199, nxpk= 25, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 723,
 &end
#
#   69 SER  HA           68 LEU  HB2         5.50    (#   3200:25  Preassigned    4.37, 4.97 A)
 &rst
  ixpk= 3200, nxpk= 25, iat=1089,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  HA           68 LEU  HB2         5.50    (#   3201:25  Preassigned    4.80, 4.94 A)
 &rst
  ixpk= 3201, nxpk= 25, iat= 748,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 GLY  HA+          68 LEU  HB2         5.50    (#   3202:25  Preassigned    3.80, 5.04 A)
 &rst
  ixpk= 3202, nxpk= 25, iat=  -1,1072, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 723,
 &end
#
#   68 LEU  QD2          68 LEU  HB3         5.50    (#   3204:25  Preassigned    2.56, 3.21 A)
 &rst
  ixpk= 3204, nxpk= 25, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1081,1082,1083,
 &end
#
#   68 GLU  HA           67 LEU  HB3         5.50    (#   3206:25  Preassigned    5.46, 5.51 A)
 &rst
  ixpk= 3206, nxpk= 25, iat=1055,1073, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  QB           17 LYS  QE          5.50    (#   3211:25  Preassigned    2.11, 3.24 A)
 &rst
  ixpk= 3211, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 247, 248,
 igr2= 256, 257,
 &end
#
#   53 LYS  HB3          53 LYS  QE          5.50    (#   3212:25  Preassigned    4.18, 4.50 A)
 &rst
  ixpk= 3212, nxpk= 25, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 850, 851,
 &end
#
#    0 AMB  25-3:3213     0 AMB  25-1:3213   5.50    (#   3213:25  Double Ambig)
 &rst
  ixpk= 3213, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 520, 521, 540,
 igr2= 526, 527, 526, 527,
 &end
#
#   35 BTL  HA           35 BTL  HE-         5.50    (#   3215:25  Preassigned    3.98, 5.58 A)
 &rst
  ixpk= 3215, nxpk= 25, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#    0 AMB  25-3:3218     0 AMB  25-1:3218   5.50    (#   3218:25  Double Ambig)
 &rst
  ixpk= 3218, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 174, 434,
 igr2= 185, 186, 185, 186,
 &end
#
#   13 TRP  HD1          12 LYS  HE+         5.50    (#   3219:25  Preassigned    3.85, 4.88 A)
 &rst
  ixpk= 3219, nxpk= 25, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   13 TRP  HE1          12 LYS  HE+         5.50    (#   3220:25  Preassigned    3.21, 4.39 A)
 &rst
  ixpk= 3220, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   13 TRP  HE1          12 LYS  HE-         5.50    (#   3221:25  Preassigned    3.21, 4.39 A)
 &rst
  ixpk= 3221, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   69 SER  QB           49 LYS  QE          7.00    (#   3223:25  Preassigned    4.15, 6.58 A)
 &rst
  ixpk= 3223, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1091,1092,
 igr2= 775, 776,
 &end
#
#   53 LYS  HD-          57 ASP  HB2         5.50    (#   3224:25  Preassigned    3.60, 4.46 A)
 &rst
  ixpk= 3224, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#   32 GLU  HN            10 ASN  HB3         5.50    (#   3225:25  Preassigned    4.82, 4.88 A)
 &rst
  ixpk= 3225, nxpk= 25, iat= 470, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 PRO  HD-          38 ILE  HB          5.50    (#   3226:25  Preassigned    4.32, 4.77 A)
 &rst
  ixpk= 3226, nxpk= 25, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 615, 616,
 &end
#
#   43 ALA  HA           42 ASP  HB3         5.50    (#   3227:25  Preassigned    4.45, 4.60 A)
 &rst
  ixpk= 3227, nxpk= 25, iat= 665, 678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HN           43 ASP  HB3         5.50    (#   3228:25  Preassigned    2.95, 3.22 A)
 &rst
  ixpk= 3228, nxpk= 25, iat= 685, 678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3229    43 ASP  HB2         5.50    (#   3229:25  Single Ambig)
 &rst
  ixpk= 3229, nxpk= 25, iat=  -1, 677, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 685,  76,
 &end
#
#    0 AMB  25-3:3230    43 ASP  HB2         5.50    (#   3230:25  Single Ambig)
 &rst
  ixpk= 3230, nxpk= 25, iat=  -1, 677, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 685,  76,
 &end
#
#   44 ARG  HN           43 ASP  HB3         5.50    (#   3231:25  Preassigned    2.95, 3.22 A)
 &rst
  ixpk= 3231, nxpk= 25, iat= 685, 678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 ASP  HA           57 PHE  HB3         5.50    (#   3232:25  Preassigned    4.60, 4.71 A)
 &rst
  ixpk= 3232, nxpk= 25, iat= 905, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HA           58 PHE  HB3         5.50    (#   3233:25  Preassigned    5.46, 5.52 A)
 &rst
  ixpk= 3233, nxpk= 25, iat= 117, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HE           58 PHE  HB3         5.50    (#   3234:25  Preassigned    4.68, 5.11 A)
 &rst
  ixpk= 3234, nxpk= 25, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 925, 929,
 &end
#
#   47 GLY  HA-          46 ILE  HB          5.50    (#   3235:25  Preassigned    4.63, 4.94 A)
 &rst
  ixpk= 3235, nxpk= 25, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 723,
 &end
#
#   47 GLY  HA+          46 ILE  HB          5.50    (#   3236:25  Preassigned    4.63, 4.94 A)
 &rst
  ixpk= 3236, nxpk= 25, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 723,
 &end
#
#   30 ILE  HG1+         27 GLU  HG-         5.50    (#   3237:25  Preassigned    3.38, 3.84 A)
 &rst
  ixpk= 3237, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 442, 443,
 igr2= 398, 399,
 &end
#
#   40 ILE  HN           27 GLU  HG-         5.50    (#   3238:25  Preassigned    3.08, 3.88 A)
 &rst
  ixpk= 3238, nxpk= 25, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 398, 399,
 &end
#
#   31 LEU  HN           27 GLU  HG+         7.00    (#   3239:25  Preassigned    6.90, 7.43 A)
 &rst
  ixpk= 3239, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 398, 399,
 &end
#
#    7 MET  HN            5 ILE  HB          5.50    (#   3240:25  Preassigned    4.10, 4.17 A)
 &rst
  ixpk= 3240, nxpk= 25, iat=  81,  49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  QE           53 LYS  HB2         5.50    (#   3242:25  Preassigned    4.45, 4.83 A)
 &rst
  ixpk= 3242, nxpk= 25, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#   14 VAL  HA           13 LYS  HB2         5.50    (#   3243:25  Preassigned    4.76, 4.81 A)
 &rst
  ixpk= 3243, nxpk= 25, iat= 196, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HA           13 LYS  HB3         5.50    (#   3244:25  Preassigned    4.30, 4.38 A)
 &rst
  ixpk= 3244, nxpk= 25, iat= 196, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HA           53 LYS  HB2         5.50    (#   3245:25  Preassigned    2.81, 3.31 A)
 &rst
  ixpk= 3245, nxpk= 25, iat=1017, 841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 TRP  HD1          12 LYS  HB2         5.50    (#   3246:25  Preassigned    4.42, 4.60 A)
 &rst
  ixpk= 3246, nxpk= 25, iat= 156, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  HD+          53 LYS  HB3         3.50    (#   3247:25  Preassigned    2.37, 2.71 A)
 &rst
  ixpk= 3247, nxpk= 25, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 847, 848,
 &end
#
#   40 ILE  HG1+         40 ILE  HB          3.50    (#   3248:25  Preassigned    2.41, 2.53 A)
 &rst
  ixpk= 3248, nxpk= 25, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 638, 639,
 &end
#
#   12 TRP  HA           55 GLU  HG-         5.50    (#   3249:25  Preassigned    5.74, 6.21 A)
 &rst
  ixpk= 3249, nxpk= 25, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#   35 BTL  HN3          37 GLU  HG-         5.50    (#   3250:25  Preassigned    2.56, 4.85 A)
 &rst
  ixpk= 3250, nxpk= 25, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#   28 VAL  HN           40 ILE  HB          5.50    (#   3251:25  Preassigned    3.96, 4.05 A)
 &rst
  ixpk= 3251, nxpk= 25, iat= 406, 632, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLY  HN           55 GLU  HG-         5.50    (#   3252:25  Preassigned    4.02, 4.84 A)
 &rst
  ixpk= 3252, nxpk= 25, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#   56 GLY  HN           55 GLU  HG+         5.50    (#   3253:25  Preassigned    4.02, 4.84 A)
 &rst
  ixpk= 3253, nxpk= 25, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 888, 889,
 &end
#
#    0 AMB  25-3:3254    32 GLU  HG-         5.50    (#   3254:25  Single Ambig)
 &rst
  ixpk= 3254, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 551, 119,
 igr2= 477, 478,
 &end
#
#   17 VAL  HA           16 LYS  QB          5.50    (#   3255:25  Preassigned    4.40, 5.17 A)
 &rst
  ixpk= 3255, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 247, 248,
 &end
#
#   50 GLU  HN           50 GLU  HG-         5.50    (#   3256:25  Preassigned    4.52, 4.75 A)
 &rst
  ixpk= 3256, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 792,
 &end
#
#   62 GLY  HA-          61 GLU  HG+         5.50    (#   3258:25  Preassigned    3.71, 4.61 A)
 &rst
  ixpk= 3258, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 982, 983,
 igr2= 972, 973,
 &end
#
#   62 GLY  HA-          61 GLU  HG-         5.50    (#   3259:25  Preassigned    3.71, 4.61 A)
 &rst
  ixpk= 3259, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 982, 983,
 igr2= 972, 973,
 &end
#
#   23 ILE  HA           22 GLU  HG+         5.50    (#   3260:25  Preassigned    6.07, 6.22 A)
 &rst
  ixpk= 3260, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 337, 338,
 &end
#
#   23 ILE  HA           22 GLU  HG-         5.50    (#   3261:25  Preassigned    6.07, 6.22 A)
 &rst
  ixpk= 3261, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 337, 338,
 &end
#
#   68 LEU  HA           67 GLU  HG-         5.50    (#   3262:25  Preassigned    4.21, 5.07 A)
 &rst
  ixpk= 3262, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1060,1061,
 &end
#
#    7 MET  HN           61 GLU  HG+         5.50    (#   3263:25  Preassigned    4.26, 5.08 A)
 &rst
  ixpk= 3263, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 972, 973,
 &end
#
#   20 ASP  HN           16 VAL  HB          5.50    (#   3264:25  Preassigned    5.06, 5.38 A)
 &rst
  ixpk= 3264, nxpk= 25, iat= 282, 231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3265    50 GLU  HB3         5.50    (#   3265:25  Single Ambig)
 &rst
  ixpk= 3265, nxpk= 25, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 801, 817,
 &end
#
#   22 ILE  HA           21 GLN  HG-         5.50    (#   3266:25  Preassigned    3.49, 4.62 A)
 &rst
  ixpk= 3266, nxpk= 25, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#   21 GLN  HE22         21 GLN  HG+         5.50    (#   3267:25  Preassigned    2.17, 2.98 A)
 &rst
  ixpk= 3267, nxpk= 25, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#    3 VAL  QG2           3 VAL  HB          2.80    (#   3268:25  Preassigned    2.44, 2.66 A)
 &rst
  ixpk= 3268, nxpk= 25, iat=  -1,  22, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  28,  29,  30,
 &end
#
#   49 LYS  QE           49 LYS  HB2         5.50    (#   3269:25  Preassigned    2.11, 3.95 A)
 &rst
  ixpk= 3269, nxpk= 25, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 775, 776,
 &end
#
#   69 SER  HN           49 LYS  HB3         5.50    (#   3271:25  Preassigned    3.85, 4.16 A)
 &rst
  ixpk= 3271, nxpk= 25, iat=1087, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 LEU  HA           49 LYS  HB3         5.50    (#   3272:25  Preassigned    3.11, 3.38 A)
 &rst
  ixpk= 3272, nxpk= 25, iat=1070, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 VAL  HA           48 LYS  HB3         5.50    (#   3273:25  Preassigned    4.37, 4.61 A)
 &rst
  ixpk= 3273, nxpk= 25, iat= 748, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  QE           49 LYS  HB3         5.50    (#   3274:25  Preassigned    2.58, 4.15 A)
 &rst
  ixpk= 3274, nxpk= 25, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 775, 776,
 &end
#
#   53 LYS  HN           52 LYS  HB3         5.50    (#   3275:25  Preassigned    4.12, 4.34 A)
 &rst
  ixpk= 3275, nxpk= 25, iat= 837, 820, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HE+          67 GLU  HB3         5.50    (#   3276:25  Preassigned    2.24, 3.80 A)
 &rst
  ixpk= 3276, nxpk= 25, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 828, 829,
 &end
#
#   24 LYS  QE           24 LYS  HB3         5.50    (#   3277:25  Preassigned    3.01, 4.27 A)
 &rst
  ixpk= 3277, nxpk= 25, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 358, 359,
 &end
#
#   24 LYS  QE           24 LYS  HB2         5.50    (#   3278:25  Preassigned    2.17, 3.97 A)
 &rst
  ixpk= 3278, nxpk= 25, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 358, 359,
 &end
#
#    0 AMB  25-3:3279     0 AMB  25-1:3279   5.50    (#   3279:25  Double Ambig)
 &rst
  ixpk= 3279, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1036,1070,
 igr2=1057, 820,
 &end
#
#    0 AMB  25-3:3281    36 MET  HG-         5.50    (#   3281:25  Single Ambig)
 &rst
  ixpk= 3281, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 520, 521, 605, 606,
 igr2= 570, 571,
 &end
#
#   36 MET  HN            0 AMB  25-1:3283   5.50    (#   3283:25  Single Ambig)
 &rst
  ixpk= 3283, nxpk= 25, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 523, 524, 474,
 &end
#
#    10 ASN  HD21         32 GLU  HB3         5.50    (#   3285:25  Preassigned    3.84, 3.85 A)
 &rst
  ixpk= 3285, nxpk= 25, iat= 124, 475, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3286    12 TRP  HB2         5.50    (#   3286:25  Single Ambig)
 &rst
  ixpk= 3286, nxpk= 25, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 477, 478, 185, 186,
 &end
#
#   32 GLU  HB3          12 TRP  HB3         5.50    (#   3287:25  Preassigned    4.11, 4.28 A)
 &rst
  ixpk= 3287, nxpk= 25, iat= 475, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 LEU  HA           11 TRP  HB2         5.50    (#   3288:25  Preassigned    4.61, 4.68 A)
 &rst
  ixpk= 3288, nxpk= 25, iat= 131, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 LEU  HA           11 TRP  HB3         5.50    (#   3289:25  Preassigned    4.19, 4.29 A)
 &rst
  ixpk= 3289, nxpk= 25, iat= 131, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HN           12 TRP  HB3         5.50    (#   3290:25  Preassigned    3.10, 3.26 A)
 &rst
  ixpk= 3290, nxpk= 25, iat= 470, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HB3          12 TRP  HB3         5.50    (#   3291:25  Preassigned    4.11, 4.28 A)
 &rst
  ixpk= 3291, nxpk= 25, iat= 475, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3292    12 TRP  HB2         5.50    (#   3292:25  Single Ambig)
 &rst
  ixpk= 3292, nxpk= 25, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 559, 120, 545,
 &end
#
#   22 ILE  HA           26 GLN  HB3         5.50    (#   3294:25  Preassigned    3.58, 4.04 A)
 &rst
  ixpk= 3294, nxpk= 25, iat= 313, 379, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HA           26 GLN  HB2         5.50    (#   3295:25  Preassigned    4.09, 4.37 A)
 &rst
  ixpk= 3295, nxpk= 25, iat= 313, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HN            6 GLN  HB2         5.50    (#   3297:25  Preassigned    4.41, 4.48 A)
 &rst
  ixpk= 3297, nxpk= 25, iat=  81,  68, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HN           13 LYS  HD-         5.50    (#   3298:25  Preassigned    4.51, 5.26 A)
 &rst
  ixpk= 3298, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#   13 TRP  HE1          12 LYS  HD+         5.50    (#   3299:25  Preassigned    2.68, 4.31 A)
 &rst
  ixpk= 3299, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 182, 183,
 &end
#
#    0 AMB  25-3:3300    39 PRO  HG-         5.50    (#   3300:25  Single Ambig)
 &rst
  ixpk= 3300, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 438, 439, 440, 442, 443,
 igr2= 618, 619,
 &end
#
#   30 ILE  HA           39 PRO  HG+         5.50    (#   3302:25  Unique         6.00, 6.24 A)
 &rst
  ixpk= 3302, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 618, 619,
 &end
#
#   30 ILE  HA           39 PRO  HG-         5.50    (#   3303:25  Unique         6.00, 6.24 A)
 &rst
  ixpk= 3303, nxpk= 25, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 618, 619,
 &end
#
#    0 AMB  25-3:3304    39 PRO  HG-         5.50    (#   3304:25  Single Ambig)
 &rst
  ixpk= 3304, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 628, 647,
 igr2= 618, 619,
 &end
#
#   69 SER  QB           47 ILE  HG1-        5.50    (#   3305:25  Preassigned    3.68, 5.54 A)
 &rst
  ixpk= 3305, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1091,1092,
 igr2= 737, 738,
 &end
#
#    5 SER  HA            4 ILE  HG1-        5.50    (#   3306:25  Preassigned    3.40, 4.40 A)
 &rst
  ixpk= 3306, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  55,  56,
 &end
#
#    0 AMB  25-3:3307    47 ILE  HG1-        5.50    (#   3307:25  Single Ambig)
 &rst
  ixpk= 3307, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 311, 746,
 igr2= 737, 738,
 &end
#
#    0 AMB  25-3:3308     0 AMB  25-1:3308   5.50    (#   3308:25  Double Ambig)
 &rst
  ixpk= 3308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  64, 451,
 igr2=  55,  56, 442, 443,
 &end
#
#   66 LEU  HA           52 LYS  QD          5.50    (#   3310:25  Preassigned    4.28, 5.35 A)
 &rst
  ixpk= 3310, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 825, 826,
 &end
#
#    0 AMB  25-3:3311     0 AMB  25-1:3311   5.50    (#   3311:25  Double Ambig)
 &rst
  ixpk= 3311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1034, 172,
 igr2=1022, 442, 443,
 &end
#
#   39 PRO  HD+          38 ILE  HG1-        5.50    (#   3312:25  Preassigned    4.52, 5.36 A)
 &rst
  ixpk= 3312, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 615, 616,
 igr2= 605, 606,
 &end
#
#    0 AMB  25-3:3313     0 AMB  25-1:3313   5.50    (#   3313:25  Double Ambig)
 &rst
  ixpk= 3313, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 615, 616, 424,
 igr2= 605, 606,1022,
 &end
#
#    0 AMB  25-3:3314     0 AMB  25-1:3314   5.50    (#   3314:25  Double Ambig)
 &rst
  ixpk= 3314, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 615, 616,1001,
 igr2= 605, 606,1022,
 &end
#
#   33 SER  HB2          38 ILE  HG1-        5.50    (#   3315:25  Preassigned    2.48, 3.49 A)
 &rst
  ixpk= 3315, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   38 GLU  HA           37 ILE  HG1+        5.50    (#   3316:25  Preassigned    3.35, 4.21 A)
 &rst
  ixpk= 3316, nxpk= 25, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   38 GLU  HA           37 ILE  HG1-        5.50    (#   3318:25  Preassigned    3.35, 4.21 A)
 &rst
  ixpk= 3318, nxpk= 25, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   33 SER  HN           38 ILE  HG1+        5.50    (#   3319:25  Preassigned    4.01, 5.20 A)
 &rst
  ixpk= 3319, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   33 SER  HN           38 ILE  HG1-        5.50    (#   3320:25  Preassigned    4.01, 5.20 A)
 &rst
  ixpk= 3320, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   66 LEU  HG           65 LEU  QD+         4.50    (#   3321:25  Preassigned    2.60, 4.89 A)
 &rst
  ixpk= 3321, nxpk= 25, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   66 LEU  HB+          66 LEU  QD+         4.50    (#   3322:25  Preassigned    2.31, 3.27 A)
 &rst
  ixpk= 3322, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1038,1039,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#    3 VAL  HB           66 LEU  QD+         5.50    (#   3323:25  Preassigned    2.66, 4.74 A)
 &rst
  ixpk= 3323, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#    0 AMB  25-3:3324     0 AMB  25-1:3324   5.50    (#   3324:25  Double Ambig)
 &rst
  ixpk= 3324, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 410, 231,
 igr2=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   29 ALA  HA           65 LEU  QD-         5.50    (#   3325:25  Preassigned    4.81, 6.06 A)
 &rst
  ixpk= 3325, nxpk= 25, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#    0 AMB  25-3:3326    65 LEU  QD-         5.50    (#   3326:25  Single Ambig)
 &rst
  ixpk= 3326, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  47, 196,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   66 LEU  HN           66 LEU  QD+         5.50    (#   3328:25  Preassigned    4.18, 5.32 A)
 &rst
  ixpk= 3328, nxpk= 25, iat=1034,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   51 VAL  HN           66 LEU  QD+         5.50    (#   3330:25  Unique         4.34, 6.85 A)
 &rst
  ixpk= 3330, nxpk= 25, iat= 799,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   28 VAL  HN           65 LEU  QD-         5.50    (#   3331:25  Preassigned    5.00, 6.80 A)
 &rst
  ixpk= 3331, nxpk= 25, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1024,1025,1026,1028,1029,1030,
 &end
#
#   40 PRO  HA           39 ILE  HG1-        5.50    (#   3332:25  Preassigned    3.43, 4.39 A)
 &rst
  ixpk= 3332, nxpk= 25, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 638, 639,
 &end
#
#    3 VAL  HA           66 LEU  QD-         5.50    (#   3333:25  Preassigned    5.45, 7.45 A)
 &rst
  ixpk= 3333, nxpk= 25, iat=  20,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#    8 ALA  HN           31 LEU  QD-         5.50    (#   3334:25  Preassigned    4.81, 6.46 A)
 &rst
  ixpk= 3334, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 460, 461, 462, 464, 465, 466,
 &end
#
#    0 AMB  25-3:3335    68 LEU  QD1         4.50    (#   3335:25  Single Ambig)
 &rst
  ixpk= 3335, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1038,1039, 667, 668, 669,
 igr2=1077,1078,1079,
 &end
#
#    0 AMB  25-3:3336    66 LEU  QD-         5.50    (#   3336:25  Single Ambig)
 &rst
  ixpk= 3336, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 822, 823, 321, 322,1019,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   51 VAL  QG1          66 LEU  QD-         5.50    (#   3337:25  Preassigned    2.33, 5.22 A)
 &rst
  ixpk= 3337, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 805, 806, 807,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   43 ASP  HN           68 LEU  QD1         5.50    (#   3340:25  Preassigned    4.90, 6.20 A)
 &rst
  ixpk= 3340, nxpk= 25, iat= 673,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1077,1078,1079,
 &end
#
#   67 GLU  HN           66 LEU  QD-         5.50    (#   3342:25  Preassigned    2.56, 4.68 A)
 &rst
  ixpk= 3342, nxpk= 25, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#    0 AMB  25-3:3343    22 ILE  HG1-        5.50    (#   3343:25  Single Ambig)
 &rst
  ixpk= 3343, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 722, 723, 714,
 igr2= 321, 322,
 &end
#
#   53 LYS  HN           11 LEU  QD+         5.50    (#   3344:25  Preassigned    4.76, 6.50 A)
 &rst
  ixpk= 3344, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  25-3:3345     0 AMB  25-1:3345   5.50    (#   3345:25  Double Ambig)
 &rst
  ixpk= 3345, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 839,1055,
 igr2= 138, 139, 140, 142, 143, 144,1077,1078,1079,
 &end
#
#    0 AMB  25-3:3347     0 AMB  25-1:3347   5.50    (#   3347:25  Double Ambig)
 &rst
  ixpk= 3347, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1060,1061, 337, 338,
 igr2= 822, 823, 352, 353,
 &end
#
#   53 LYS  HD+          53 LYS  HG-         3.50    (#   3351:25  Preassigned    2.42, 2.77 A)
 &rst
  ixpk= 3351, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 847, 848,
 igr2= 844, 845,
 &end
#
#   13 TRP  HD1          12 LYS  HG-         5.50    (#   3352:25  Preassigned    2.38, 2.92 A)
 &rst
  ixpk= 3352, nxpk= 25, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 LYS  HN           13 LYS  HG+         5.50    (#   3353:25  Preassigned    3.50, 3.92 A)
 &rst
  ixpk= 3353, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 LYS  HN           13 LYS  HG-         5.50    (#   3354:25  Preassigned    3.50, 3.92 A)
 &rst
  ixpk= 3354, nxpk= 25, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   14 VAL  HN           13 LYS  HG+         5.50    (#   3355:25  Preassigned    3.67, 4.37 A)
 &rst
  ixpk= 3355, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   14 VAL  HN           13 LYS  HG-         5.50    (#   3356:25  Preassigned    3.67, 4.37 A)
 &rst
  ixpk= 3356, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 TRP  HE1          12 LYS  HG+         5.50    (#   3357:25  Preassigned    3.16, 3.85 A)
 &rst
  ixpk= 3357, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   13 TRP  HE1          12 LYS  HG-         5.50    (#   3358:25  Preassigned    3.16, 3.85 A)
 &rst
  ixpk= 3358, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   53 LYS  HB3          59 VAL  QG1         5.50    (#   3362:25  Preassigned    3.44, 3.84 A)
 &rst
  ixpk= 3362, nxpk= 25, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#   50 GLU  HA           48 VAL  QG1         5.50    (#   3363:25  Preassigned    3.21, 4.18 A)
 &rst
  ixpk= 3363, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 752, 753, 754,
 &end
#
#   14 VAL  HN           29 ALA  QB          5.50    (#   3364:25  Preassigned    5.27, 5.96 A)
 &rst
  ixpk= 3364, nxpk= 25, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#   31 LEU  HN           29 ALA  QB          5.50    (#   3365:25  Preassigned    5.24, 6.14 A)
 &rst
  ixpk= 3365, nxpk= 25, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 426, 427, 428,
 &end
#
#    3 VAL  HB            3 VAL  QG1         3.50    (#   3367:25  Preassigned    2.40, 2.65 A)
 &rst
  ixpk= 3367, nxpk= 25, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  24,  25,  26,
 &end
#
#   72 SER  HA           71 THR  QG2         7.00    (#   3368:25  Preassigned    3.98, 5.67 A)
 &rst
  ixpk= 3368, nxpk= 25, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1129,1130,1131,
 &end
#
#    0 AMB  25-3:3369    16 VAL  QG1         7.00    (#   3369:25  Single Ambig)
 &rst
  ixpk= 3369, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 746, 311,
 igr2= 233, 234, 235,
 &end
#
#   65 LEU  HN           64 VAL  QG2         5.50    (#   3370:25  Preassigned    4.13, 4.73 A)
 &rst
  ixpk= 3370, nxpk= 25, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1009,1010,1011,
 &end
#
#   52 LYS  HB3          64 VAL  QG2         5.50    (#   3373:25  Preassigned    2.33, 3.02 A)
 &rst
  ixpk= 3373, nxpk= 25, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1009,1010,1011,
 &end
#
#   65 LEU  HN            3 VAL  QG2         5.50    (#   3375:25  Preassigned    5.92, 6.67 A)
 &rst
  ixpk= 3375, nxpk= 25, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  28,  29,  30,
 &end
#
#    0 AMB  25-3:3380    59 VAL  QG2         5.50    (#   3380:25  Single Ambig)
 &rst
  ixpk= 3380, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 119, 992,
 igr2= 945, 946, 947,
 &end
#
#    9 GLY  HA+          59 VAL  QG2         5.50    (#   3383:25  Preassigned    3.32, 4.72 A)
 &rst
  ixpk= 3383, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 110, 111,
 igr2= 945, 946, 947,
 &end
#
#   59 PHE  HD           58 VAL  QG2         5.50    (#   3384:25  Preassigned    5.14, 6.48 A)
 &rst
  ixpk= 3384, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 931,
 igr2= 945, 946, 947,
 &end
#
#    9 GLY  HA+           8 ALA  QB          5.50    (#   3386:25  Preassigned    4.32, 5.24 A)
 &rst
  ixpk= 3386, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 110, 111,
 igr2= 102, 103, 104,
 &end
#
#    5 SER  HA            4 ILE  QG2         5.50    (#   3388:25  Preassigned    6.37, 6.55 A)
 &rst
  ixpk= 3388, nxpk= 25, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#   60 ASN  HA            5 ILE  QG2         5.50    (#   3390:25  Preassigned    3.60, 4.36 A)
 &rst
  ixpk= 3390, nxpk= 25, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  51,  52,  53,
 &end
#
#   12 TRP  HE1          30 ILE  QG2         5.50    (#   3391:25  Preassigned    5.58, 6.63 A)
 &rst
  ixpk= 3391, nxpk= 25, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 438, 439, 440,
 &end
#
#   23 GLU  HN           22 ILE  QG2         4.50    (#   3392:25  Preassigned    3.95, 4.52 A)
 &rst
  ixpk= 3392, nxpk= 25, iat= 330,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 317, 318, 319,
 &end
#
#   68 LEU  HA           47 ILE  QG2         5.50    (#   3400:25  Preassigned    4.95, 6.21 A)
 &rst
  ixpk= 3400, nxpk= 25, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 733, 734, 735,
 &end
#
#   33 SER  HB2          38 ILE  QG2         5.50    (#   3401:25  Preassigned    5.46, 6.36 A)
 &rst
  ixpk= 3401, nxpk= 25, iat= 489,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 601, 602, 603,
 &end
#
#   33 SER  HB3          38 ILE  QG2         7.00    (#   3402:25  Preassigned    6.19, 7.32 A)
 &rst
  ixpk= 3402, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 601, 602, 603,
 &end
#
#   34 MET  HG+          34 MET  QE          5.50    (#   3404:25  Preassigned    2.49, 3.25 A)
 &rst
  ixpk= 3404, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 503, 504,
 igr2= 507, 508, 509,
 &end
#
#   68 LEU  HN           48 VAL  HA          5.50    (#   3409:25  Preassigned    5.00, 5.09 A)
 &rst
  ixpk= 3409, nxpk= 25, iat=1068, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 ASP  HB2          57 PHE  HA          7.00    (#   3411:25  Preassigned    5.98, 6.06 A)
 &rst
  ixpk= 3411, nxpk= 25, iat= 907, 917, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    10 ASN  HB2          12 TRP  HA          5.50    (#   3412:25  Preassigned    4.78, 4.89 A)
 &rst
  ixpk= 3412, nxpk= 25, iat= 119, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  QG2          22 ILE  HA          5.50    (#   3413:25  Preassigned    5.25, 6.02 A)
 &rst
  ixpk= 3413, nxpk= 25, iat=  -1, 313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#   38 ILE  QD1          37 GLU  HA          5.50    (#   3414:25  Preassigned    2.78, 5.99 A)
 &rst
  ixpk= 3414, nxpk= 25, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#   58 PHE  HB2          57 ASP  HA          5.50    (#   3415:25  Preassigned    4.45, 4.52 A)
 &rst
  ixpk= 3415, nxpk= 25, iat= 919, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HB           13 LYS  HA          5.50    (#   3416:25  Preassigned    4.34, 4.42 A)
 &rst
  ixpk= 3416, nxpk= 25, iat= 198, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 BTL  HA           35 MET  HA          5.50    (#   3417:25  Preassigned    4.43, 4.55 A)
 &rst
  ixpk= 3417, nxpk= 25, iat= 515, 565, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HB3          29 ALA  HA          5.50    (#   3418:25  Unique         4.70, 4.83 A)
 &rst
  ixpk= 3418, nxpk= 25, iat= 177, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HB2           9 GLY  HA+         5.50    (#   3419:25  Preassigned    4.94, 5.87 A)
 &rst
  ixpk= 3419, nxpk= 25, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 110, 111,
 &end
#
#    3 VAL  QG2          65 LEU  HB3         5.50    (#   3421:25  Preassigned    5.03, 5.52 A)
 &rst
  ixpk= 3421, nxpk= 25, iat=  -1,1020, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  28,  29,  30,
 &end
#
#    0 AMB  25-3:3422    65 LEU  HB2         5.50    (#   3422:25  Single Ambig)
 &rst
  ixpk= 3422, nxpk= 25, iat=  -1,1019, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 844, 845, 805, 806, 807,
 &end
#
#   53 LYS  HG-          53 LYS  QE          4.50    (#   3423:25  Preassigned    2.21, 2.83 A)
 &rst
  ixpk= 3423, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 844, 845,
 igr2= 850, 851,
 &end
#
#    0 AMB  25-3:3424     0 AMB  25-1:3424   5.50    (#   3424:25  Double Ambig)
 &rst
  ixpk= 3424, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 687,1089,
 igr2= 358, 359, 775, 776,
 &end
#
#    0 AMB  25-3:3425    52 LYS  HE-         5.50    (#   3425:25  Single Ambig)
 &rst
  ixpk= 3425, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1057, 820,
 igr2= 828, 829,
 &end
#
#   53 LYS  HA           53 LYS  QE          5.50    (#   3426:25  Preassigned    4.27, 4.72 A)
 &rst
  ixpk= 3426, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 850, 851,
 &end
#
#    8 ALA  QB           60 ASN  HB+         5.50    (#   3427:25  Preassigned    4.93, 5.94 A)
 &rst
  ixpk= 3427, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 102, 103, 104,
 igr2= 955, 956,
 &end
#
#   52 LYS  HA           52 LYS  HE+         5.50    (#   3428:25  Preassigned    2.63, 4.40 A)
 &rst
  ixpk= 3428, nxpk= 25, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 828, 829,
 &end
#
#   15 HID  HE1          13 LYS  HE-         5.50    (#   3429:25  Preassigned    2.34, 3.20 A)
 &rst
  ixpk= 3429, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   11 LEU  QD+          57 ASP  HB2         5.50    (#   3430:25  Preassigned    3.93, 6.77 A)
 &rst
  ixpk= 3430, nxpk= 25, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   54 LYS  HN           57 ASP  HB2         5.50    (#   3431:25  Preassigned    2.21, 2.53 A)
 &rst
  ixpk= 3431, nxpk= 25, iat= 859, 907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    11 ASN  HA           10 LEU  HB2         5.50    (#   3432:25  Preassigned    4.07, 4.11 A)
 &rst
  ixpk= 3432, nxpk= 25, iat= 117, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3433     0 AMB  25-1:3433   5.50    (#   3433:25  Double Ambig)
 &rst
  ixpk= 3433, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 442, 443, 445, 446, 447,
 igr2= 398, 399, 398, 399,
 &end
#
#   14 VAL  QG1          55 GLU  HG+         5.50    (#   3434:25  Preassigned    4.92, 6.04 A)
 &rst
  ixpk= 3434, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 200, 201, 202,
 igr2= 888, 889,
 &end
#
#   38 ILE  HN           37 GLU  HG+         5.50    (#   3435:25  Preassigned    3.28, 4.83 A)
 &rst
  ixpk= 3435, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 587, 588,
 &end
#
#    0 AMB  25-3:3436    50 GLU  HG-         5.50    (#   3436:25  Single Ambig)
 &rst
  ixpk= 3436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 817, 801,
 igr2= 791, 792,
 &end
#
#   50 GLU  HA           50 GLU  HG+         5.50    (#   3437:25  Preassigned    2.32, 2.86 A)
 &rst
  ixpk= 3437, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 792,
 &end
#
#   50 GLU  HA           50 GLU  HG-         5.50    (#   3438:25  Preassigned    2.32, 2.86 A)
 &rst
  ixpk= 3438, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 791, 792,
 &end
#
#   50 GLU  HB3          50 GLU  HG-         4.50    (#   3439:25  Preassigned    2.38, 2.68 A)
 &rst
  ixpk= 3439, nxpk= 25, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 791, 792,
 &end
#
#   23 GLU  HB2          23 GLU  HG-         3.50    (#   3440:25  Preassigned    2.29, 2.74 A)
 &rst
  ixpk= 3440, nxpk= 25, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 337, 338,
 &end
#
#   26 GLN  HG+          23 GLU  HG-         7.00    (#   3441:25  Preassigned    5.93, 7.46 A)
 &rst
  ixpk= 3441, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 381, 382,
 igr2= 337, 338,
 &end
#
#    0 AMB  25-3:3442     0 AMB  25-1:3442   5.50    (#   3442:25  Double Ambig)
 &rst
  ixpk= 3442, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 250, 251, 822, 823, 321, 322,
 igr2= 231,1060,1061,
 &end
#
#   53 LYS  QE           59 VAL  HB          5.50    (#   3443:25  Preassigned    4.14, 5.10 A)
 &rst
  ixpk= 3443, nxpk= 25, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#    0 AMB  25-3:3444     0 AMB  25-1:3444   5.50    (#   3444:25  Double Ambig)
 &rst
  ixpk= 3444, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  83,1089,
 igr2= 972, 973,1060,1061,
 &end
#
#   52 LYS  HG+          67 GLU  HG-         5.50    (#   3445:25  Preassigned    5.10, 6.28 A)
 &rst
  ixpk= 3445, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 822, 823,
 igr2=1060,1061,
 &end
#
#   52 LYS  HE+          67 GLU  HG+         5.50    (#   3446:25  Preassigned    3.00, 5.14 A)
 &rst
  ixpk= 3446, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 828, 829,
 igr2=1060,1061,
 &end
#
#   51 VAL  HN           50 GLU  HB2         5.50    (#   3447:25  Preassigned    4.03, 4.16 A)
 &rst
  ixpk= 3447, nxpk= 25, iat= 799, 788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HN           41 VAL  HB          5.50    (#   3448:25  Preassigned    4.68, 4.78 A)
 &rst
  ixpk= 3448, nxpk= 25, iat= 406, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HG+          49 LYS  HB3         2.80    (#   3449:25  Preassigned    2.43, 2.79 A)
 &rst
  ixpk= 3449, nxpk= 25, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 769, 770,
 &end
#
#    0 AMB  25-3:3452     0 AMB  25-1:3452   5.50    (#   3452:25  Double Ambig)
 &rst
  ixpk= 3452, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 847, 848, 315, 350,
 igr2= 820, 334,
 &end
#
#    0 AMB  25-3:3453     0 AMB  25-1:3453   4.50    (#   3453:25  Double Ambig)
 &rst
  ixpk= 3453, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 692, 693, 825, 826, 844, 845, 767,
 igr2= 689, 690,1058, 819,
 &end
#
#   61 ASN  HA           60 GLU  HB3         5.50    (#   3455:25  Preassigned    4.93, 4.99 A)
 &rst
  ixpk= 3455, nxpk= 25, iat= 953, 970, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ASN  HA           60 GLU  HB2         5.50    (#   3456:25  Preassigned    4.56, 4.60 A)
 &rst
  ixpk= 3456, nxpk= 25, iat= 953, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HG-          52 LYS  QD          3.50    (#   3458:25  Preassigned    2.33, 2.73 A)
 &rst
  ixpk= 3458, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 822, 823,
 igr2= 825, 826,
 &end
#
#   33 SER  HB3          38 ILE  HG1-        5.50    (#   3459:25  Preassigned    3.95, 4.78 A)
 &rst
  ixpk= 3459, nxpk= 25, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 605, 606,
 &end
#
#   66 LEU  HA           66 LEU  QD-         5.50    (#   3460:25  Preassigned    2.17, 3.88 A)
 &rst
  ixpk= 3460, nxpk= 25, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   66 LEU  HG           66 LEU  QD+         3.50    (#   3461:25  Preassigned    2.38, 2.67 A)
 &rst
  ixpk= 3461, nxpk= 25, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1043,1044,1045,1047,1048,1049,
 &end
#
#   53 LYS  HN           53 LYS  HG-         5.50    (#   3463:25  Preassigned    3.27, 3.91 A)
 &rst
  ixpk= 3463, nxpk= 25, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 844, 845,
 &end
#
#   18 ALA  HN           17 LYS  HG-         5.50    (#   3464:25  Preassigned    3.92, 4.61 A)
 &rst
  ixpk= 3464, nxpk= 25, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   17 VAL  HA           16 LYS  HG-         5.50    (#   3465:25  Preassigned    3.51, 4.33 A)
 &rst
  ixpk= 3465, nxpk= 25, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 251,
 &end
#
#   41 VAL  HA           28 VAL  QG2         5.50    (#   3466:25  Preassigned    2.37, 3.55 A)
 &rst
  ixpk= 3466, nxpk= 25, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
#    0 AMB  25-3:3467    48 VAL  QG2         5.50    (#   3467:25  Single Ambig)
 &rst
  ixpk= 3467, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 284, 245,
 igr2= 756, 757, 758,
 &end
#
#   16 VAL  HB           48 VAL  QG2         3.50    (#   3468:25  Preassigned    2.17, 3.33 A)
 &rst
  ixpk= 3468, nxpk= 25, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 756, 757, 758,
 &end
#
#    0 AMB  25-3:3469    28 VAL  QG2         5.50    (#   3469:25  Single Ambig)
 &rst
  ixpk= 3469, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1022, 638, 639,
 igr2= 416, 417, 418,
 &end
#
#   66 LEU  HB+          51 VAL  QG2         7.00    (#   3470:25  Preassigned    4.37, 6.77 A)
 &rst
  ixpk= 3470, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1038,1039,
 igr2= 809, 810, 811,
 &end
#
#    0 AMB  25-3:3471    51 VAL  QG1         5.50    (#   3471:25  Single Ambig)
 &rst
  ixpk= 3471, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 245, 861,
 igr2= 805, 806, 807,
 &end
#
#   53 LYS  HA           51 VAL  QG1         5.50    (#   3472:25  Unique         4.75, 5.85 A)
 &rst
  ixpk= 3472, nxpk= 25, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 805, 806, 807,
 &end
#
#   11 LEU  QD-          51 VAL  QG1         5.50    (#   3474:25  Preassigned    4.71, 6.97 A)
 &rst
  ixpk= 3474, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 138, 139, 140, 142, 143, 144,
 igr2= 805, 806, 807,
 &end
#
#   11 LEU  HG           14 VAL  QG2         5.50    (#   3475:25  Preassigned    2.35, 2.87 A)
 &rst
  ixpk= 3475, nxpk= 25, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 204, 205, 206,
 &end
#
#   11 LEU  HN           59 VAL  QG1         5.50    (#   3476:25  Preassigned    3.58, 4.61 A)
 &rst
  ixpk= 3476, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 941, 942, 943,
 &end
#
#   53 LYS  HB3          51 VAL  QG1         5.50    (#   3477:25  Preassigned    5.01, 6.02 A)
 &rst
  ixpk= 3477, nxpk= 25, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 805, 806, 807,
 &end
#
#   29 ALA  QB           14 VAL  QG1         5.50    (#   3479:25  Preassigned    2.80, 5.02 A)
 &rst
  ixpk= 3479, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 426, 427, 428,
 igr2= 200, 201, 202,
 &end
#
#    0 AMB  25-3:3484     8 ALA  QB          5.50    (#   3484:25  Single Ambig)
 &rst
  ixpk= 3484, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  85,  86, 970,
 igr2= 102, 103, 104,
 &end
#
#   68 LEU  QD2          16 VAL  QG2         5.50    (#   3486:25  Preassigned    5.49, 7.27 A)
 &rst
  ixpk= 3486, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1081,1082,1083,
 igr2= 237, 238, 239,
 &end
#
#    0 AMB  25-3:3488    39 PRO  HD-         5.50    (#   3488:25  Single Ambig)
 &rst
  ixpk= 3488, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 582, 434,
 igr2= 615, 616,
 &end
#
#   68 GLU  HA           67 LEU  HB3         5.50    (#   3489:25  Preassigned    5.46, 5.51 A)
 &rst
  ixpk= 3489, nxpk= 25, iat=1055,1073, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:3490     0 AMB  25-1:3490   5.50    (#   3490:25  Double Ambig)
 &rst
  ixpk= 3490, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1036,1070,
 igr2=1057, 820,
 &end
#
#   35 BTL  H5           37 GLU  QB          5.50    (#   3491:25  Preassigned    2.45, 4.19 A)
 &rst
  ixpk= 3491, nxpk= 25, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 584, 585,
 &end
#
#   33 SER  HN            7 MET  QE          5.50    (#   3494:25  Unique         5.64, 6.51 A)
 &rst
  ixpk= 3494, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  92,  93,  94,
 &end
#
#   58 PHE  HZ           34 MET  QE          5.50    (#   3495:25  Preassigned    4.12, 5.01 A)
 &rst
  ixpk= 3495, nxpk= 25, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 507, 508, 509,
 &end
#
#   60 ASN  HA           34 MET  QE          5.50    (#   3499:25  Preassigned    5.41, 6.67 A)
 &rst
  ixpk= 3499, nxpk= 25, iat= 953,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 507, 508, 509,
 &end
#
#   13 LYS  HG+          15 HID  HE1         5.50    (#   5000:25  Preassigned    3.47, 4.51 A)
 &rst
  ixpk= 5000, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   13 LYS  HG-          15 HID  HE1         4.50    (#   5001:25  Preassigned    3.47, 4.51 A)
 &rst
  ixpk= 5001, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#    0 AMB  25-3:5002    15 HID  HE1         4.50    (#   5002:25  Single Ambig)
 &rst
  ixpk= 5002, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 176, 445, 446, 447, 442, 443,
 &end
#
#    0 AMB  25-3:5003    15 HID  HE1         3.50    (#   5003:25  Single Ambig)
 &rst
  ixpk= 5003, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 182, 183, 177,
 &end
#
#   30 ILE  HG1+         15 HID  HE1         5.50    (#   5004:25  Preassigned    4.59, 5.35 A)
 &rst
  ixpk= 5004, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 442, 443,
 &end
#
#   13 LYS  HD-          15 HID  HE1         4.50    (#   5005:25  Preassigned    2.38, 3.35 A)
 &rst
  ixpk= 5005, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 182, 183,
 &end
#
#   30 ILE  HB           15 HID  HE1         7.00    (#   5006:25  Preassigned    5.43, 5.72 A)
 &rst
  ixpk= 5006, nxpk= 25, iat= 436, 220, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   13 LYS  HE+          15 HID  HE1         5.50    (#   5007:25  Preassigned    2.34, 3.20 A)
 &rst
  ixpk= 5007, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 185, 186,
 &end
#
#   13 LYS  HE-          15 HID  HE1         5.50    (#   5008:25  Preassigned    2.34, 3.20 A)
 &rst
  ixpk= 5008, nxpk= 25, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 185, 186,
 &end
#
#   13 LYS  HA           15 HID  HE1         5.50    (#   5009:25  Unique         4.94, 5.13 A)
 &rst
  ixpk= 5009, nxpk= 25, iat= 174, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HD2          15 HID  HE1         5.50    (#   5011:25  Preassigned    4.24, 4.25 A)
 &rst
  ixpk= 5011, nxpk= 25, iat= 223, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HD1          15 HID  HE1         7.00    (#   5012:25  Preassigned    7.06, 7.08 A)
 &rst
  ixpk= 5012, nxpk= 25, iat= 156, 220, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   58 PHE  HB3          58 PHE  HD          4.50    (#   5015:25  Preassigned    2.37, 3.08 A)
 &rst
  ixpk= 5015, nxpk= 25, iat= 920,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 923, 931,
 &end
#
#   58 PHE  HB2          58 PHE  HD          4.50    (#   5016:25  Preassigned    2.55, 3.11 A)
 &rst
  ixpk= 5016, nxpk= 25, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 923, 931,
 &end
#
#   58 PHE  HA           58 PHE  HD          5.50    (#   5017:25  Preassigned    2.62, 3.52 A)
 &rst
  ixpk= 5017, nxpk= 25, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 923, 931,
 &end
#
#    10 ASN  HA           58 PHE  HD          5.50    (#   5018:25  Preassigned    3.95, 5.36 A)
 &rst
  ixpk= 5018, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 923, 931,
 &end
#
#    0 AMB  25-3:5019    58 PHE  HD          5.50    (#   5019:25  Single Ambig)
 &rst
  ixpk= 5019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 935, 915,
 igr2= 923, 931,
 &end
#
#    8 ALA  QB           58 PHE  HE          5.50    (#   5020:25  Preassigned    4.38, 6.48 A)
 &rst
  ixpk= 5020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 102, 103, 104,
 igr2= 925, 929,
 &end
#
#   58 PHE  HD           58 PHE  HE          2.80    (#   5021:25  Preassigned    2.48, 3.73 A)
 &rst
  ixpk= 5021, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 923, 931,
 igr2= 925, 929,
 &end
#
#    8 ALA  QB           58 PHE  HZ          4.50    (#   5022:25  Preassigned    4.40, 5.50 A)
 &rst
  ixpk= 5022, nxpk= 25, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 102, 103, 104,
 &end
#
#   13 LYS  HG+          12 TRP  HD1         5.50    (#   5023:25  Preassigned    2.38, 2.92 A)
 &rst
  ixpk= 5023, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   13 LYS  HG-          12 TRP  HD1         5.50    (#   5024:25  Preassigned    2.38, 2.92 A)
 &rst
  ixpk= 5024, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#    0 AMB  25-3:5025    12 TRP  HD1         4.50    (#   5025:25  Single Ambig)
 &rst
  ixpk= 5025, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 445, 446, 447, 438, 439, 440, 442, 443,
 &end
#
#   13 LYS  HB3          12 TRP  HD1         5.50    (#   5026:25  Preassigned    5.21, 5.25 A)
 &rst
  ixpk= 5026, nxpk= 25, iat= 177, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:5027    12 TRP  HD1         5.50    (#   5027:25  Single Ambig)
 &rst
  ixpk= 5027, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 474, 543, 442, 443,
 &end
#
#   30 ILE  HB           12 TRP  HD1         5.50    (#   5028:25  Unique         5.07, 5.11 A)
 &rst
  ixpk= 5028, nxpk= 25, iat= 436, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HE+          12 TRP  HD1         5.50    (#   5029:25  Preassigned    3.85, 4.88 A)
 &rst
  ixpk= 5029, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 185, 186,
 &end
#
#   35 BTL  H4           12 TRP  HD1         5.50    (#   5030:25  Preassigned    5.05, 5.31 A)
 &rst
  ixpk= 5030, nxpk= 25, iat= 559, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB3          12 TRP  HD1         4.50    (#   5032:25  Preassigned    3.62, 3.71 A)
 &rst
  ixpk= 5032, nxpk= 25, iat= 153, 156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HB2          12 TRP  HD1         4.50    (#   5033:25  Preassigned    3.59, 3.62 A)
 &rst
  ixpk= 5033, nxpk= 25, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 LEU  HA           11 TRP  HD1         7.00    (#   5034:25  Preassigned    6.77, 6.99 A)
 &rst
  ixpk= 5034, nxpk= 25, iat= 131, 156, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   13 LYS  HA           12 TRP  HD1         5.50    (#   5035:25  Preassigned    4.16, 4.31 A)
 &rst
  ixpk= 5035, nxpk= 25, iat= 174, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HA           12 TRP  HD1         4.50    (#   5036:25  Preassigned    2.70, 2.85 A)
 &rst
  ixpk= 5036, nxpk= 25, iat= 150, 156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 BTL  HN3          12 TRP  HD1         7.00    (#   5037:25  Preassigned    6.91, 6.96 A)
 &rst
  ixpk= 5037, nxpk= 25, iat= 553, 156, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-3:5038    12 TRP  HD1         5.50    (#   5038:25  Single Ambig)
 &rst
  ixpk= 5038, nxpk= 25, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 161, 167,
 &end
#
#   13 LYS  HN           12 TRP  HD1         5.50    (#   5039:25  Preassigned    4.20, 4.25 A)
 &rst
  ixpk= 5039, nxpk= 25, iat= 172, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HE1          12 TRP  HD1         2.80    (#   5040:25  Preassigned    2.53, 2.53 A)
 &rst
  ixpk= 5040, nxpk= 25, iat= 158, 156, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:5041    12 TRP  HH2         5.50    (#   5041:25  Single Ambig)
 &rst
  ixpk= 5041, nxpk= 25, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 445, 446, 447, 442, 443,
 &end
#
#   35 BTL  H4           12 TRP  HH2         5.50    (#   5042:25  Preassigned    5.25, 5.67 A)
 &rst
  ixpk= 5042, nxpk= 25, iat= 559, 163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HN2          12 TRP  HH2         7.00    (#   5043:25  Preassigned    5.77, 5.88 A)
 &rst
  ixpk= 5043, nxpk= 25, iat= 557, 163, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   12 TRP  HZ2          12 TRP  HH2         2.80    (#   5044:25  Preassigned    2.49, 2.49 A)
 &rst
  ixpk= 5044, nxpk= 25, iat= 161, 163, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 TRP  HE1          12 TRP  HH2         5.50    (#   5045:25  Preassigned    5.05, 5.07 A)
 &rst
  ixpk= 5045, nxpk= 25, iat= 158, 163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-3:5046    12 TRP  HZ3         4.50    (#   5046:25  Single Ambig)
 &rst
  ixpk= 5046, nxpk= 25, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 445, 446, 447, 442, 443,
 &end
#
#   37 GLU  HG-          12 TRP  HZ3         5.50    (#   5047:25  Preassigned    2.19, 3.71 A)
 &rst
  ixpk= 5047, nxpk= 25, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 587, 588,
 &end
#
#   37 GLU  QB           12 TRP  HZ3         5.50    (#   5048:25  Preassigned    2.11, 2.64 A)
 &rst
  ixpk= 5048, nxpk= 25, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 584, 585,
 &end
#
#   35 BTL  H4           12 TRP  HZ3         5.50    (#   5049:25  Preassigned    4.25, 4.97 A)
 &rst
  ixpk= 5049, nxpk= 25, iat= 559, 165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HB           12 TRP  HE3         4.50    (#   5051:25  Preassigned    3.94, 4.12 A)
 &rst
  ixpk= 5051, nxpk= 25, iat= 436, 167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-3:5052    12 TRP  HE3         5.50    (#   5052:25  Single Ambig)
 &rst
  ixpk= 5052, nxpk= 25, iat=  -1, 167, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 587, 588, 477, 478, 185, 186,
 &end
#
#   35 BTL  H4           12 TRP  HE3         5.50    (#   5053:25  Preassigned    3.32, 3.97 A)
 &rst
  ixpk= 5053, nxpk= 25, iat= 559, 167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  H5           12 TRP  HE3         5.50    (#   5054:25  Preassigned    2.81, 3.05 A)
 &rst
  ixpk= 5054, nxpk= 25, iat= 551, 167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HB3          12 TRP  HE3         4.50    (#   5055:25  Preassigned    2.77, 2.85 A)
 &rst
  ixpk= 5055, nxpk= 25, iat= 153, 167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HB2          12 TRP  HE3         5.50    (#   5056:25  Preassigned    2.93, 3.01 A)
 &rst
  ixpk= 5056, nxpk= 25, iat= 152, 167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HA           12 TRP  HE3         5.50    (#   5057:25  Preassigned    5.18, 5.22 A)
 &rst
  ixpk= 5057, nxpk= 25, iat= 150, 167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HZ3          12 TRP  HE3         3.50    (#   5058:25  Preassigned    2.46, 2.47 A)
 &rst
  ixpk= 5058, nxpk= 25, iat= 165, 167, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-3:5059    15 HID  HD2         5.50    (#   5059:25  Single Ambig)
 &rst
  ixpk= 5059, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 412, 413, 414, 179, 180,
 &end
#
#    0 AMB  25-3:5060    15 HID  HD2         4.50    (#   5060:25  Single Ambig)
 &rst
  ixpk= 5060, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 176, 233, 234, 235,
 &end
#
#   30 ILE  HG1+         15 HID  HD2         5.50    (#   5061:25  Preassigned    2.81, 3.65 A)
 &rst
  ixpk= 5061, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 442, 443,
 &end
#
#   27 GLU  HG-          15 HID  HD2         3.50    (#   5062:25  Preassigned    2.56, 3.26 A)
 &rst
  ixpk= 5062, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 398, 399,
 &end
#
#   27 GLU  HB2          15 HID  HD2         5.50    (#   5063:25  Preassigned    5.60, 5.68 A)
 &rst
  ixpk= 5063, nxpk= 25, iat= 395, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HG+          15 HID  HD2         4.50    (#   5064:25  Preassigned    2.56, 3.26 A)
 &rst
  ixpk= 5064, nxpk= 25, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#   15 HID  HB2          15 HID  HD2         3.50    (#   5065:25  Preassigned    2.65, 2.66 A)
 &rst
  ixpk= 5065, nxpk= 25, iat= 214, 223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 HID  HB3          15 HID  HD2         4.50    (#   5066:25  Preassigned    3.77, 3.79 A)
 &rst
  ixpk= 5066, nxpk= 25, iat= 215, 223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 ALA  HA           15 HID  HD2         5.50    (#   5067:25  Preassigned    2.21, 2.25 A)
 &rst
  ixpk= 5067, nxpk= 25, iat= 424, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HA           15 HID  HD2         5.50    (#   5068:25  Preassigned    5.31, 5.39 A)
 &rst
  ixpk= 5068, nxpk= 25, iat= 393, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HA           15 HID  HD2         4.50    (#   5069:25  Preassigned    3.98, 4.08 A)
 &rst
  ixpk= 5069, nxpk= 25, iat= 408, 223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HA           15 HID  HD2         5.50    (#   5071:25  Preassigned    4.47, 4.50 A)
 &rst
  ixpk= 5071, nxpk= 25, iat= 212, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HE1          15 HID  HD2         5.50    (#   5072:25  Preassigned    4.24, 4.25 A)
 &rst
  ixpk= 5072, nxpk= 25, iat= 220, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  HN           15 HID  HD2         5.50    (#   5073:25  Preassigned    3.37, 3.49 A)
 &rst
  ixpk= 5073, nxpk= 25, iat= 422, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HN           15 HID  HD2         5.50    (#   5074:25  Preassigned    3.34, 3.41 A)
 &rst
  ixpk= 5074, nxpk= 25, iat= 210, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HN           15 HID  HD2         5.50    (#   5075:25  Preassigned    3.94, 4.03 A)
 &rst
  ixpk= 5075, nxpk= 25, iat= 432, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HN           15 HID  HD2         5.50    (#   5076:25  Preassigned    4.33, 4.46 A)
 &rst
  ixpk= 5076, nxpk= 25, iat= 406, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HN2          12 TRP  HZ2         7.00    (#   5078:25  Preassigned    4.78, 4.94 A)
 &rst
  ixpk= 5078, nxpk= 25, iat= 557, 161, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   12 TRP  HE1          12 TRP  HZ2         4.50    (#   5079:25  Preassigned    2.86, 2.89 A)
 &rst
  ixpk= 5079, nxpk= 25, iat= 158, 161, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 TRP  HH2          12 TRP  HZ2         2.80    (#   5080:25  Preassigned    2.49, 2.49 A)
 &rst
  ixpk= 5080, nxpk= 25, iat= 163, 161, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  25-3:5081    12 TRP  HZ2         5.50    (#   5081:25  Single Ambig)
 &rst
  ixpk= 5081, nxpk= 25, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 185, 186, 587, 588,
 &end
#
#   13 LYS  HE-          12 TRP  HZ2         5.50    (#   5082:25  Preassigned    3.70, 4.89 A)
 &rst
  ixpk= 5082, nxpk= 25, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 185, 186,
 &end
#
#   35 BTL  H4           12 TRP  HZ2         5.50    (#   5083:25  Preassigned    5.45, 5.52 A)
 &rst
  ixpk= 5083, nxpk= 25, iat= 559, 161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  H5           12 TRP  HZ2         5.50    (#   5084:25  Preassigned    4.85, 4.97 A)
 &rst
  ixpk= 5084, nxpk= 25, iat= 551, 161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HB3          49 LYS  HN          2.80    (#      0:15  Preassigned    2.40, 2.47 A)
 &rst
  ixpk= 0, nxpk= 15, iat= 767, 762, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   69 SER  HN           49 LYS  HN          5.50    (#      1:15  Preassigned    3.05, 3.34 A)
 &rst
  ixpk= 1, nxpk= 15, iat=1087, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HN           49 LYS  HN          5.50    (#      2:15  Preassigned    3.76, 4.02 A)
 &rst
  ixpk= 2, nxpk= 15, iat=1053, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           49 LYS  HN          2.80    (#      3:15  Preassigned    1.96, 2.23 A)
 &rst
  ixpk= 3, nxpk= 15, iat= 784, 762, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   68 LEU  HA           49 LYS  HN          2.80    (#      4:15  Preassigned    1.86, 2.02 A)
 &rst
  ixpk= 4, nxpk= 15, iat=1070, 762, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   69 SER  HA           49 LYS  HN          5.50    (#      5:15  Preassigned    4.95, 5.29 A)
 &rst
  ixpk= 5, nxpk= 15, iat=1089, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HA           49 LYS  HN          3.50    (#      6:15  Preassigned    2.94, 2.96 A)
 &rst
  ixpk= 6, nxpk= 15, iat= 764, 762, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 SER  QB           49 LYS  HN          7.00    (#      7:15  Preassigned    4.70, 5.90 A)
 &rst
  ixpk= 7, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1091,1092,
 &end
#
#   49 LYS  HB2          49 LYS  HN          3.50    (#      8:15  Preassigned    2.57, 2.75 A)
 &rst
  ixpk= 8, nxpk= 15, iat= 766, 762, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 VAL  QG2          48 LYS  HN          5.50    (#      9:15  Preassigned    4.26, 5.07 A)
 &rst
  ixpk= 9, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#    0 AMB  15-3:10      49 LYS  HN          5.50    (#     10:15  Single Ambig)
 &rst
  ixpk= 10, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049, 809, 810, 811,
 &end
#
#   49 VAL  QG1          48 LYS  HN          3.50    (#     11:15  Preassigned    2.72, 3.65 A)
 &rst
  ixpk= 11, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 752, 753, 754,
 &end
#
#   68 LEU  QD2          49 LYS  HN          4.50    (#     12:15  Preassigned    3.01, 4.00 A)
 &rst
  ixpk= 12, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1081,1082,1083,
 &end
#
#   49 VAL  HA           48 LYS  HN          2.80    (#     13:15  Preassigned    2.13, 2.18 A)
 &rst
  ixpk= 13, nxpk= 15, iat= 748, 762, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:14      49 LYS  HN          5.50    (#     14:15  Single Ambig)
 &rst
  ixpk= 14, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 769, 770, 269, 270, 271,
 &end
#
#    0 AMB  15-3:15      12 TRP  HN          5.50    (#     15:15  Single Ambig)
 &rst
  ixpk= 15, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 136, 177,
 &end
#
#   32 GLU  HN           12 TRP  HN          4.50    (#     16:15  Preassigned    2.31, 2.37 A)
 &rst
  ixpk= 16, nxpk= 15, iat= 470, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  HN           12 TRP  HN          5.50    (#     17:15  Preassigned    3.94, 4.96 A)
 &rst
  ixpk= 17, nxpk= 15, iat= 432, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           12 TRP  HN          3.50    (#     18:15  Preassigned    2.48, 3.39 A)
 &rst
  ixpk= 18, nxpk= 15, iat= 172, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 TRP  HE3          12 TRP  HN          5.50    (#     19:15  Preassigned    4.64, 4.73 A)
 &rst
  ixpk= 19, nxpk= 15, iat= 167, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HA           12 TRP  HN          4.50    (#     20:15  Preassigned    2.59, 2.63 A)
 &rst
  ixpk= 20, nxpk= 15, iat= 150, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 LEU  HA           11 TRP  HN          2.80    (#     22:15  Preassigned    2.18, 2.40 A)
 &rst
  ixpk= 22, nxpk= 15, iat= 131, 148, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 TRP  HB2          12 TRP  HN          3.50    (#     23:15  Preassigned    2.30, 2.36 A)
 &rst
  ixpk= 23, nxpk= 15, iat= 152, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 TRP  HB3          12 TRP  HN          3.50    (#     24:15  Preassigned    2.40, 2.50 A)
 &rst
  ixpk= 24, nxpk= 15, iat= 153, 148, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:25      12 TRP  HN          5.50    (#     25:15  Single Ambig)
 &rst
  ixpk= 25, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 134, 436,
 &end
#
#    0 AMB  15-3:26      12 TRP  HN          5.50    (#     26:15  Single Ambig)
 &rst
  ixpk= 26, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 133, 426, 427, 428, 442, 443,
 &end
#
#   30 ILE  QG2          12 TRP  HN          5.50    (#     27:15  Preassigned    4.01, 5.76 A)
 &rst
  ixpk= 27, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   12 LEU  QD+          11 TRP  HN          4.50    (#     28:15  Preassigned    3.88, 5.81 A)
 &rst
  ixpk= 28, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  15-3:29      12 TRP  HN          4.50    (#     29:15  Single Ambig)
 &rst
  ixpk= 29, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 138, 139, 140, 142, 143, 144,
 &end
#
#   38 ILE  HN           31 LEU  HN          4.50    (#     31:15  Preassigned    3.00, 3.09 A)
 &rst
  ixpk= 31, nxpk= 15, iat= 595, 451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 ILE  HA           30 LEU  HN          2.80    (#     32:15  Preassigned    2.19, 2.21 A)
 &rst
  ixpk= 32, nxpk= 15, iat= 434, 451, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   38 ILE  HB           31 LEU  HN          5.50    (#     33:15  Preassigned    3.37, 3.47 A)
 &rst
  ixpk= 33, nxpk= 15, iat= 599, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HB3          31 LEU  HN          4.50    (#     34:15  Preassigned    3.56, 3.57 A)
 &rst
  ixpk= 34, nxpk= 15, iat= 456, 451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:35      31 LEU  HN          4.50    (#     35:15  Single Ambig)
 &rst
  ixpk= 35, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 455, 638, 639,
 &end
#
#   39 PRO  HA           31 LEU  HN          5.50    (#     36:15  Preassigned    3.41, 3.53 A)
 &rst
  ixpk= 36, nxpk= 15, iat= 624, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ILE  QG2          30 LEU  HN          4.50    (#     37:15  Preassigned    2.58, 3.18 A)
 &rst
  ixpk= 37, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 438, 439, 440,
 &end
#
#   12 TRP  HD1          12 TRP  HE1         2.80    (#     39:15  Preassigned    2.53, 2.53 A)
 &rst
  ixpk= 39, nxpk= 15, iat= 156, 158, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   13 LYS  HE-          12 TRP  HE1         5.50    (#     41:15  Preassigned    3.21, 4.39 A)
 &rst
  ixpk= 41, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 185, 186,
 &end
#
#   13 LYS  HE+          12 TRP  HE1         5.50    (#     42:15  Preassigned    3.21, 4.39 A)
 &rst
  ixpk= 42, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 185, 186,
 &end
#
#    0 AMB  15-3:43      12 TRP  HE1         5.50    (#     43:15  Single Ambig)
 &rst
  ixpk= 43, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 445, 446, 447, 438, 439, 440,
 &end
#
#   13 LYS  HG-          12 TRP  HE1         5.50    (#     44:15  Preassigned    3.16, 3.85 A)
 &rst
  ixpk= 44, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   13 LYS  HG+          12 TRP  HE1         5.50    (#     45:15  Preassigned    3.16, 3.85 A)
 &rst
  ixpk= 45, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   12 TRP  HH2          12 TRP  HE1         5.50    (#     46:15  Preassigned    5.05, 5.07 A)
 &rst
  ixpk= 46, nxpk= 15, iat= 163, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  H4           12 TRP  HE1         7.00    (#     47:15  Unique         5.04, 5.31 A)
 &rst
  ixpk= 47, nxpk= 15, iat= 559, 158, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   35 BTL  H62          35 BTL  HZ1         7.00    (#     48:15  Preassigned    6.39, 6.95 A)
 &rst
  ixpk= 48, nxpk= 15, iat= 548, 529, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   35 BTL  HE-          35 BTL  HZ1         3.50    (#     49:15  Preassigned    2.29, 2.66 A)
 &rst
  ixpk= 49, nxpk= 15, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 526, 527,
 &end
#
#   35 BTL  HE+          35 BTL  HZ1         2.80    (#     50:15  Preassigned    2.29, 2.66 A)
 &rst
  ixpk= 50, nxpk= 15, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 526, 527,
 &end
#
#   35 BTL  H10+         35 BTL  HZ1         3.50    (#     51:15  Preassigned    2.10, 2.84 A)
 &rst
  ixpk= 51, nxpk= 15, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 533, 534,
 &end
#
#    0 AMB  15-3:52      35 BTL  HZ1         2.80    (#     52:15  Single Ambig)
 &rst
  ixpk= 52, nxpk= 15, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 533, 534, 517,
 &end
#
#   35 BTL  H92          35 BTL  HZ1         4.50    (#     53:15  Preassigned    2.28, 3.99 A)
 &rst
  ixpk= 53, nxpk= 15, iat= 536, 529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 BTL  HD+          35 BTL  HZ1         4.50    (#     54:15  Preassigned    2.36, 3.49 A)
 &rst
  ixpk= 54, nxpk= 15, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 523, 524,
 &end
#
#    0 AMB  15-3:55      35 BTL  HZ1         3.50    (#     55:15  Single Ambig)
 &rst
  ixpk= 55, nxpk= 15, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 537, 520, 521, 540,
 &end
#
#   35 BTL  H82          35 BTL  HZ1         4.50    (#     56:15  Preassigned    2.86, 3.28 A)
 &rst
  ixpk= 56, nxpk= 15, iat= 539, 529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLN  HN           26 GLU  HN          5.50    (#     57:15  Preassigned    4.56, 4.59 A)
 &rst
  ixpk= 57, nxpk= 15, iat= 374, 391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HA           27 GLU  HN          4.50    (#     59:15  Preassigned    2.87, 2.88 A)
 &rst
  ixpk= 59, nxpk= 15, iat= 393, 391, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLN  HA           26 GLU  HN          2.80    (#     60:15  Preassigned    2.25, 2.28 A)
 &rst
  ixpk= 60, nxpk= 15, iat= 376, 391, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   27 GLN  HG+          26 GLU  HN          3.50    (#     61:15  Preassigned    2.39, 3.15 A)
 &rst
  ixpk= 61, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 381, 382,
 &end
#
#    0 AMB  15-3:62      27 GLU  HN          2.80    (#     62:15  Single Ambig)
 &rst
  ixpk= 62, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 381, 382, 395,
 &end
#
#   27 GLU  HB3          27 GLU  HN          2.80    (#     63:15  Preassigned    2.42, 2.45 A)
 &rst
  ixpk= 63, nxpk= 15, iat= 396, 391, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:65      27 GLU  HN          5.50    (#     65:15  Single Ambig)
 &rst
  ixpk= 65, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 663, 647, 628,
 &end
#
#   28 VAL  HN           42 ALA  HN          5.50    (#     67:15  Preassigned    3.74, 3.90 A)
 &rst
  ixpk= 67, nxpk= 15, iat= 406, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:69      42 ALA  HN          5.50    (#     69:15  Single Ambig)
 &rst
  ixpk= 69, nxpk= 15, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 675, 408,
 &end
#
#   35 BTL  HN           34 MET  HN          4.50    (#     71:15  Preassigned    2.62, 2.74 A)
 &rst
  ixpk= 71, nxpk= 15, iat= 513, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 SER  HA           33 MET  HN          2.80    (#     74:15  Preassigned    2.23, 2.31 A)
 &rst
  ixpk= 74, nxpk= 15, iat= 487, 496, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:76      34 MET  HN          2.80    (#     76:15  Single Ambig)
 &rst
  ixpk= 76, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 498, 110, 111,
 &end
#
#    9 GLY  HA-          34 MET  HN          5.50    (#     77:15  Preassigned    3.18, 3.86 A)
 &rst
  ixpk= 77, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#   35 BTL  HA           34 MET  HN          5.50    (#     78:15  Preassigned    4.77, 4.89 A)
 &rst
  ixpk= 78, nxpk= 15, iat= 515, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 SER  HB2          33 MET  HN          5.50    (#     79:15  Preassigned    4.54, 4.59 A)
 &rst
  ixpk= 79, nxpk= 15, iat= 489, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 SER  HB3          33 MET  HN          5.50    (#     80:15  Preassigned    4.08, 4.25 A)
 &rst
  ixpk= 80, nxpk= 15, iat= 490, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 MET  HG+          34 MET  HN          4.50    (#     81:15  Preassigned    2.85, 3.67 A)
 &rst
  ixpk= 81, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 503, 504,
 &end
#
#   34 MET  HG-          34 MET  HN          4.50    (#     82:15  Preassigned    2.85, 3.67 A)
 &rst
  ixpk= 82, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 503, 504,
 &end
#
#   34 MET  QB           34 MET  HN          4.50    (#     83:15  Preassigned    3.50, 3.82 A)
 &rst
  ixpk= 83, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 500, 501,
 &end
#
#    0 AMB  15-3:86      51 VAL  HN          3.50    (#     86:15  Single Ambig)
 &rst
  ixpk= 86, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 801, 817,
 &end
#
#   51 GLU  HA           50 VAL  HN          2.80    (#     87:15  Preassigned    2.26, 2.35 A)
 &rst
  ixpk= 87, nxpk= 15, iat= 786, 799, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   51 VAL  HB           51 VAL  HN          3.50    (#     88:15  Preassigned    2.67, 2.77 A)
 &rst
  ixpk= 88, nxpk= 15, iat= 803, 799, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 GLU  HG-          50 VAL  HN          3.50    (#     89:15  Preassigned    2.13, 2.87 A)
 &rst
  ixpk= 89, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 791, 792,
 &end
#
#   51 GLU  HB3          50 VAL  HN          4.50    (#     90:15  Preassigned    3.22, 3.65 A)
 &rst
  ixpk= 90, nxpk= 15, iat= 789, 799, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ALA  QB           51 VAL  HN          4.50    (#     91:15  Preassigned    3.69, 5.01 A)
 &rst
  ixpk= 91, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 269, 270, 271,
 &end
#
#   51 VAL  QG1          51 VAL  HN          4.50    (#     92:15  Preassigned    4.50, 4.72 A)
 &rst
  ixpk= 92, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 805, 806, 807,
 &end
#
#   51 VAL  QG2          51 VAL  HN          3.50    (#     93:15  Preassigned    2.41, 3.49 A)
 &rst
  ixpk= 93, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 809, 810, 811,
 &end
#
#   51 GLU  HN           50 VAL  HN          5.50    (#     94:15  Preassigned    4.26, 4.34 A)
 &rst
  ixpk= 94, nxpk= 15, iat= 784, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  QG1          51 VAL  HN          5.50    (#     95:15  Preassigned    3.99, 4.71 A)
 &rst
  ixpk= 95, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#   52 LYS  HN           51 VAL  HN          5.50    (#     96:15  Preassigned    3.92, 4.28 A)
 &rst
  ixpk= 96, nxpk= 15, iat= 815, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 GLU  HN           42 ALA  HN          5.50    (#     97:15  Preassigned    4.87, 4.90 A)
 &rst
  ixpk= 97, nxpk= 15, iat= 391, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 ASP  HN           42 ALA  HN          4.50    (#     98:15  Preassigned    4.31, 4.40 A)
 &rst
  ixpk= 98, nxpk= 15, iat= 673, 663, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HN           42 ALA  HN          5.50    (#    100:15  Preassigned    3.15, 3.26 A)
 &rst
  ixpk= 100, nxpk= 15, iat= 374, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 VAL  HA           41 ALA  HN          2.80    (#    101:15  Preassigned    2.29, 2.31 A)
 &rst
  ixpk= 101, nxpk= 15, iat= 649, 663, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   27 GLU  HA           42 ALA  HN          4.50    (#    102:15  Preassigned    3.86, 3.93 A)
 &rst
  ixpk= 102, nxpk= 15, iat= 393, 663, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 ALA  HA           42 ALA  HN          3.50    (#    103:15  Preassigned    2.80, 2.83 A)
 &rst
  ixpk= 103, nxpk= 15, iat= 665, 663, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 VAL  HB           41 ALA  HN          3.50    (#    104:15  Preassigned    2.49, 2.58 A)
 &rst
  ixpk= 104, nxpk= 15, iat= 651, 663, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ALA  QB           42 ALA  HN          2.80    (#    106:15  Preassigned    2.41, 2.83 A)
 &rst
  ixpk= 106, nxpk= 15, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 667, 668, 669,
 &end
#
#   28 VAL  QG2          42 ALA  HN          4.50    (#    108:15  Preassigned    2.81, 3.81 A)
 &rst
  ixpk= 108, nxpk= 15, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 416, 417, 418,
 &end
#
#   28 VAL  QG1          42 ALA  HN          4.50    (#    110:15  Preassigned    2.52, 3.57 A)
 &rst
  ixpk= 110, nxpk= 15, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 412, 413, 414,
 &end
#
#   73 GLN  HA           73 GLN  HN          4.50    (#    114:15  Preassigned    2.23, 2.84 A)
 &rst
  ixpk= 114, nxpk= 15, iat=1139,1137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 THR  HA           72 GLN  HN          3.50    (#    115:15  Preassigned    2.22, 2.82 A)
 &rst
  ixpk= 115, nxpk= 15, iat=1125,1137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 THR  HB           72 GLN  HN          5.50    (#    116:15  Preassigned    2.39, 3.20 A)
 &rst
  ixpk= 116, nxpk= 15, iat=1127,1137, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 GLN  HB-          73 GLN  HN          5.50    (#    117:15  Preassigned    2.33, 3.40 A)
 &rst
  ixpk= 117, nxpk= 15, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1141,1142,
 &end
#
#   71 SER  HA           73 GLN  HN          5.50    (#    118:15  Preassigned    3.09, 5.44 A)
 &rst
  ixpk= 118, nxpk= 15, iat=1114,1137, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:119     38 ILE  HN          5.50    (#    119:15  Single Ambig)
 &rst
  ixpk= 119, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 580, 485,
 &end
#
#   32 GLU  HA           38 ILE  HN          5.50    (#    120:15  Preassigned    3.94, 4.08 A)
 &rst
  ixpk= 120, nxpk= 15, iat= 472, 595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  QD1          38 ILE  HN          5.50    (#    121:15  Preassigned    2.61, 5.05 A)
 &rst
  ixpk= 121, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#   31 LEU  HN           38 ILE  HN          4.50    (#    122:15  Preassigned    3.00, 3.09 A)
 &rst
  ixpk= 122, nxpk= 15, iat= 451, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:123     38 ILE  HN          2.80    (#    123:15  Single Ambig)
 &rst
  ixpk= 123, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 599, 584, 585,
 &end
#
#   38 ILE  HG1-         38 ILE  HN          4.50    (#    124:15  Preassigned    2.81, 3.42 A)
 &rst
  ixpk= 124, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 605, 606,
 &end
#
#   30 ILE  QG2          38 ILE  HN          3.50    (#    125:15  Preassigned    3.15, 3.68 A)
 &rst
  ixpk= 125, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 438, 439, 440,
 &end
#
#   38 ILE  QG2          38 ILE  HN          5.50    (#    126:15  Preassigned    4.57, 4.85 A)
 &rst
  ixpk= 126, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 601, 602, 603,
 &end
#
#   38 GLU  HA           37 ILE  HN          2.80    (#    127:15  Preassigned    2.17, 2.23 A)
 &rst
  ixpk= 127, nxpk= 15, iat= 582, 595, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:128     38 ILE  HN          5.50    (#    128:15  Single Ambig)
 &rst
  ixpk= 128, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 587, 588, 568,
 &end
#
#   31 LEU  HB3          38 ILE  HN          4.50    (#    129:15  Preassigned    4.00, 4.11 A)
 &rst
  ixpk= 129, nxpk= 15, iat= 456, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ILE  HG1+         38 ILE  HN          3.50    (#    130:15  Preassigned    2.81, 3.42 A)
 &rst
  ixpk= 130, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 605, 606,
 &end
#
#    0 AMB  15-3:131     68 LEU  HN          5.50    (#    131:15  Single Ambig)
 &rst
  ixpk= 131, nxpk= 15, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#   68 LEU  HG           68 LEU  HN          3.50    (#    132:15  Preassigned    2.71, 2.87 A)
 &rst
  ixpk= 132, nxpk= 15, iat=1075,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 LEU  HA           68 LEU  HN          4.50    (#    133:15  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 133, nxpk= 15, iat=1070,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 GLU  HA           67 LEU  HN          2.80    (#    135:15  Preassigned    2.18, 2.26 A)
 &rst
  ixpk= 135, nxpk= 15, iat=1055,1068, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 VAL  HA           68 LEU  HN          5.50    (#    136:15  Preassigned    5.00, 5.09 A)
 &rst
  ixpk= 136, nxpk= 15, iat= 748,1068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 GLU  HB2          67 LEU  HN          4.50    (#    137:15  Preassigned    3.97, 4.17 A)
 &rst
  ixpk= 137, nxpk= 15, iat=1057,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:138     68 LEU  HN          4.50    (#    138:15  Single Ambig)
 &rst
  ixpk= 138, nxpk= 15, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1073, 772, 773,
 &end
#
#   68 LEU  QD2          68 LEU  HN          5.50    (#    139:15  Preassigned    3.76, 4.57 A)
 &rst
  ixpk= 139, nxpk= 15, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1081,1082,1083,
 &end
#
#    0 AMB  15-3:140     41 VAL  HN          5.50    (#    140:15  Single Ambig)
 &rst
  ixpk= 140, nxpk= 15, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 673, 367,
 &end
#
#   41 VAL  HA           41 VAL  HN          5.50    (#    141:15  Preassigned    2.95, 2.95 A)
 &rst
  ixpk= 141, nxpk= 15, iat= 649, 647, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:142     41 VAL  HN          3.50    (#    142:15  Single Ambig)
 &rst
  ixpk= 142, nxpk= 15, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 651, 621, 622,
 &end
#
#   41 ILE  HA           40 VAL  HN          2.80    (#    143:15  Preassigned    2.13, 2.16 A)
 &rst
  ixpk= 143, nxpk= 15, iat= 630, 647, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:145     41 VAL  HN          3.50    (#    145:15  Single Ambig)
 &rst
  ixpk= 145, nxpk= 15, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 634, 635, 636, 641, 642, 643,
 &end
#
#    0 AMB  15-3:147      6 GLN  HN          5.50    (#    147:15  Single Ambig)
 &rst
  ixpk= 147, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  85,  86,  49,
 &end
#
#   62 GLY  HN            6 GLN  HN          5.50    (#    148:15  Preassigned    4.35, 4.45 A)
 &rst
  ixpk= 148, nxpk= 15, iat= 980,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HN            6 GLN  HN          3.50    (#    149:15  Preassigned    2.05, 2.14 A)
 &rst
  ixpk= 149, nxpk= 15, iat=  81,  64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 GLN  HA            6 GLN  HN          3.50    (#    151:15  Preassigned    2.97, 2.98 A)
 &rst
  ixpk= 151, nxpk= 15, iat=  66,  64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 ILE  HA            5 GLN  HN          2.80    (#    152:15  Preassigned    2.30, 2.34 A)
 &rst
  ixpk= 152, nxpk= 15, iat=  47,  64, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    6 GLN  HG+           6 GLN  HN          4.50    (#    153:15  Preassigned    2.06, 3.35 A)
 &rst
  ixpk= 153, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  71,  72,
 &end
#
#    6 GLN  HG-           6 GLN  HN          3.50    (#    154:15  Preassigned    2.06, 3.35 A)
 &rst
  ixpk= 154, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  71,  72,
 &end
#
#    0 AMB  15-3:155      6 GLN  HN          5.50    (#    155:15  Single Ambig)
 &rst
  ixpk= 155, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 972, 973, 939,
 &end
#
#    6 GLN  HB3           6 GLN  HN          3.50    (#    156:15  Preassigned    2.91, 2.98 A)
 &rst
  ixpk= 156, nxpk= 15, iat=  69,  64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 ILE  QG2           5 GLN  HN          3.50    (#    157:15  Preassigned    2.13, 2.87 A)
 &rst
  ixpk= 157, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  15-3:158      6 GLN  HN          4.50    (#    158:15  Single Ambig)
 &rst
  ixpk= 158, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 641, 642, 643,  58,  59,  60, 634, 635, 636,
 &end
#
#   48 ILE  HN           47 VAL  HN          5.50    (#    160:15  Preassigned    4.24, 4.40 A)
 &rst
  ixpk= 160, nxpk= 15, iat= 727, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HN           48 VAL  HN          5.50    (#    161:15  Preassigned    2.93, 3.64 A)
 &rst
  ixpk= 161, nxpk= 15, iat= 282, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HA           48 VAL  HN          5.50    (#    162:15  Preassigned    4.73, 4.80 A)
 &rst
  ixpk= 162, nxpk= 15, iat= 284, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 VAL  HA           48 VAL  HN          3.50    (#    163:15  Preassigned    2.85, 2.88 A)
 &rst
  ixpk= 163, nxpk= 15, iat= 748, 746, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  HB           48 VAL  HN          2.80    (#    164:15  Preassigned    2.36, 2.41 A)
 &rst
  ixpk= 164, nxpk= 15, iat= 750, 746, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:165     48 VAL  HN          4.50    (#    165:15  Single Ambig)
 &rst
  ixpk= 165, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 731,1073, 766,
 &end
#
#    0 AMB  15-3:166     48 VAL  HN          5.50    (#    166:15  Single Ambig)
 &rst
  ixpk= 166, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 737, 738,1072,
 &end
#
#    0 AMB  15-3:167     48 VAL  HN          4.50    (#    167:15  Single Ambig)
 &rst
  ixpk= 167, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 321, 322, 737, 738,
 &end
#
#   48 VAL  QG2          48 VAL  HN          2.80    (#    168:15  Preassigned    2.14, 3.09 A)
 &rst
  ixpk= 168, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 756, 757, 758,
 &end
#
#    0 AMB  15-3:169     48 VAL  HN          4.50    (#    169:15  Single Ambig)
 &rst
  ixpk= 169, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 740, 741, 742,1043,1044,1045,1047,1048,1049,1043,
      1044,1045,1047,1048,1049,
 &end
#
#   48 ILE  QG2          47 VAL  HN          3.50    (#    170:15  Preassigned    2.83, 3.50 A)
 &rst
  ixpk= 170, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 733, 734, 735,
 &end
#
#   68 LEU  QD2          48 VAL  HN          4.50    (#    171:15  Preassigned    3.79, 4.72 A)
 &rst
  ixpk= 171, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1081,1082,1083,
 &end
#
#   49 LYS  HN           48 VAL  HN          5.50    (#    172:15  Preassigned    4.47, 4.54 A)
 &rst
  ixpk= 172, nxpk= 15, iat= 762, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 ILE  HA           47 VAL  HN          2.80    (#    173:15  Preassigned    2.14, 2.20 A)
 &rst
  ixpk= 173, nxpk= 15, iat= 729, 746, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   20 ASP  HB3          48 VAL  HN          5.50    (#    174:15  Preassigned    3.85, 4.00 A)
 &rst
  ixpk= 174, nxpk= 15, iat= 287, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HN           11 LEU  HN          4.50    (#    177:15  Preassigned    3.61, 3.75 A)
 &rst
  ixpk= 177, nxpk= 15, iat= 148, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    11 ASN  HB2          10 LEU  HN          4.50    (#    179:15  Preassigned    3.99, 4.15 A)
 &rst
  ixpk= 179, nxpk= 15, iat= 119, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 VAL  QG2          11 LEU  HN          3.50    (#    182:15  Preassigned    2.51, 3.43 A)
 &rst
  ixpk= 182, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 945, 946, 947,
 &end
#
#   57 ASP  HN           11 LEU  HN          5.50    (#    183:15  Preassigned    3.49, 3.63 A)
 &rst
  ixpk= 183, nxpk= 15, iat= 903, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    11 ASN  HA           10 LEU  HN          2.80    (#    184:15  Preassigned    2.18, 2.22 A)
 &rst
  ixpk= 184, nxpk= 15, iat= 117, 129, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 PHE  HA           11 LEU  HN          4.50    (#    185:15  Preassigned    3.59, 3.75 A)
 &rst
  ixpk= 185, nxpk= 15, iat= 917, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HA           11 LEU  HN          4.50    (#    186:15  Preassigned    2.87, 2.88 A)
 &rst
  ixpk= 186, nxpk= 15, iat= 131, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    11 ASN  HB3          10 LEU  HN          4.50    (#    187:15  Preassigned    2.96, 3.23 A)
 &rst
  ixpk= 187, nxpk= 15, iat= 120, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HB3          11 LEU  HN          3.50    (#    188:15  Preassigned    2.52, 2.63 A)
 &rst
  ixpk= 188, nxpk= 15, iat= 134, 129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LEU  HB2          11 LEU  HN          2.80    (#    189:15  Preassigned    2.20, 2.31 A)
 &rst
  ixpk= 189, nxpk= 15, iat= 133, 129, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 LEU  HG           11 LEU  HN          4.50    (#    190:15  Preassigned    4.09, 4.49 A)
 &rst
  ixpk= 190, nxpk= 15, iat= 136, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 VAL  QG1          11 LEU  HN          5.50    (#    191:15  Preassigned    3.58, 4.61 A)
 &rst
  ixpk= 191, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 941, 942, 943,
 &end
#
#   11 LEU  QD-          11 LEU  HN          4.50    (#    192:15  Preassigned    2.75, 4.98 A)
 &rst
  ixpk= 192, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   66 LEU  HN           65 LEU  HN          3.50    (#    193:15  Preassigned    1.92, 2.01 A)
 &rst
  ixpk= 193, nxpk= 15, iat=1034,1015, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 SER  HA           65 LEU  HN          3.50    (#    194:15  Preassigned    2.47, 2.63 A)
 &rst
  ixpk= 194, nxpk= 15, iat=  36,1015, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 LEU  HA           65 LEU  HN          4.50    (#    195:15  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 195, nxpk= 15, iat=1017,1015, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 VAL  HA           64 LEU  HN          2.80    (#    196:15  Preassigned    2.24, 2.32 A)
 &rst
  ixpk= 196, nxpk= 15, iat=1001,1015, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   65 VAL  HB           64 LEU  HN          5.50    (#    197:15  Preassigned    2.58, 2.65 A)
 &rst
  ixpk= 197, nxpk= 15, iat=1003,1015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HB3          65 LEU  HN          3.50    (#    198:15  Preassigned    2.57, 2.67 A)
 &rst
  ixpk= 198, nxpk= 15, iat=1020,1015, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:199     65 LEU  HN          4.50    (#    199:15  Single Ambig)
 &rst
  ixpk= 199, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  55,  56,1022,
 &end
#
#    0 AMB  15-3:200     65 LEU  HN          3.50    (#    200:15  Single Ambig)
 &rst
  ixpk= 200, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1019, 822, 823,
 &end
#
#   65 VAL  QG2          64 LEU  HN          4.50    (#    201:15  Preassigned    4.13, 4.73 A)
 &rst
  ixpk= 201, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1009,1010,1011,
 &end
#
#    3 VAL  QG2          65 LEU  HN          7.00    (#    202:15  Preassigned    5.92, 6.67 A)
 &rst
  ixpk= 202, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  28,  29,  30,
 &end
#
#    0 AMB  15-3:203     65 LEU  HN          3.50    (#    203:15  Single Ambig)
 &rst
  ixpk= 203, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1005,1006,1007,1043,1044,1045,1047,1048,1049,
 &end
#
#    3 VAL  HB           65 LEU  HN          5.50    (#    204:15  Preassigned    4.35, 4.48 A)
 &rst
  ixpk= 204, nxpk= 15, iat=  22,1015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HA           32 GLU  HN          4.50    (#    205:15  Preassigned    2.94, 2.95 A)
 &rst
  ixpk= 205, nxpk= 15, iat= 472, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLU  HB3          32 GLU  HN          3.50    (#    207:15  Preassigned    2.30, 2.32 A)
 &rst
  ixpk= 207, nxpk= 15, iat= 475, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLU  HG+          32 GLU  HN          5.50    (#    208:15  Preassigned    4.41, 4.59 A)
 &rst
  ixpk= 208, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 478,
 &end
#
#    0 AMB  15-3:209     32 GLU  HN          3.50    (#    209:15  Single Ambig)
 &rst
  ixpk= 209, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 458, 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  15-3:210     32 GLU  HN          3.50    (#    210:15  Single Ambig)
 &rst
  ixpk= 210, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 148, 115,
 &end
#
#   33 SER  HA           32 GLU  HN          5.50    (#    211:15  Preassigned    4.84, 4.86 A)
 &rst
  ixpk= 211, nxpk= 15, iat= 487, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HA           32 GLU  HN          4.50    (#    212:15  Preassigned    3.54, 3.61 A)
 &rst
  ixpk= 212, nxpk= 15, iat= 131, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HB2          32 GLU  HN          5.50    (#    213:15  Preassigned    3.72, 3.79 A)
 &rst
  ixpk= 213, nxpk= 15, iat= 119, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 LEU  HB3          31 GLU  HN          4.50    (#    214:15  Preassigned    3.13, 3.23 A)
 &rst
  ixpk= 214, nxpk= 15, iat= 456, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:215     32 GLU  HN          3.50    (#    215:15  Single Ambig)
 &rst
  ixpk= 215, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 474, 455,
 &end
#
#    0 AMB  15-3:216     32 GLU  HN          5.50    (#    216:15  Single Ambig)
 &rst
  ixpk= 216, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 451, 496,
 &end
#
#   12 TRP  HB2          32 GLU  HN          5.50    (#    217:15  Preassigned    2.66, 2.72 A)
 &rst
  ixpk= 217, nxpk= 15, iat= 152, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 VAL  QG1           3 SER  HN          4.50    (#    218:15  Preassigned    2.26, 3.15 A)
 &rst
  ixpk= 218, nxpk= 15, iat=  -1,  34, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  24,  25,  26,
 &end
#
#    4 VAL  HA            3 SER  HN          2.80    (#    220:15  Preassigned    2.27, 2.31 A)
 &rst
  ixpk= 220, nxpk= 15, iat=  20,  34, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:221      4 SER  HN          3.50    (#    221:15  Single Ambig)
 &rst
  ixpk= 221, nxpk= 15, iat=  -1,  34, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  38,  39,
 &end
#
#    4 VAL  QG2           3 SER  HN          4.50    (#    222:15  Preassigned    4.57, 5.10 A)
 &rst
  ixpk= 222, nxpk= 15, iat=  -1,  34, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  28,  29,  30,
 &end
#
#    5 ILE  HN            4 SER  HN          4.50    (#    223:15  Preassigned    4.35, 4.37 A)
 &rst
  ixpk= 223, nxpk= 15, iat=  45,  34, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 SER  HA            4 SER  HN          4.50    (#    224:15  Preassigned    2.96, 2.96 A)
 &rst
  ixpk= 224, nxpk= 15, iat=  36,  34, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLU  HN           52 LYS  HN          4.50    (#    226:15  Preassigned    4.05, 4.33 A)
 &rst
  ixpk= 226, nxpk= 15, iat=1053, 815, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  HN           52 LYS  HN          2.80    (#    227:15  Preassigned    2.52, 2.60 A)
 &rst
  ixpk= 227, nxpk= 15, iat= 837, 815, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   66 LEU  HA           52 LYS  HN          3.50    (#    228:15  Preassigned    2.52, 2.72 A)
 &rst
  ixpk= 228, nxpk= 15, iat=1036, 815, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:229     52 LYS  HN          2.80    (#    229:15  Single Ambig)
 &rst
  ixpk= 229, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 801, 817,
 &end
#
#    0 AMB  15-3:230     52 LYS  HN          3.50    (#    230:15  Single Ambig)
 &rst
  ixpk= 230, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 820,1057,
 &end
#
#    0 AMB  15-3:231     52 LYS  HN          5.50    (#    231:15  Single Ambig)
 &rst
  ixpk= 231, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1003, 788,
 &end
#
#   52 LYS  HB2          52 LYS  HN          2.80    (#    232:15  Preassigned    2.43, 2.48 A)
 &rst
  ixpk= 232, nxpk= 15, iat= 819, 815, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   53 LYS  HD+          52 LYS  HN          7.00    (#    233:15  Preassigned    6.06, 6.65 A)
 &rst
  ixpk= 233, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 847, 848,
 &end
#
#    0 AMB  15-3:234     52 LYS  HN          4.50    (#    234:15  Single Ambig)
 &rst
  ixpk= 234, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 825, 826,1041,
 &end
#
#    0 AMB  15-3:235     52 LYS  HN          5.50    (#    235:15  Single Ambig)
 &rst
  ixpk= 235, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 841,1022,
 &end
#
#   52 LYS  HG+          52 LYS  HN          3.50    (#    236:15  Preassigned    2.23, 3.04 A)
 &rst
  ixpk= 236, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 822, 823,
 &end
#
#    0 AMB  15-3:237     52 LYS  HN          4.50    (#    237:15  Single Ambig)
 &rst
  ixpk= 237, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 844, 845, 200, 201, 202,
 &end
#
#    0 AMB  15-3:238     52 LYS  HN          3.50    (#    238:15  Single Ambig)
 &rst
  ixpk= 238, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,1024,1025,1026,1028,1029,1030,
 &end
#
#   41 VAL  HA           40 ILE  HN          5.50    (#    240:15  Preassigned    4.52, 4.61 A)
 &rst
  ixpk= 240, nxpk= 15, iat= 649, 628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HA           40 ILE  HN          3.50    (#    241:15  Preassigned    2.74, 2.84 A)
 &rst
  ixpk= 241, nxpk= 15, iat= 434, 628, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 LEU  HN           40 ILE  HN          5.50    (#    242:15  Preassigned    4.38, 4.49 A)
 &rst
  ixpk= 242, nxpk= 15, iat= 451, 628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HN           40 ILE  HN          5.50    (#    243:15  Preassigned    3.95, 4.07 A)
 &rst
  ixpk= 243, nxpk= 15, iat= 406, 628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 ALA  HN           40 ILE  HN          4.50    (#    245:15  Preassigned    3.15, 3.20 A)
 &rst
  ixpk= 245, nxpk= 15, iat= 422, 628, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLU  HG+          40 ILE  HN          4.50    (#    246:15  Preassigned    3.08, 3.88 A)
 &rst
  ixpk= 246, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#   27 GLU  HG-          40 ILE  HN          5.50    (#    247:15  Preassigned    3.08, 3.88 A)
 &rst
  ixpk= 247, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 398, 399,
 &end
#
#   40 PRO  HB-          39 ILE  HN          4.50    (#    248:15  Preassigned    2.78, 3.39 A)
 &rst
  ixpk= 248, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 621, 622,
 &end
#
#   40 ILE  HG1-         40 ILE  HN          4.50    (#    249:15  Preassigned    2.67, 3.47 A)
 &rst
  ixpk= 249, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 638, 639,
 &end
#
#   40 PRO  HA           39 ILE  HN          2.80    (#    251:15  Preassigned    2.29, 2.32 A)
 &rst
  ixpk= 251, nxpk= 15, iat= 624, 628, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   40 ILE  HA           40 ILE  HN          4.50    (#    252:15  Preassigned    2.96, 2.97 A)
 &rst
  ixpk= 252, nxpk= 15, iat= 630, 628, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 PRO  HB+          39 ILE  HN          4.50    (#    253:15  Preassigned    2.78, 3.39 A)
 &rst
  ixpk= 253, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 621, 622,
 &end
#
#   40 ILE  HB           40 ILE  HN          2.80    (#    254:15  Preassigned    2.69, 2.75 A)
 &rst
  ixpk= 254, nxpk= 15, iat= 632, 628, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   40 ILE  HG1+         40 ILE  HN          3.50    (#    255:15  Preassigned    2.67, 3.47 A)
 &rst
  ixpk= 255, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 638, 639,
 &end
#
#    0 AMB  15-3:256     40 ILE  HN          4.50    (#    256:15  Single Ambig)
 &rst
  ixpk= 256, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 442, 443, 438, 439, 440,
 &end
#
#   41 VAL  QG2          40 ILE  HN          5.50    (#    257:15  Unique         5.61, 6.55 A)
 &rst
  ixpk= 257, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 657, 658, 659,
 &end
#
#    0 AMB  15-3:258     40 ILE  HN          3.50    (#    258:15  Single Ambig)
 &rst
  ixpk= 258, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 641, 642, 643, 634, 635, 636,
 &end
#
#    0 AMB  15-3:259     40 ILE  HN          5.50    (#    259:15  Single Ambig)
 &rst
  ixpk= 259, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 618, 619, 396,
 &end
#
#   55 GLU  QB           14 VAL  HN          5.50    (#    261:15  Preassigned    2.52, 4.72 A)
 &rst
  ixpk= 261, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 885, 886,
 &end
#
#    0 AMB  15-3:262     14 VAL  HN          5.50    (#    262:15  Single Ambig)
 &rst
  ixpk= 262, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 426, 427, 428, 442, 443,
 &end
#
#   14 LYS  HA           13 VAL  HN          2.80    (#    263:15  Preassigned    2.32, 2.35 A)
 &rst
  ixpk= 263, nxpk= 15, iat= 174, 194, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   14 VAL  HA           14 VAL  HN          3.50    (#    264:15  Preassigned    2.93, 2.94 A)
 &rst
  ixpk= 264, nxpk= 15, iat= 196, 194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   55 GLU  HG+          14 VAL  HN          4.50    (#    265:15  Preassigned    2.10, 2.67 A)
 &rst
  ixpk= 265, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 888, 889,
 &end
#
#   14 VAL  HB           14 VAL  HN          2.80    (#    266:15  Preassigned    2.74, 2.78 A)
 &rst
  ixpk= 266, nxpk= 15, iat= 198, 194, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   55 GLU  HG-          14 VAL  HN          3.50    (#    267:15  Preassigned    2.10, 2.67 A)
 &rst
  ixpk= 267, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 888, 889,
 &end
#
#   14 LYS  HB3          13 VAL  HN          3.50    (#    268:15  Preassigned    2.40, 2.44 A)
 &rst
  ixpk= 268, nxpk= 15, iat= 177, 194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 VAL  QG1          14 VAL  HN          4.50    (#    269:15  Unique         4.40, 4.75 A)
 &rst
  ixpk= 269, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 200, 201, 202,
 &end
#
#   14 LYS  HB2          13 VAL  HN          4.50    (#    270:15  Preassigned    3.66, 3.70 A)
 &rst
  ixpk= 270, nxpk= 15, iat= 176, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 VAL  QG2          14 VAL  HN          3.50    (#    271:15  Preassigned    3.19, 3.93 A)
 &rst
  ixpk= 271, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 204, 205, 206,
 &end
#
#   14 LYS  HG-          13 VAL  HN          5.50    (#    272:15  Preassigned    3.67, 4.37 A)
 &rst
  ixpk= 272, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#    0 AMB  15-3:273     14 VAL  HN          5.50    (#    273:15  Single Ambig)
 &rst
  ixpk= 273, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 134, 436, 863, 864,
 &end
#
#   15 VAL  HN           14 HID  HN          5.50    (#    274:15  Preassigned    4.20, 4.22 A)
 &rst
  ixpk= 274, nxpk= 15, iat= 194, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HN           15 HID  HN          3.50    (#    276:15  Preassigned    2.16, 2.22 A)
 &rst
  ixpk= 276, nxpk= 15, iat= 227, 210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 HID  HD2          15 HID  HN          5.50    (#    277:15  Preassigned    3.34, 3.41 A)
 &rst
  ixpk= 277, nxpk= 15, iat= 223, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HA           15 HID  HN          3.50    (#    278:15  Preassigned    2.98, 2.98 A)
 &rst
  ixpk= 278, nxpk= 15, iat= 212, 210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 VAL  HA           15 HID  HN          5.50    (#    279:15  Preassigned    3.50, 3.57 A)
 &rst
  ixpk= 279, nxpk= 15, iat= 408, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 VAL  HA           14 HID  HN          2.80    (#    280:15  Preassigned    2.19, 2.21 A)
 &rst
  ixpk= 280, nxpk= 15, iat= 196, 210, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   15 HID  HB3          15 HID  HN          4.50    (#    281:15  Preassigned    3.81, 3.82 A)
 &rst
  ixpk= 281, nxpk= 15, iat= 215, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HB2          15 HID  HN          3.50    (#    282:15  Preassigned    2.68, 2.72 A)
 &rst
  ixpk= 282, nxpk= 15, iat= 214, 210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:283     15 HID  HN          5.50    (#    283:15  Single Ambig)
 &rst
  ixpk= 283, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 410, 231, 888, 889,
 &end
#
#    0 AMB  15-3:284     15 HID  HN          5.50    (#    284:15  Single Ambig)
 &rst
  ixpk= 284, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 198, 398, 399,
 &end
#
#   29 ALA  QB           15 HID  HN          4.50    (#    285:15  Preassigned    3.61, 4.63 A)
 &rst
  ixpk= 285, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 426, 427, 428,
 &end
#
#    0 AMB  15-3:286     15 HID  HN          5.50    (#    286:15  Single Ambig)
 &rst
  ixpk= 286, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 177, 136,
 &end
#
#   17 LYS  HG-          15 HID  HN          7.00    (#    287:15  Preassigned    6.52, 7.39 A)
 &rst
  ixpk= 287, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 250, 251,
 &end
#
#   15 VAL  QG1          14 HID  HN          3.50    (#    288:15  Preassigned    2.70, 3.22 A)
 &rst
  ixpk= 288, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 200, 201, 202,
 &end
#
#   16 VAL  QG1          15 HID  HN          4.50    (#    289:15  Preassigned    3.71, 4.83 A)
 &rst
  ixpk= 289, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 233, 234, 235,
 &end
#
#   16 VAL  QG2          15 HID  HN          3.50    (#    291:15  Preassigned    2.63, 3.69 A)
 &rst
  ixpk= 291, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 237, 238, 239,
 &end
#
#    0 AMB  15-3:292     15 HID  HN          5.50    (#    292:15  Single Ambig)
 &rst
  ixpk= 292, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1024,1025,1026,1028,1029,1030, 412, 413, 414,
 &end
#
#   44 ARG  HN           43 ASP  HN          3.50    (#    293:15  Preassigned    2.67, 2.77 A)
 &rst
  ixpk= 293, nxpk= 15, iat= 685, 673, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   43 ALA  HA           42 ASP  HN          2.80    (#    294:15  Preassigned    2.12, 2.18 A)
 &rst
  ixpk= 294, nxpk= 15, iat= 665, 673, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   43 ASP  HB3          43 ASP  HN          4.50    (#    295:15  Preassigned    2.45, 2.53 A)
 &rst
  ixpk= 295, nxpk= 15, iat= 678, 673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 SER  HA            4 ILE  HN          2.80    (#    296:15  Preassigned    2.21, 2.26 A)
 &rst
  ixpk= 296, nxpk= 15, iat=  36,  45, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 ILE  HA            5 ILE  HN          4.50    (#    297:15  Preassigned    2.89, 2.90 A)
 &rst
  ixpk= 297, nxpk= 15, iat=  47,  45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 VAL  HA            5 ILE  HN          4.50    (#    298:15  Preassigned    3.51, 3.63 A)
 &rst
  ixpk= 298, nxpk= 15, iat=1001,  45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:299      5 ILE  HN          3.50    (#    299:15  Single Ambig)
 &rst
  ixpk= 299, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  39,  38,
 &end
#
#    5 ILE  HB            5 ILE  HN          2.80    (#    300:15  Preassigned    2.24, 2.30 A)
 &rst
  ixpk= 300, nxpk= 15, iat=  49,  45, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 ILE  HG1-          5 ILE  HN          3.50    (#    301:15  Preassigned    2.07, 2.97 A)
 &rst
  ixpk= 301, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  55,  56,
 &end
#
#   65 LEU  HB2           5 ILE  HN          5.50    (#    302:15  Preassigned    2.93, 3.42 A)
 &rst
  ixpk= 302, nxpk= 15, iat=1019,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 ILE  HG1+          5 ILE  HN          3.50    (#    303:15  Preassigned    2.07, 2.97 A)
 &rst
  ixpk= 303, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  55,  56,
 &end
#
#    5 ILE  QG2           5 ILE  HN          4.50    (#    304:15  Preassigned    4.20, 4.46 A)
 &rst
  ixpk= 304, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  51,  52,  53,
 &end
#
#    5 ILE  QD1           5 ILE  HN          4.50    (#    305:15  Unique         2.12, 4.24 A)
 &rst
  ixpk= 305, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  58,  59,  60,
 &end
#
#   27 GLU  HN           26 GLN  HN          4.50    (#    308:15  Preassigned    4.56, 4.59 A)
 &rst
  ixpk= 308, nxpk= 15, iat= 391, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLY  HN           25 GLN  HN          3.50    (#    309:15  Preassigned    2.58, 2.69 A)
 &rst
  ixpk= 309, nxpk= 15, iat= 367, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ALA  HN           26 GLN  HN          5.50    (#    310:15  Preassigned    3.15, 3.26 A)
 &rst
  ixpk= 310, nxpk= 15, iat= 663, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLY  HA+          25 GLN  HN          4.50    (#    312:15  Preassigned    3.36, 3.40 A)
 &rst
  ixpk= 312, nxpk= 15, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 369, 370,
 &end
#
#   26 GLN  HA           26 GLN  HN          3.50    (#    313:15  Preassigned    2.91, 2.92 A)
 &rst
  ixpk= 313, nxpk= 15, iat= 376, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 GLY  HA-          25 GLN  HN          4.50    (#    314:15  Preassigned    3.36, 3.40 A)
 &rst
  ixpk= 314, nxpk= 15, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 369, 370,
 &end
#
#   26 GLN  HG+          26 GLN  HN          4.50    (#    315:15  Preassigned    4.33, 4.46 A)
 &rst
  ixpk= 315, nxpk= 15, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 381, 382,
 &end
#
#   26 GLN  HB2          26 GLN  HN          2.80    (#    316:15  Preassigned    2.33, 2.44 A)
 &rst
  ixpk= 316, nxpk= 15, iat= 378, 374, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 GLN  HB3          26 GLN  HN          2.80    (#    317:15  Preassigned    2.44, 2.52 A)
 &rst
  ixpk= 317, nxpk= 15, iat= 379, 374, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   42 ALA  QB           26 GLN  HN          3.50    (#    318:15  Preassigned    2.42, 3.59 A)
 &rst
  ixpk= 318, nxpk= 15, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 667, 668, 669,
 &end
#
#    0 AMB  15-3:320     43 ASP  HN          5.50    (#    320:15  Single Ambig)
 &rst
  ixpk= 320, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 663, 647,
 &end
#
#    0 AMB  15-3:321     43 ASP  HN          5.50    (#    321:15  Single Ambig)
 &rst
  ixpk= 321, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  20, 687,
 &end
#
#   43 ASP  HB2          43 ASP  HN          4.50    (#    324:15  Preassigned    2.47, 2.53 A)
 &rst
  ixpk= 324, nxpk= 15, iat= 677, 673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ALA  QB           42 ASP  HN          4.50    (#    325:15  Preassigned    3.49, 4.19 A)
 &rst
  ixpk= 325, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 667, 668, 669,
 &end
#
#    3 VAL  QG1          43 ASP  HN          4.50    (#    326:15  Preassigned    2.17, 2.98 A)
 &rst
  ixpk= 326, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  24,  25,  26,
 &end
#
#    3 VAL  QG2          43 ASP  HN          5.50    (#    327:15  Preassigned    2.75, 3.70 A)
 &rst
  ixpk= 327, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  28,  29,  30,
 &end
#
#   65 LEU  HN            5 ILE  HN          4.50    (#    329:15  Preassigned    4.19, 4.33 A)
 &rst
  ixpk= 329, nxpk= 15, iat=1015,  45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLY  HN           59 VAL  HN          3.50    (#    330:15  Preassigned    3.33, 3.38 A)
 &rst
  ixpk= 330, nxpk= 15, iat= 108, 935, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 VAL  QG1           0 AMB  15-1:331    3.50    (#    331:15  Single Ambig)
 &rst
  ixpk= 331, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 941, 942, 943,
 igr2= 935, 915,
 &end
#
#   59 VAL  HA           59 VAL  HN          3.50    (#    332:15  Preassigned    2.94, 2.94 A)
 &rst
  ixpk= 332, nxpk= 15, iat= 937, 935, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 ILE  HA           22 GLU  HN          2.80    (#    334:15  Preassigned    2.31, 2.38 A)
 &rst
  ixpk= 334, nxpk= 15, iat= 313, 330, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 GLN  HB2          23 GLU  HN          2.80    (#    335:15  Preassigned    2.66, 2.80 A)
 &rst
  ixpk= 335, nxpk= 15, iat= 378, 330, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 ILE  HB           22 GLU  HN          2.80    (#    336:15  Preassigned    2.29, 2.36 A)
 &rst
  ixpk= 336, nxpk= 15, iat= 315, 330, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   26 GLN  HG+          23 GLU  HN          5.50    (#    339:15  Preassigned    3.58, 4.65 A)
 &rst
  ixpk= 339, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 381, 382,
 &end
#
#   26 GLN  HB3          23 GLU  HN          3.50    (#    340:15  Preassigned    2.36, 2.76 A)
 &rst
  ixpk= 340, nxpk= 15, iat= 379, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 GLU  HB3          23 GLU  HN          3.50    (#    341:15  Preassigned    2.62, 2.74 A)
 &rst
  ixpk= 341, nxpk= 15, iat= 335, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 ILE  HG1-         22 GLU  HN          5.50    (#    343:15  Preassigned    3.49, 4.16 A)
 &rst
  ixpk= 343, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 321, 322,
 &end
#
#   48 VAL  QG2          23 GLU  HN          7.00    (#    344:15  Unique         6.83, 7.46 A)
 &rst
  ixpk= 344, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 756, 757, 758,
 &end
#
#   23 ILE  QG2          22 GLU  HN          4.50    (#    345:15  Preassigned    3.95, 4.52 A)
 &rst
  ixpk= 345, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 317, 318, 319,
 &end
#
#   23 ILE  QD1          22 GLU  HN          5.50    (#    346:15  Preassigned    4.36, 5.20 A)
 &rst
  ixpk= 346, nxpk= 15, iat=  -1, 330, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 324, 325, 326,
 &end
#
#   58 ASP  HN           57 PHE  HN          5.50    (#    347:15  Preassigned    4.60, 4.65 A)
 &rst
  ixpk= 347, nxpk= 15, iat= 903, 915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 ASP  HA           57 PHE  HN          2.80    (#    348:15  Preassigned    2.36, 2.39 A)
 &rst
  ixpk= 348, nxpk= 15, iat= 905, 915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 PHE  HB2          58 PHE  HN          2.80    (#    349:15  Preassigned    2.70, 2.76 A)
 &rst
  ixpk= 349, nxpk= 15, iat= 919, 915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 PHE  HB3          58 PHE  HN          2.80    (#    350:15  Preassigned    2.37, 2.41 A)
 &rst
  ixpk= 350, nxpk= 15, iat= 920, 915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   58 ASP  HB3          57 PHE  HN          3.50    (#    351:15  Preassigned    3.31, 3.53 A)
 &rst
  ixpk= 351, nxpk= 15, iat= 908, 915, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ASP  HB2          57 PHE  HN          4.50    (#    352:15  Preassigned    3.87, 3.99 A)
 &rst
  ixpk= 352, nxpk= 15, iat= 907, 915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 PHE  HD           58 VAL  HN          5.50    (#    353:15  Preassigned    3.23, 3.75 A)
 &rst
  ixpk= 353, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 931,
 &end
#
#    10 ASN  HA           59 VAL  HN          4.50    (#    355:15  Preassigned    3.05, 3.12 A)
 &rst
  ixpk= 355, nxpk= 15, iat= 117, 935, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 PHE  HA            0 AMB  15-1:356    2.80    (#    356:15  Single Ambig)
 &rst
  ixpk= 356, nxpk= 15, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 935, 915,
 &end
#
#    0 AMB  15-3:358     59 VAL  HN          4.50    (#    358:15  Single Ambig)
 &rst
  ixpk= 358, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 939, 507, 508, 509,
 &end
#
#    5 ILE  QG2          59 VAL  HN          5.50    (#    359:15  Preassigned    5.25, 6.30 A)
 &rst
  ixpk= 359, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  15-3:360     59 VAL  HN          5.50    (#    360:15  Single Ambig)
 &rst
  ixpk= 360, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 138, 139, 140, 142, 143, 144, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466,
 &end
#
#   59 VAL  QG2          59 VAL  HN          2.80    (#    362:15  Preassigned    2.51, 3.12 A)
 &rst
  ixpk= 362, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 945, 946, 947,
 &end
#
#   11 LEU  HN            0 AMB  15-1:363    5.50    (#    363:15  Single Ambig)
 &rst
  ixpk= 363, nxpk= 15, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 935, 915,
 &end
#
#    0 AMB  15-3:364     59 VAL  HN          5.50    (#    364:15  Single Ambig)
 &rst
  ixpk= 364, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 138, 139, 140, 142, 143, 144, 460, 461, 462, 464,
       465, 466,
 &end
#
#   55 GLU  HN           57 ASP  HN          5.50    (#    365:15  Preassigned    4.68, 4.72 A)
 &rst
  ixpk= 365, nxpk= 15, iat= 881, 903, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 GLY  HN           56 ASP  HN          3.50    (#    367:15  Preassigned    2.65, 2.71 A)
 &rst
  ixpk= 367, nxpk= 15, iat= 896, 903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 ASP  HA           57 ASP  HN          3.50    (#    370:15  Preassigned    2.87, 2.89 A)
 &rst
  ixpk= 370, nxpk= 15, iat= 905, 903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 GLY  HA+          56 ASP  HN          3.50    (#    371:15  Preassigned    3.28, 3.39 A)
 &rst
  ixpk= 371, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 898, 899,
 &end
#
#   57 GLY  HA-          56 ASP  HN          4.50    (#    372:15  Preassigned    3.28, 3.39 A)
 &rst
  ixpk= 372, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 898, 899,
 &end
#
#   55 GLU  HA           57 ASP  HN          4.50    (#    373:15  Preassigned    3.12, 3.72 A)
 &rst
  ixpk= 373, nxpk= 15, iat= 883, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 PHE  HB3          57 ASP  HN          7.00    (#    374:15  Unique         6.92, 6.96 A)
 &rst
  ixpk= 374, nxpk= 15, iat= 920, 903, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   57 ASP  HB3          57 ASP  HN          2.80    (#    375:15  Preassigned    2.60, 2.68 A)
 &rst
  ixpk= 375, nxpk= 15, iat= 908, 903, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   57 ASP  HB2          57 ASP  HN          3.50    (#    376:15  Preassigned    2.28, 2.43 A)
 &rst
  ixpk= 376, nxpk= 15, iat= 907, 903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:377     57 ASP  HN          4.50    (#    377:15  Single Ambig)
 &rst
  ixpk= 377, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 842, 885, 886,
 &end
#
#   11 LEU  HB3          57 ASP  HN          3.50    (#    378:15  Preassigned    2.65, 2.92 A)
 &rst
  ixpk= 378, nxpk= 15, iat= 134, 903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:379     57 ASP  HN          4.50    (#    379:15  Single Ambig)
 &rst
  ixpk= 379, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 133, 866, 867,
 &end
#
#    0 AMB  15-3:380     57 ASP  HN          4.50    (#    380:15  Single Ambig)
 &rst
  ixpk= 380, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 866, 867, 136,
 &end
#
#    0 AMB  15-3:381     57 ASP  HN          5.50    (#    381:15  Single Ambig)
 &rst
  ixpk= 381, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 205, 206, 941, 942, 943,
 &end
#
#   11 LEU  QD+          57 ASP  HN          5.50    (#    382:15  Preassigned    3.72, 5.95 A)
 &rst
  ixpk= 382, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  QD-          57 ASP  HN          5.50    (#    383:15  Preassigned    3.72, 5.95 A)
 &rst
  ixpk= 383, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   44 ARG  HA           24 LYS  HN          5.50    (#    387:15  Preassigned    3.93, 4.26 A)
 &rst
  ixpk= 387, nxpk= 15, iat= 687, 345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 LYS  HA           24 LYS  HN          3.50    (#    388:15  Preassigned    2.72, 2.76 A)
 &rst
  ixpk= 388, nxpk= 15, iat= 347, 345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 ARG  HB+          24 LYS  HN          7.00    (#    389:15  Preassigned    5.48, 6.12 A)
 &rst
  ixpk= 389, nxpk= 15, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 689, 690,
 &end
#
#   24 LYS  QG           24 LYS  HN          4.50    (#    390:15  Preassigned    4.28, 4.45 A)
 &rst
  ixpk= 390, nxpk= 15, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 352, 353,
 &end
#
#   63 GLY  HN           62 ASP  HN          3.50    (#    393:15  Preassigned    2.56, 2.60 A)
 &rst
  ixpk= 393, nxpk= 15, iat= 980, 987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:394     63 ASP  HN          4.50    (#    394:15  Single Ambig)
 &rst
  ixpk= 394, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 965,
 &end
#
#   64 VAL  HN           63 ASP  HN          4.50    (#    395:15  Preassigned    4.58, 4.59 A)
 &rst
  ixpk= 395, nxpk= 15, iat= 999, 987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ASP  HA           63 ASP  HN          3.50    (#    397:15  Preassigned    2.92, 2.93 A)
 &rst
  ixpk= 397, nxpk= 15, iat= 989, 987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 GLY  HA+          62 ASP  HN          4.50    (#    398:15  Preassigned    3.30, 3.39 A)
 &rst
  ixpk= 398, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 982, 983,
 &end
#
#    0 AMB  15-3:399     63 ASP  HN          4.50    (#    399:15  Single Ambig)
 &rst
  ixpk= 399, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 982, 983,  39,
 &end
#
#   61 GLU  HA           63 ASP  HN          4.50    (#    400:15  Preassigned    3.56, 3.62 A)
 &rst
  ixpk= 400, nxpk= 15, iat= 967, 987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 ASP  HB3          63 ASP  HN          2.80    (#    401:15  Preassigned    2.51, 2.59 A)
 &rst
  ixpk= 401, nxpk= 15, iat= 992, 987, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   60 ASN  HB-          63 ASP  HN          5.50    (#    402:15  Preassigned    4.05, 4.55 A)
 &rst
  ixpk= 402, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 955, 956,
 &end
#
#   63 ASP  HB2          63 ASP  HN          3.50    (#    403:15  Preassigned    2.47, 2.51 A)
 &rst
  ixpk= 403, nxpk= 15, iat= 991, 987, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:404     63 ASP  HN          5.50    (#    404:15  Single Ambig)
 &rst
  ixpk= 404, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 939, 972, 973,
 &end
#
#    5 ILE  HB           63 ASP  HN          4.50    (#    405:15  Preassigned    2.49, 2.96 A)
 &rst
  ixpk= 405, nxpk= 15, iat=  49, 987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ILE  QG2          63 ASP  HN          5.50    (#    406:15  Preassigned    3.94, 4.90 A)
 &rst
  ixpk= 406, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  15-3:407     63 ASP  HN          5.50    (#    407:15  Single Ambig)
 &rst
  ixpk= 407, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  58,  59,  60, 941, 942, 943,1005,1006,1007,
 &end
#
#   45 SER  HB3          24 LYS  HN          4.50    (#    409:15  Preassigned    3.40, 3.51 A)
 &rst
  ixpk= 409, nxpk= 15, iat= 714, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 SER  HB2          24 LYS  HN          4.50    (#    410:15  Preassigned    3.78, 3.88 A)
 &rst
  ixpk= 410, nxpk= 15, iat= 713, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  HB3          24 LYS  HN          2.80    (#    411:15  Preassigned    2.55, 2.62 A)
 &rst
  ixpk= 411, nxpk= 15, iat= 350, 345, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   24 LYS  HB2          24 LYS  HN          2.80    (#    412:15  Preassigned    2.29, 2.37 A)
 &rst
  ixpk= 412, nxpk= 15, iat= 349, 345, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 ILE  HN           29 ALA  HN          5.50    (#    413:15  Preassigned    4.34, 4.35 A)
 &rst
  ixpk= 413, nxpk= 15, iat= 432, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HN           29 ALA  HN          5.50    (#    414:15  Preassigned    3.15, 3.20 A)
 &rst
  ixpk= 414, nxpk= 15, iat= 628, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HD2          29 ALA  HN          5.50    (#    415:15  Preassigned    3.37, 3.49 A)
 &rst
  ixpk= 415, nxpk= 15, iat= 223, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 VAL  HA           28 ALA  HN          4.50    (#    417:15  Preassigned    3.56, 3.58 A)
 &rst
  ixpk= 417, nxpk= 15, iat= 408, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 GLU  HA           29 ALA  HN          4.50    (#    418:15  Preassigned    3.64, 3.68 A)
 &rst
  ixpk= 418, nxpk= 15, iat= 393, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   29 ALA  HA           29 ALA  HN          3.50    (#    419:15  Preassigned    2.89, 2.90 A)
 &rst
  ixpk= 419, nxpk= 15, iat= 424, 422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 GLU  HG+          29 ALA  HN          4.50    (#    420:15  Preassigned    3.28, 3.38 A)
 &rst
  ixpk= 420, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#   27 GLU  HB2          29 ALA  HN          7.00    (#    421:15  Preassigned    5.30, 5.36 A)
 &rst
  ixpk= 421, nxpk= 15, iat= 395, 422, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   27 GLU  HG-          29 ALA  HN          4.50    (#    422:15  Preassigned    3.28, 3.38 A)
 &rst
  ixpk= 422, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 398, 399,
 &end
#
#   40 ILE  HB           29 ALA  HN          3.50    (#    423:15  Preassigned    2.64, 2.74 A)
 &rst
  ixpk= 423, nxpk= 15, iat= 632, 422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   29 ALA  QB           29 ALA  HN          3.50    (#    424:15  Preassigned    2.96, 3.50 A)
 &rst
  ixpk= 424, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 426, 427, 428,
 &end
#
#    0 AMB  15-3:425     29 ALA  HN          5.50    (#    425:15  Single Ambig)
 &rst
  ixpk= 425, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 442, 443, 445, 446, 447, 438, 439, 440,
 &end
#
#   29 VAL  QG2          28 ALA  HN          4.50    (#    426:15  Preassigned    2.73, 3.47 A)
 &rst
  ixpk= 426, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 416, 417, 418,
 &end
#
#    0 AMB  15-3:427     29 ALA  HN          4.50    (#    427:15  Single Ambig)
 &rst
  ixpk= 427, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1024,1025,1026,1028,1029,1030, 653, 654, 655, 237,
       238, 239,
 &end
#
#    0 AMB  15-3:428     29 ALA  HN          3.50    (#    428:15  Single Ambig)
 &rst
  ixpk= 428, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 634, 635, 636,1024,1025,1026,1028,1029,1030, 412,
       413, 414,
 &end
#
#   31 LEU  HG           29 ALA  HN          7.00    (#    429:15  Preassigned    6.85, 7.05 A)
 &rst
  ixpk= 429, nxpk= 15, iat= 458, 422, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:430     29 ALA  HN          7.00    (#    430:15  Single Ambig)
 &rst
  ixpk= 430, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 136, 177,
 &end
#
#   46 GLY  HN           22 ILE  HN          4.50    (#    433:15  Preassigned    2.72, 2.89 A)
 &rst
  ixpk= 433, nxpk= 15, iat= 720, 311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 ILE  HA           22 ILE  HN          4.50    (#    434:15  Preassigned    2.95, 2.96 A)
 &rst
  ixpk= 434, nxpk= 15, iat= 313, 311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:435     22 ILE  HN          2.80    (#    435:15  Single Ambig)
 &rst
  ixpk= 435, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 296, 729,
 &end
#
#   22 GLN  HG+          21 ILE  HN          5.50    (#    436:15  Preassigned    2.60, 3.70 A)
 &rst
  ixpk= 436, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 301, 302,
 &end
#
#    0 AMB  15-3:437     22 ILE  HN          4.50    (#    437:15  Single Ambig)
 &rst
  ixpk= 437, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 298, 299, 334,
 &end
#
#   22 ILE  HB           22 ILE  HN          4.50    (#    438:15  Preassigned    3.84, 3.87 A)
 &rst
  ixpk= 438, nxpk= 15, iat= 315, 311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 ILE  HG1+         22 ILE  HN          3.50    (#    439:15  Preassigned    2.36, 2.80 A)
 &rst
  ixpk= 439, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 321, 322,
 &end
#
#   47 ILE  HN           22 ILE  HN          5.50    (#    440:15  Preassigned    4.85, 4.93 A)
 &rst
  ixpk= 440, nxpk= 15, iat= 727, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HG1-         22 ILE  HN          4.50    (#    441:15  Preassigned    2.36, 2.80 A)
 &rst
  ixpk= 441, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 321, 322,
 &end
#
#   47 ILE  HG1-         22 ILE  HN          5.50    (#    442:15  Preassigned    3.81, 5.26 A)
 &rst
  ixpk= 442, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 737, 738,
 &end
#
#   48 VAL  QG2          22 ILE  HN          4.50    (#    443:15  Preassigned    3.94, 5.09 A)
 &rst
  ixpk= 443, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 756, 757, 758,
 &end
#
#   22 ILE  QG2          22 ILE  HN          3.50    (#    444:15  Preassigned    3.13, 3.95 A)
 &rst
  ixpk= 444, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 317, 318, 319,
 &end
#
#   22 GLN  HG-          21 ILE  HN          5.50    (#    445:15  Preassigned    2.60, 3.70 A)
 &rst
  ixpk= 445, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 301, 302,
 &end
#
#   21 ASP  HB3          20 GLN  HN          4.50    (#    449:15  Preassigned    3.45, 3.80 A)
 &rst
  ixpk= 449, nxpk= 15, iat= 287, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 GLN  HG+          21 GLN  HN          4.50    (#    450:15  Preassigned    4.35, 4.55 A)
 &rst
  ixpk= 450, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 301, 302,
 &end
#
#   21 GLN  HA           21 GLN  HN          3.50    (#    451:15  Preassigned    2.91, 2.96 A)
 &rst
  ixpk= 451, nxpk= 15, iat= 296, 294, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASP  HA           20 GLN  HN          2.80    (#    452:15  Preassigned    2.20, 2.35 A)
 &rst
  ixpk= 452, nxpk= 15, iat= 284, 294, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 ASP  HB2          20 GLN  HN          4.50    (#    453:15  Preassigned    3.86, 4.05 A)
 &rst
  ixpk= 453, nxpk= 15, iat= 286, 294, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 GLN  QB           21 GLN  HN          2.80    (#    454:15  Preassigned    2.30, 2.63 A)
 &rst
  ixpk= 454, nxpk= 15, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 298, 299,
 &end
#
#   19 GLY  HN           18 ALA  HN          5.50    (#    459:15  Preassigned    4.54, 4.61 A)
 &rst
  ixpk= 459, nxpk= 15, iat= 275, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 LYS  HN           17 ALA  HN          5.50    (#    461:15  Preassigned    4.28, 4.32 A)
 &rst
  ixpk= 461, nxpk= 15, iat= 243, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 LYS  HA           17 ALA  HN          2.80    (#    462:15  Preassigned    2.41, 2.43 A)
 &rst
  ixpk= 462, nxpk= 15, iat= 245, 265, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:463     18 ALA  HN          5.50    (#    463:15  Single Ambig)
 &rst
  ixpk= 463, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 786, 277, 278,
 &end
#
#   18 ALA  HA           18 ALA  HN          3.50    (#    464:15  Preassigned    2.81, 2.84 A)
 &rst
  ixpk= 464, nxpk= 15, iat= 267, 265, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 LYS  QB           17 ALA  HN          3.50    (#    466:15  Preassigned    2.39, 3.18 A)
 &rst
  ixpk= 466, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 247, 248,
 &end
#
#   18 LYS  QD           17 ALA  HN          5.50    (#    467:15  Preassigned    4.50, 5.66 A)
 &rst
  ixpk= 467, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 253, 254,
 &end
#
#   18 LYS  HG+          17 ALA  HN          5.50    (#    468:15  Preassigned    3.92, 4.61 A)
 &rst
  ixpk= 468, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 250, 251,
 &end
#
#   18 ALA  QB           18 ALA  HN          2.80    (#    470:15  Preassigned    2.49, 2.89 A)
 &rst
  ixpk= 470, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 269, 270, 271,
 &end
#
#   51 VAL  QG1          18 ALA  HN          5.50    (#    472:15  Preassigned    5.22, 6.57 A)
 &rst
  ixpk= 472, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 805, 806, 807,
 &end
#
#   48 VAL  QG2          18 ALA  HN          5.50    (#    473:15  Preassigned    5.82, 6.77 A)
 &rst
  ixpk= 473, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#   51 VAL  QG2          18 ALA  HN          3.50    (#    474:15  Preassigned    2.77, 3.77 A)
 &rst
  ixpk= 474, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 809, 810, 811,
 &end
#
#   48 VAL  QG1          18 ALA  HN          4.50    (#    475:15  Preassigned    3.96, 4.74 A)
 &rst
  ixpk= 475, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 752, 753, 754,
 &end
#
#    0 AMB  15-3:478     64 VAL  HN          3.50    (#    478:15  Single Ambig)
 &rst
  ixpk= 478, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1003,  49,
 &end
#
#   65 LEU  HB2          64 VAL  HN          7.00    (#    479:15  Preassigned    5.73, 5.97 A)
 &rst
  ixpk= 479, nxpk= 15, iat=1019, 999, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   64 VAL  QG1          64 VAL  HN          4.50    (#    480:15  Preassigned    2.55, 3.45 A)
 &rst
  ixpk= 480, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1005,1006,1007,
 &end
#
#   65 LEU  HN           64 VAL  HN          5.50    (#    481:15  Preassigned    4.62, 4.66 A)
 &rst
  ixpk= 481, nxpk= 15, iat=1015, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 ASP  HN           63 VAL  HN          5.50    (#    482:15  Preassigned    4.58, 4.59 A)
 &rst
  ixpk= 482, nxpk= 15, iat= 987, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HA           20 ASP  HN          7.00    (#    483:15  Preassigned    5.55, 5.68 A)
 &rst
  ixpk= 483, nxpk= 15, iat= 229, 282, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   64 ASP  HA           63 VAL  HN          2.80    (#    484:15  Preassigned    2.33, 2.36 A)
 &rst
  ixpk= 484, nxpk= 15, iat= 989, 999, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:485     20 ASP  HN          5.50    (#    485:15  Single Ambig)
 &rst
  ixpk= 485, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 729, 296,
 &end
#
#   49 LYS  HA           20 ASP  HN          7.00    (#    486:15  Preassigned    5.69, 6.23 A)
 &rst
  ixpk= 486, nxpk= 15, iat= 764, 282, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   49 LYS  HA           18 ALA  HN          7.00    (#    487:15  Preassigned    6.22, 6.89 A)
 &rst
  ixpk= 487, nxpk= 15, iat= 764, 265, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   64 VAL  HA           64 VAL  HN          3.50    (#    488:15  Preassigned    2.90, 2.92 A)
 &rst
  ixpk= 488, nxpk= 15, iat=1001, 999, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ASP  HB3          63 VAL  HN          4.50    (#    489:15  Preassigned    3.54, 3.62 A)
 &rst
  ixpk= 489, nxpk= 15, iat= 992, 999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 ASP  HB2          63 VAL  HN          4.50    (#    490:15  Preassigned    4.02, 4.07 A)
 &rst
  ixpk= 490, nxpk= 15, iat= 991, 999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 VAL  QG2          64 VAL  HN          2.80    (#    491:15  Preassigned    1.93, 2.77 A)
 &rst
  ixpk= 491, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1009,1010,1011,
 &end
#
#   20 GLY  HN           19 ASP  HN          3.50    (#    496:15  Preassigned    2.55, 2.77 A)
 &rst
  ixpk= 496, nxpk= 15, iat= 275, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  HN           20 ASP  HN          5.50    (#    497:15  Preassigned    2.93, 3.64 A)
 &rst
  ixpk= 497, nxpk= 15, iat= 746, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  HN           20 ASP  HN          5.50    (#    498:15  Preassigned    3.58, 3.71 A)
 &rst
  ixpk= 498, nxpk= 15, iat= 243, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HA           20 ASP  HN          3.50    (#    500:15  Preassigned    2.89, 2.91 A)
 &rst
  ixpk= 500, nxpk= 15, iat= 284, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 GLY  HA+          19 ASP  HN          4.50    (#    501:15  Preassigned    3.03, 3.39 A)
 &rst
  ixpk= 501, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 277, 278,
 &end
#
#   18 ALA  HA           20 ASP  HN          4.50    (#    502:15  Preassigned    3.45, 3.54 A)
 &rst
  ixpk= 502, nxpk= 15, iat= 267, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 GLY  HA-          19 ASP  HN          4.50    (#    503:15  Preassigned    3.03, 3.39 A)
 &rst
  ixpk= 503, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 277, 278,
 &end
#
#   20 ASP  HB3          20 ASP  HN          2.80    (#    504:15  Preassigned    2.47, 2.52 A)
 &rst
  ixpk= 504, nxpk= 15, iat= 287, 282, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   20 ASP  HB2          20 ASP  HN          3.50    (#    505:15  Preassigned    2.48, 2.57 A)
 &rst
  ixpk= 505, nxpk= 15, iat= 286, 282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  HB           20 ASP  HN          2.80    (#    506:15  Preassigned    2.41, 2.53 A)
 &rst
  ixpk= 506, nxpk= 15, iat= 750, 282, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 ALA  QB           20 ASP  HN          5.50    (#    507:15  Preassigned    5.18, 5.43 A)
 &rst
  ixpk= 507, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 269, 270, 271,
 &end
#
#   48 VAL  QG2          20 ASP  HN          4.50    (#    508:15  Preassigned    3.94, 4.55 A)
 &rst
  ixpk= 508, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 756, 757, 758,
 &end
#
#    0 AMB  15-3:509     20 ASP  HN          5.50    (#    509:15  Single Ambig)
 &rst
  ixpk= 509, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 809, 810, 811, 740, 741, 742,
 &end
#
#    0 AMB  15-3:510     20 ASP  HN          4.50    (#    510:15  Single Ambig)
 &rst
  ixpk= 510, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 733, 734, 735, 752, 753, 754,
 &end
#
#   35 BTL  HA           33 SER  HN          5.50    (#    511:15  Preassigned    4.14, 4.26 A)
 &rst
  ixpk= 511, nxpk= 15, iat= 515, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 GLU  HA           33 SER  HN          4.50    (#    512:15  Preassigned    3.68, 3.93 A)
 &rst
  ixpk= 512, nxpk= 15, iat= 582, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:513     33 SER  HN          5.50    (#    513:15  Single Ambig)
 &rst
  ixpk= 513, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 475, 549,
 &end
#
#    0 AMB  15-3:514     33 SER  HN          5.50    (#    514:15  Single Ambig)
 &rst
  ixpk= 514, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 513, 470,
 &end
#
#   36 MET  HN           33 SER  HN          4.50    (#    515:15  Preassigned    2.38, 2.52 A)
 &rst
  ixpk= 515, nxpk= 15, iat= 563, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 GLU  HA           32 SER  HN          2.80    (#    516:15  Preassigned    2.18, 2.21 A)
 &rst
  ixpk= 516, nxpk= 15, iat= 472, 485, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   33 SER  HA           33 SER  HN          4.50    (#    517:15  Preassigned    2.96, 2.98 A)
 &rst
  ixpk= 517, nxpk= 15, iat= 487, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HB2          33 SER  HN          4.50    (#    518:15  Preassigned    2.47, 2.56 A)
 &rst
  ixpk= 518, nxpk= 15, iat= 489, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HB3          33 SER  HN          4.50    (#    519:15  Preassigned    3.59, 3.66 A)
 &rst
  ixpk= 519, nxpk= 15, iat= 490, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HB2          33 SER  HN          4.50    (#    520:15  Preassigned    3.33, 3.43 A)
 &rst
  ixpk= 520, nxpk= 15, iat= 567, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 GLU  HG+          32 SER  HN          4.50    (#    521:15  Preassigned    2.35, 3.35 A)
 &rst
  ixpk= 521, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#   33 GLU  HG-          32 SER  HN          4.50    (#    522:15  Preassigned    2.35, 3.35 A)
 &rst
  ixpk= 522, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#    0 AMB  15-3:523     33 SER  HN          4.50    (#    523:15  Single Ambig)
 &rst
  ixpk= 523, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 605, 606, 474,
 &end
#
#   38 ILE  QD1          33 SER  HN          5.50    (#    524:15  Preassigned    3.64, 5.75 A)
 &rst
  ixpk= 524, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#   38 ILE  HG1-         33 SER  HN          5.50    (#    525:15  Preassigned    4.01, 5.20 A)
 &rst
  ixpk= 525, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   37 MET  HB2          36 GLU  HN          4.50    (#    526:15  Preassigned    3.37, 3.65 A)
 &rst
  ixpk= 526, nxpk= 15, iat= 567, 580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 ILE  QG2          37 GLU  HN          7.00    (#    527:15  Preassigned    6.86, 7.26 A)
 &rst
  ixpk= 527, nxpk= 15, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 438, 439, 440,
 &end
#
#   38 ILE  HA           37 GLU  HN          5.50    (#    528:15  Preassigned    4.89, 5.04 A)
 &rst
  ixpk= 528, nxpk= 15, iat= 597, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 MET  HA           36 GLU  HN          2.80    (#    529:15  Preassigned    2.18, 2.43 A)
 &rst
  ixpk= 529, nxpk= 15, iat= 565, 580, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:530     37 GLU  HN          3.50    (#    530:15  Single Ambig)
 &rst
  ixpk= 530, nxpk= 15, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 587, 588, 568,
 &end
#
#   37 GLU  QB           37 GLU  HN          3.50    (#    531:15  Preassigned    2.28, 3.27 A)
 &rst
  ixpk= 531, nxpk= 15, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 584, 585,
 &end
#
#   37 GLU  HG-          37 GLU  HN          4.50    (#    532:15  Preassigned    2.26, 3.21 A)
 &rst
  ixpk= 532, nxpk= 15, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 587, 588,
 &end
#
#   50 GLU  HN           67 GLU  HN          4.50    (#    534:15  Preassigned    2.76, 2.90 A)
 &rst
  ixpk= 534, nxpk= 15, iat= 784,1053, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  HA           67 GLU  HN          5.50    (#    535:15  Preassigned    3.16, 3.56 A)
 &rst
  ixpk= 535, nxpk= 15, iat= 801,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HG1+         47 ILE  HN          4.50    (#    536:15  Preassigned    2.51, 3.41 A)
 &rst
  ixpk= 536, nxpk= 15, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 737, 738,
 &end
#
#   52 LYS  HN           67 GLU  HN          5.50    (#    537:15  Preassigned    4.05, 4.33 A)
 &rst
  ixpk= 537, nxpk= 15, iat= 815,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  HA           47 ILE  HN          4.50    (#    539:15  Preassigned    2.96, 2.98 A)
 &rst
  ixpk= 539, nxpk= 15, iat= 729, 727, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 GLY  HA+          46 ILE  HN          3.50    (#    540:15  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 540, nxpk= 15, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 722, 723,
 &end
#
#   47 GLY  HA-          46 ILE  HN          3.50    (#    541:15  Preassigned    2.36, 2.58 A)
 &rst
  ixpk= 541, nxpk= 15, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 722, 723,
 &end
#
#    0 AMB  15-3:542     47 ILE  HN          2.80    (#    542:15  Single Ambig)
 &rst
  ixpk= 542, nxpk= 15, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 731,1073,
 &end
#
#    0 AMB  15-3:543      0 AMB  15-1:543    3.50    (#    543:15  Double Ambig)
 &rst
  ixpk= 543, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 737, 738,1041, 825, 826,
 igr2= 727,1053,
 &end
#
#    0 AMB  15-3:544     67 GLU  HN          3.50    (#    544:15  Single Ambig)
 &rst
  ixpk= 544, nxpk= 15, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,
 &end
#
#    0 AMB  15-3:545      0 AMB  15-1:545    4.50    (#    545:15  Double Ambig)
 &rst
  ixpk= 545, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 752, 753, 754, 733, 734, 735,
 igr2=1053, 727,
 &end
#
#   69 SER  HN           47 ILE  HN          4.50    (#    546:15  Preassigned    3.04, 3.51 A)
 &rst
  ixpk= 546, nxpk= 15, iat=1087, 727, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 SER  QB           47 ILE  HN          5.50    (#    547:15  Preassigned    2.93, 4.36 A)
 &rst
  ixpk= 547, nxpk= 15, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1091,1092,
 &end
#
#   68 LEU  QD2           0 AMB  15-1:548    4.50    (#    548:15  Single Ambig)
 &rst
  ixpk= 548, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1081,1082,1083,
 igr2=1053, 727,
 &end
#
#   67 GLU  HB2          67 GLU  HN          4.50    (#    551:15  Preassigned    2.98, 3.20 A)
 &rst
  ixpk= 551, nxpk= 15, iat=1057,1053, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 LEU  HA           66 GLU  HN          2.80    (#    552:15  Preassigned    2.19, 2.26 A)
 &rst
  ixpk= 552, nxpk= 15, iat=1036,1053, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:553     67 GLU  HN          3.50    (#    553:15  Single Ambig)
 &rst
  ixpk= 553, nxpk= 15, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1058, 789,
 &end
#
#    8 MET  QG            7 ALA  HN          5.50    (#    555:15  Preassigned    2.32, 3.55 A)
 &rst
  ixpk= 555, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  88,  89,
 &end
#
#    9 GLY  HN            8 ALA  HN          4.50    (#    557:15  Preassigned    4.52, 4.60 A)
 &rst
  ixpk= 557, nxpk= 15, iat= 108,  98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 MET  HN            7 ALA  HN          5.50    (#    558:15  Preassigned    4.32, 4.36 A)
 &rst
  ixpk= 558, nxpk= 15, iat=  81,  98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ALA  HA            8 ALA  HN          4.50    (#    559:15  Preassigned    2.88, 2.90 A)
 &rst
  ixpk= 559, nxpk= 15, iat= 100,  98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 MET  HA            7 ALA  HN          2.80    (#    560:15  Preassigned    2.27, 2.34 A)
 &rst
  ixpk= 560, nxpk= 15, iat=  83,  98, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    8 MET  HB+           7 ALA  HN          4.50    (#    561:15  Preassigned    2.88, 3.81 A)
 &rst
  ixpk= 561, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  85,  86,
 &end
#
#    8 MET  HB-           7 ALA  HN          4.50    (#    562:15  Unique         2.88, 3.81 A)
 &rst
  ixpk= 562, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  85,  86,
 &end
#
#    8 ALA  QB            8 ALA  HN          2.80    (#    563:15  Preassigned    2.37, 2.87 A)
 &rst
  ixpk= 563, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 102, 103, 104,
 &end
#
#   41 VAL  HA           28 VAL  HN          4.50    (#    564:15  Preassigned    2.35, 2.47 A)
 &rst
  ixpk= 564, nxpk= 15, iat= 649, 406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 VAL  HA           28 VAL  HN          4.50    (#    565:15  Preassigned    2.97, 2.97 A)
 &rst
  ixpk= 565, nxpk= 15, iat= 408, 406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:566     28 VAL  HN          5.50    (#    566:15  Single Ambig)
 &rst
  ixpk= 566, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1024,1025,1026,1028,1029,1030, 657, 658, 659,
 &end
#
#   29 ALA  HN           28 VAL  HN          3.50    (#    567:15  Preassigned    1.89, 1.95 A)
 &rst
  ixpk= 567, nxpk= 15, iat= 422, 406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 GLU  HG-          27 VAL  HN          5.50    (#    568:15  Preassigned    3.13, 3.28 A)
 &rst
  ixpk= 568, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 398, 399,
 &end
#
#    0 AMB  15-3:569     28 VAL  HN          4.50    (#    569:15  Single Ambig)
 &rst
  ixpk= 569, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 663, 628, 647,
 &end
#
#   56 GLY  HN           55 GLU  HN          5.50    (#    570:15  Preassigned    4.42, 4.49 A)
 &rst
  ixpk= 570, nxpk= 15, iat= 896, 881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 LYS  HN           54 GLU  HN          5.50    (#    572:15  Preassigned    4.34, 4.36 A)
 &rst
  ixpk= 572, nxpk= 15, iat= 859, 881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 LYS  HA           54 GLU  HN          2.80    (#    573:15  Preassigned    2.39, 2.43 A)
 &rst
  ixpk= 573, nxpk= 15, iat= 861, 881, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   55 GLU  HA           55 GLU  HN          4.50    (#    574:15  Preassigned    2.68, 2.72 A)
 &rst
  ixpk= 574, nxpk= 15, iat= 883, 881, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 GLU  HG+          55 GLU  HN          4.50    (#    575:15  Preassigned    2.63, 3.25 A)
 &rst
  ixpk= 575, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 888, 889,
 &end
#
#   55 GLU  HG-          55 GLU  HN          4.50    (#    576:15  Preassigned    2.63, 3.25 A)
 &rst
  ixpk= 576, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 888, 889,
 &end
#
#   55 GLU  QB           55 GLU  HN          2.80    (#    577:15  Preassigned    2.55, 3.15 A)
 &rst
  ixpk= 577, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 885, 886,
 &end
#
#   55 LYS  QB           54 GLU  HN          3.50    (#    578:15  Preassigned    2.37, 3.15 A)
 &rst
  ixpk= 578, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 863, 864,
 &end
#
#   55 LYS  HG-          54 GLU  HN          5.50    (#    579:15  Preassigned    3.45, 4.28 A)
 &rst
  ixpk= 579, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 866, 867,
 &end
#
#   14 VAL  QG2          55 GLU  HN          5.50    (#    580:15  Preassigned    3.02, 3.66 A)
 &rst
  ixpk= 580, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 204, 205, 206,
 &end
#
#   28 GLU  HA           27 VAL  HN          2.80    (#    581:15  Preassigned    2.18, 2.20 A)
 &rst
  ixpk= 581, nxpk= 15, iat= 393, 406, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   28 VAL  QG2          28 VAL  HN          4.50    (#    582:15  Preassigned    2.08, 2.97 A)
 &rst
  ixpk= 582, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 416, 417, 418,
 &end
#
#   28 VAL  QG1          28 VAL  HN          3.50    (#    583:15  Preassigned    2.95, 3.85 A)
 &rst
  ixpk= 583, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 412, 413, 414,
 &end
#
#    5 ILE  HN           61 GLU  HN          7.50    (#    584:15  Unique         7.20, 7.34 A)
 &rst
  ixpk= 584, nxpk= 15, iat=  45, 965, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,  &end
#
#   61 ASN  HA           60 GLU  HN          2.80    (#    586:15  Preassigned    2.47, 2.48 A)
 &rst
  ixpk= 586, nxpk= 15, iat= 953, 965, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 GLU  HA           61 GLU  HN          4.50    (#    587:15  Preassigned    2.82, 2.83 A)
 &rst
  ixpk= 587, nxpk= 15, iat= 967, 965, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 ASN  HB+          60 GLU  HN          3.50    (#    588:15  Preassigned    2.60, 3.34 A)
 &rst
  ixpk= 588, nxpk= 15, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 955, 956,
 &end
#
#    8 ALA  QB           61 GLU  HN          3.50    (#    589:15  Preassigned    3.69, 4.61 A)
 &rst
  ixpk= 589, nxpk= 15, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 102, 103, 104,
 &end
#
#   60 VAL  HA           59 ASN  HN          2.80    (#    590:15  Preassigned    2.39, 2.41 A)
 &rst
  ixpk= 590, nxpk= 15, iat= 937, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   63 ASP  HB3          60 ASN  HN          4.50    (#    591:15  Preassigned    1.92, 2.00 A)
 &rst
  ixpk= 591, nxpk= 15, iat= 992, 951, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 ASN  HB-          60 ASN  HN          3.50    (#    592:15  Preassigned    2.93, 3.21 A)
 &rst
  ixpk= 592, nxpk= 15, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 955, 956,
 &end
#
#   60 VAL  HB           59 ASN  HN          3.50    (#    593:15  Preassigned    2.39, 2.60 A)
 &rst
  ixpk= 593, nxpk= 15, iat= 939, 951, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 VAL  QG1          59 ASN  HN          4.50    (#    594:15  Preassigned    3.66, 4.38 A)
 &rst
  ixpk= 594, nxpk= 15, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 941, 942, 943,
 &end
#
#   60 VAL  QG2          59 ASN  HN          5.50    (#    595:15  Preassigned    4.05, 4.78 A)
 &rst
  ixpk= 595, nxpk= 15, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 945, 946, 947,
 &end
#
#    0 AMB  15-3:596     60 ASN  HN          5.50    (#    596:15  Single Ambig)
 &rst
  ixpk= 596, nxpk= 15, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 935,  45,
 &end
#
#   63 ASP  HN           60 ASN  HN          5.50    (#    597:15  Preassigned    3.39, 3.47 A)
 &rst
  ixpk= 597, nxpk= 15, iat= 987, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HB2          54 LYS  HN          5.50    (#    599:15  Preassigned    2.21, 2.53 A)
 &rst
  ixpk= 599, nxpk= 15, iat= 907, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 LYS  HD+          53 LYS  HN          4.50    (#    600:15  Preassigned    3.86, 4.02 A)
 &rst
  ixpk= 600, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 847, 848,
 &end
#
#   54 LYS  HA           53 LYS  HN          2.80    (#    601:15  Preassigned    2.58, 2.63 A)
 &rst
  ixpk= 601, nxpk= 15, iat= 839, 859, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   57 ASP  HB3          54 LYS  HN          4.50    (#    602:15  Preassigned    2.36, 2.53 A)
 &rst
  ixpk= 602, nxpk= 15, iat= 908, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 LYS  HB3          53 LYS  HN          3.50    (#    603:15  Preassigned    2.15, 2.20 A)
 &rst
  ixpk= 603, nxpk= 15, iat= 842, 859, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 LYS  HB2          53 LYS  HN          3.50    (#    604:15  Preassigned    3.30, 3.35 A)
 &rst
  ixpk= 604, nxpk= 15, iat= 841, 859, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 LYS  HA           54 LYS  HN          4.50    (#    605:15  Preassigned    2.89, 2.92 A)
 &rst
  ixpk= 605, nxpk= 15, iat= 861, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 LYS  HD-          53 LYS  HN          5.50    (#    606:15  Preassigned    3.86, 4.02 A)
 &rst
  ixpk= 606, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#   54 LYS  QB           54 LYS  HN          3.50    (#    607:15  Preassigned    3.35, 3.69 A)
 &rst
  ixpk= 607, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 863, 864,
 &end
#
#   54 LYS  HG+          54 LYS  HN          3.50    (#    608:15  Preassigned    2.52, 3.14 A)
 &rst
  ixpk= 608, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 866, 867,
 &end
#
#   11 LEU  QD-          54 LYS  HN          5.50    (#    609:15  Preassigned    2.70, 5.40 A)
 &rst
  ixpk= 609, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   11 LEU  HN           54 LYS  HN          7.00    (#    610:15  Preassigned    5.64, 5.91 A)
 &rst
  ixpk= 610, nxpk= 15, iat= 129, 859, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   18 ALA  HN           17 LYS  HN          5.50    (#    612:15  Preassigned    4.28, 4.32 A)
 &rst
  ixpk= 612, nxpk= 15, iat= 265, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  QB           17 LYS  HN          4.50    (#    614:15  Preassigned    2.77, 3.52 A)
 &rst
  ixpk= 614, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 247, 248,
 &end
#
#   20 ASP  HN           17 LYS  HN          5.50    (#    615:15  Preassigned    3.58, 3.71 A)
 &rst
  ixpk= 615, nxpk= 15, iat= 282, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 VAL  HA           16 LYS  HN          2.80    (#    616:15  Preassigned    2.33, 2.36 A)
 &rst
  ixpk= 616, nxpk= 15, iat= 229, 243, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   17 LYS  HA           17 LYS  HN          4.50    (#    617:15  Preassigned    2.89, 2.91 A)
 &rst
  ixpk= 617, nxpk= 15, iat= 245, 243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HB3          17 LYS  HN          4.50    (#    618:15  Preassigned    2.36, 2.51 A)
 &rst
  ixpk= 618, nxpk= 15, iat= 287, 243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HB2          17 LYS  HN          5.50    (#    619:15  Preassigned    2.47, 2.81 A)
 &rst
  ixpk= 619, nxpk= 15, iat= 286, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 VAL  HB           16 LYS  HN          2.80    (#    620:15  Preassigned    2.24, 2.55 A)
 &rst
  ixpk= 620, nxpk= 15, iat= 231, 243, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   17 LYS  QD           17 LYS  HN          5.50    (#    621:15  Preassigned    4.74, 5.36 A)
 &rst
  ixpk= 621, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 253, 254,
 &end
#
#   17 LYS  HG+          17 LYS  HN          3.50    (#    622:15  Preassigned    2.68, 3.43 A)
 &rst
  ixpk= 622, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 250, 251,
 &end
#
#   17 VAL  QG1          16 LYS  HN          4.50    (#    623:15  Preassigned    3.55, 4.32 A)
 &rst
  ixpk= 623, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 233, 234, 235,
 &end
#
#   48 VAL  QG2          17 LYS  HN          5.50    (#    624:15  Preassigned    3.14, 4.28 A)
 &rst
  ixpk= 624, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#    0 AMB  15-3:625     17 LYS  HN          4.50    (#    625:15  Single Ambig)
 &rst
  ixpk= 625, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 809, 810, 811, 237, 238, 239,1043,1044,1045,1047,
      1048,1049,1043,1044,1045,1047,1048,1049,
 &end
#
#   48 VAL  QG1          17 LYS  HN          5.50    (#    626:15  Preassigned    3.34, 4.54 A)
 &rst
  ixpk= 626, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#   17 LYS  HG-          17 LYS  HN          4.50    (#    628:15  Preassigned    2.68, 3.43 A)
 &rst
  ixpk= 628, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 250, 251,
 &end
#
#    5 ILE  HN            7 MET  HN          7.00    (#    630:15  Preassigned    5.62, 5.73 A)
 &rst
  ixpk= 630, nxpk= 15, iat=  45,  81, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   36 BTL  HN           35 MET  HN          4.50    (#    631:15  Preassigned    2.42, 2.61 A)
 &rst
  ixpk= 631, nxpk= 15, iat= 513, 563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 ILE  HN           36 MET  HN          7.00    (#    632:15  Preassigned    6.41, 6.58 A)
 &rst
  ixpk= 632, nxpk= 15, iat= 595, 563, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   36 BTL  HA           35 MET  HN          4.50    (#    633:15  Preassigned    2.99, 3.17 A)
 &rst
  ixpk= 633, nxpk= 15, iat= 515, 563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HG+          36 MET  HN          4.50    (#    634:15  Preassigned    2.49, 3.23 A)
 &rst
  ixpk= 634, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 570, 571,
 &end
#
#    0 AMB  15-3:635     36 MET  HN          4.50    (#    635:15  Single Ambig)
 &rst
  ixpk= 635, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 477, 478, 568, 548,
 &end
#
#   32 GLU  HG-          36 MET  HN          5.50    (#    636:15  Preassigned    3.43, 4.36 A)
 &rst
  ixpk= 636, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 478,
 &end
#
#   62 GLY  HN            7 MET  HN          5.50    (#    637:15  Preassigned    4.38, 4.47 A)
 &rst
  ixpk= 637, nxpk= 15, iat= 980,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 MET  HN           36 MET  HN          5.50    (#    638:15  Preassigned    3.94, 3.98 A)
 &rst
  ixpk= 638, nxpk= 15, iat= 496, 563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:639      7 MET  HN          5.50    (#    639:15  Single Ambig)
 &rst
  ixpk= 639, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  98, 987,
 &end
#
#   36 MET  HA           36 MET  HN          4.50    (#    641:15  Preassigned    2.96, 2.98 A)
 &rst
  ixpk= 641, nxpk= 15, iat= 565, 563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 SER  HN           36 MET  HN          4.50    (#    642:15  Preassigned    2.38, 2.52 A)
 &rst
  ixpk= 642, nxpk= 15, iat= 485, 563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HG+          36 MET  HN          4.50    (#    643:15  Preassigned    2.49, 3.23 A)
 &rst
  ixpk= 643, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 570, 571,
 &end
#
#    0 AMB  15-3:644     36 MET  HN          3.50    (#    644:15  Single Ambig)
 &rst
  ixpk= 644, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 567, 517,
 &end
#
#   31 LEU  HB3           7 MET  HN          7.00    (#    645:15  Preassigned    6.14, 6.45 A)
 &rst
  ixpk= 645, nxpk= 15, iat= 456,  81, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:646     36 MET  HN          5.50    (#    646:15  Single Ambig)
 &rst
  ixpk= 646, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 518, 584, 585,
 &end
#
#    7 GLN  HN            6 MET  HN          3.50    (#    647:15  Preassigned    2.05, 2.14 A)
 &rst
  ixpk= 647, nxpk= 15, iat=  64,  81, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 MET  HA            7 MET  HN          3.50    (#    649:15  Preassigned    2.91, 2.93 A)
 &rst
  ixpk= 649, nxpk= 15, iat=  83,  81, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 GLN  HA            6 MET  HN          4.50    (#    650:15  Preassigned    3.25, 3.33 A)
 &rst
  ixpk= 650, nxpk= 15, iat=  66,  81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 ILE  HA            7 MET  HN          5.50    (#    651:15  Preassigned    4.02, 4.11 A)
 &rst
  ixpk= 651, nxpk= 15, iat=  47,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 GLU  HA            7 MET  HN          5.50    (#    652:15  Preassigned    2.90, 3.04 A)
 &rst
  ixpk= 652, nxpk= 15, iat= 967,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  QG            7 MET  HN          4.50    (#    653:15  Preassigned    4.34, 4.70 A)
 &rst
  ixpk= 653, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  88,  89,
 &end
#
#    0 AMB  15-3:654      7 MET  HN          5.50    (#    654:15  Single Ambig)
 &rst
  ixpk= 654, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 972, 973, 939,  92,  93,  94,
 &end
#
#    7 MET  HB+           7 MET  HN          4.50    (#    655:15  Preassigned    2.68, 3.10 A)
 &rst
  ixpk= 655, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  85,  86,
 &end
#
#    7 MET  HB-           7 MET  HN          4.50    (#    656:15  Preassigned    2.68, 3.10 A)
 &rst
  ixpk= 656, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  85,  86,
 &end
#
#    5 ILE  QG2           7 MET  HN          2.80    (#    657:15  Preassigned    1.89, 2.66 A)
 &rst
  ixpk= 657, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  15-3:658      7 MET  HN          5.50    (#    658:15  Single Ambig)
 &rst
  ixpk= 658, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 641, 642, 643, 945, 946, 947, 634, 635, 636,
 &end
#
#    0 AMB  15-3:659      7 MET  HN          5.50    (#    659:15  Single Ambig)
 &rst
  ixpk= 659, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    0 AMB  15-3:660     30 ILE  HN          5.50    (#    660:15  Single Ambig)
 &rst
  ixpk= 660, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 148, 628,
 &end
#
#   30 ALA  HA           29 ILE  HN          2.80    (#    661:15  Preassigned    2.49, 2.54 A)
 &rst
  ixpk= 661, nxpk= 15, iat= 424, 432, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 ILE  HB           30 ILE  HN          3.50    (#    662:15  Preassigned    2.72, 2.84 A)
 &rst
  ixpk= 662, nxpk= 15, iat= 436, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:663     30 ILE  HN          3.50    (#    663:15  Single Ambig)
 &rst
  ixpk= 663, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 426, 427, 428, 442, 443,
 &end
#
#   31 LEU  HN           30 ILE  HN          5.50    (#    664:15  Preassigned    4.21, 4.27 A)
 &rst
  ixpk= 664, nxpk= 15, iat= 451, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HN           30 ILE  HN          3.50    (#    665:15  Preassigned    2.66, 2.69 A)
 &rst
  ixpk= 665, nxpk= 15, iat= 172, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ILE  HA           30 ILE  HN          4.50    (#    666:15  Preassigned    2.96, 2.97 A)
 &rst
  ixpk= 666, nxpk= 15, iat= 434, 432, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 PRO  HB-          30 ILE  HN          7.00    (#    667:15  Preassigned    7.02, 7.15 A)
 &rst
  ixpk= 667, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 621, 622,
 &end
#
#    0 AMB  15-3:668     30 ILE  HN          4.50    (#    668:15  Single Ambig)
 &rst
  ixpk= 668, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 136, 177,
 &end
#
#    0 AMB  15-3:669     30 ILE  HN          3.50    (#    669:15  Single Ambig)
 &rst
  ixpk= 669, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 442, 443, 438, 439, 440,
 &end
#
#   11 LEU  QD+          30 ILE  HN          4.50    (#    670:15  Preassigned    3.17, 4.92 A)
 &rst
  ixpk= 670, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   55 GLU  HA           30 ILE  HN          7.00    (#    671:15  Preassigned    5.85, 5.95 A)
 &rst
  ixpk= 671, nxpk= 15, iat= 883, 432, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    10 GLY  HN            9 ASN  HN          5.50    (#    674:15  Preassigned    4.32, 4.34 A)
 &rst
  ixpk= 674, nxpk= 15, iat= 108, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HD21          10 ASN  HN          5.50    (#    675:15  Preassigned    3.18, 3.23 A)
 &rst
  ixpk= 675, nxpk= 15, iat= 124, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HA            10 ASN  HN          3.50    (#    676:15  Preassigned    2.97, 2.97 A)
 &rst
  ixpk= 676, nxpk= 15, iat= 117, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 LEU  QD+           10 ASN  HN          4.50    (#    677:15  Preassigned    2.95, 4.86 A)
 &rst
  ixpk= 677, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 460, 461, 462, 464, 465, 466,
 &end
#
#   32 GLU  HN            10 ASN  HN          4.50    (#    678:15  Preassigned    3.01, 3.05 A)
 &rst
  ixpk= 678, nxpk= 15, iat= 470, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 GLY  HA+           9 ASN  HN          2.80    (#    680:15  Preassigned    2.21, 2.48 A)
 &rst
  ixpk= 680, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 110, 111,
 &end
#
#    10 GLY  HA-           9 ASN  HN          2.80    (#    681:15  Preassigned    2.21, 2.48 A)
 &rst
  ixpk= 681, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 110, 111,
 &end
#
#    10 ASN  HB2           10 ASN  HN          3.50    (#    682:15  Preassigned    2.66, 2.72 A)
 &rst
  ixpk= 682, nxpk= 15, iat= 119, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    10 ASN  HB3           10 ASN  HN          4.50    (#    683:15  Preassigned    3.79, 3.82 A)
 &rst
  ixpk= 683, nxpk= 15, iat= 120, 115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 LEU  HB2           10 ASN  HN          5.50    (#    684:15  Preassigned    5.32, 5.46 A)
 &rst
  ixpk= 684, nxpk= 15, iat= 455, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HB3           10 ASN  HN          5.50    (#    685:15  Preassigned    3.33, 3.39 A)
 &rst
  ixpk= 685, nxpk= 15, iat= 475, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HN           69 SER  HN          4.50    (#    686:15  Preassigned    3.05, 3.34 A)
 &rst
  ixpk= 686, nxpk= 15, iat= 762,1087, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 ILE  HN           69 SER  HN          4.50    (#    688:15  Preassigned    3.04, 3.51 A)
 &rst
  ixpk= 688, nxpk= 15, iat= 727,1087, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 LEU  HA           68 SER  HN          2.80    (#    689:15  Preassigned    2.21, 2.27 A)
 &rst
  ixpk= 689, nxpk= 15, iat=1070,1087, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   69 SER  HA           69 SER  HN          4.50    (#    692:15  Preassigned    2.81, 2.88 A)
 &rst
  ixpk= 692, nxpk= 15, iat=1089,1087, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 SER  QB           69 SER  HN          3.50    (#    693:15  Preassigned    2.40, 3.05 A)
 &rst
  ixpk= 693, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1091,1092,
 &end
#
#   48 VAL  HA           69 SER  HN          4.50    (#    694:15  Preassigned    3.64, 3.79 A)
 &rst
  ixpk= 694, nxpk= 15, iat= 748,1087, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:695     69 SER  HN          3.50    (#    695:15  Single Ambig)
 &rst
  ixpk= 695, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1073, 766, 731,
 &end
#
#   69 LEU  HB2          68 SER  HN          4.50    (#    696:15  Preassigned    3.41, 3.81 A)
 &rst
  ixpk= 696, nxpk= 15, iat=1072,1087, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 VAL  QG1          69 SER  HN          5.50    (#    697:15  Unique         5.76, 6.52 A)
 &rst
  ixpk= 697, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#   69 LEU  QD2          68 SER  HN          4.50    (#    698:15  Preassigned    4.13, 4.93 A)
 &rst
  ixpk= 698, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1081,1082,1083,
 &end
#
#    5 ILE  HN           62 GLY  HN          5.50    (#    702:15  Preassigned    4.12, 4.20 A)
 &rst
  ixpk= 702, nxpk= 15, iat=  45, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ASP  HN           43 ARG  HN          3.50    (#    706:15  Preassigned    2.67, 2.77 A)
 &rst
  ixpk= 706, nxpk= 15, iat= 673, 685, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:707     44 ARG  HN          5.50    (#    707:15  Single Ambig)
 &rst
  ixpk= 707, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 709, 345, 374,
 &end
#
#    0 AMB  15-3:708     44 ARG  HN          3.50    (#    708:15  Single Ambig)
 &rst
  ixpk= 708, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 675, 711,
 &end
#
#   44 ARG  HA           44 ARG  HN          3.50    (#    709:15  Preassigned    2.86, 2.90 A)
 &rst
  ixpk= 709, nxpk= 15, iat= 687, 685, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 ALA  HA           44 ARG  HN          4.50    (#    710:15  Preassigned    3.37, 3.49 A)
 &rst
  ixpk= 710, nxpk= 15, iat= 665, 685, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 LYS  HA           44 ARG  HN          4.50    (#    711:15  Preassigned    3.14, 3.61 A)
 &rst
  ixpk= 711, nxpk= 15, iat= 347, 685, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ARG  QD           44 ARG  HN          5.50    (#    712:15  Preassigned    2.22, 4.17 A)
 &rst
  ixpk= 712, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 695, 696,
 &end
#
#   44 ASP  HB2          43 ARG  HN          5.50    (#    713:15  Preassigned    4.17, 4.25 A)
 &rst
  ixpk= 713, nxpk= 15, iat= 677, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ASP  HB3          43 ARG  HN          5.50    (#    714:15  Preassigned    2.95, 3.22 A)
 &rst
  ixpk= 714, nxpk= 15, iat= 678, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HB+          44 ARG  HN          4.50    (#    715:15  Preassigned    2.72, 3.70 A)
 &rst
  ixpk= 715, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 689, 690,
 &end
#
#   24 LYS  HB3          44 ARG  HN          7.00    (#    716:15  Preassigned    5.49, 6.02 A)
 &rst
  ixpk= 716, nxpk= 15, iat= 350, 685, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   42 ALA  QB           44 ARG  HN          3.50    (#    717:15  Preassigned    2.50, 3.77 A)
 &rst
  ixpk= 717, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 667, 668, 669,
 &end
#
#   44 ARG  HG-          44 ARG  HN          4.50    (#    718:15  Preassigned    2.46, 3.44 A)
 &rst
  ixpk= 718, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 692, 693,
 &end
#
#   24 LYS  QG           44 ARG  HN          5.50    (#    719:15  Preassigned    3.16, 4.84 A)
 &rst
  ixpk= 719, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 352, 353,
 &end
#
#    3 VAL  QG1          44 ARG  HN          5.50    (#    720:15  Preassigned    4.19, 5.18 A)
 &rst
  ixpk= 720, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  24,  25,  26,
 &end
#
#    0 AMB  15-3:721     44 ARG  HN          5.50    (#    721:15  Single Ambig)
 &rst
  ixpk= 721, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1077,1078,1079, 324, 325, 326,
 &end
#
#    0 AMB  15-3:723     62 GLY  HN          5.50    (#    723:15  Single Ambig)
 &rst
  ixpk= 723, nxpk= 15, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 989,  83,
 &end
#
#   63 ASP  HN           62 GLY  HN          3.50    (#    724:15  Preassigned    2.56, 2.60 A)
 &rst
  ixpk= 724, nxpk= 15, iat= 987, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 GLY  HA+          62 GLY  HN          3.50    (#    725:15  Preassigned    2.27, 2.61 A)
 &rst
  ixpk= 725, nxpk= 15, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 982, 983,
 &end
#
#   62 GLY  HA-          62 GLY  HN          2.80    (#    726:15  Preassigned    2.27, 2.61 A)
 &rst
  ixpk= 726, nxpk= 15, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 982, 983,
 &end
#
#   62 GLU  HA           61 GLY  HN          2.80    (#    727:15  Preassigned    2.17, 2.19 A)
 &rst
  ixpk= 727, nxpk= 15, iat= 967, 980, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   62 GLU  HG-          61 GLY  HN          4.50    (#    729:15  Preassigned    3.25, 3.48 A)
 &rst
  ixpk= 729, nxpk= 15, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 972, 973,
 &end
#
#    5 ILE  QG2          62 GLY  HN          5.50    (#    730:15  Preassigned    3.76, 5.00 A)
 &rst
  ixpk= 730, nxpk= 15, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  15-3:731     62 GLY  HN          5.50    (#    731:15  Single Ambig)
 &rst
  ixpk= 731, nxpk= 15, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 965, 951,
 &end
#
#    0 AMB  15-3:732     62 GLY  HN          4.50    (#    732:15  Single Ambig)
 &rst
  ixpk= 732, nxpk= 15, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  49, 970,
 &end
#
#    0 AMB  15-3:734     25 GLY  HN          5.50    (#    734:15  Single Ambig)
 &rst
  ixpk= 734, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 378, 337, 338, 337, 338,
 &end
#
#   42 ALA  HN           25 GLY  HN          4.50    (#    736:15  Preassigned    3.44, 3.52 A)
 &rst
  ixpk= 736, nxpk= 15, iat= 663, 367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 GLN  HN           25 GLY  HN          3.50    (#    737:15  Preassigned    2.58, 2.69 A)
 &rst
  ixpk= 737, nxpk= 15, iat= 374, 367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:738     25 GLY  HN          5.50    (#    738:15  Single Ambig)
 &rst
  ixpk= 738, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 675, 711,
 &end
#
#   25 GLY  HA+          25 GLY  HN          3.50    (#    739:15  Preassigned    2.31, 2.63 A)
 &rst
  ixpk= 739, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 369, 370,
 &end
#
#   25 GLY  HA-          25 GLY  HN          2.80    (#    740:15  Preassigned    2.31, 2.63 A)
 &rst
  ixpk= 740, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 369, 370,
 &end
#
#   25 LYS  HA           24 GLY  HN          2.80    (#    741:15  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 741, nxpk= 15, iat= 347, 367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:742     25 GLY  HN          5.50    (#    742:15  Single Ambig)
 &rst
  ixpk= 742, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 350, 355, 356, 315,
 &end
#
#   42 ALA  QB           25 GLY  HN          4.50    (#    743:15  Preassigned    2.48, 3.73 A)
 &rst
  ixpk= 743, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 667, 668, 669,
 &end
#
#   25 LYS  QG           24 GLY  HN          3.50    (#    744:15  Preassigned    2.88, 3.20 A)
 &rst
  ixpk= 744, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 352, 353,
 &end
#
#    0 AMB  15-3:747     53 LYS  HN          4.50    (#    747:15  Single Ambig)
 &rst
  ixpk= 747, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 820, 847, 848,
 &end
#
#   53 LYS  HN           52 LYS  HN          2.80    (#    750:15  Preassigned    2.52, 2.60 A)
 &rst
  ixpk= 750, nxpk= 15, iat= 815, 837, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   53 LYS  HA           53 LYS  HN          3.50    (#    753:15  Preassigned    2.93, 2.95 A)
 &rst
  ixpk= 753, nxpk= 15, iat= 839, 837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:754     53 LYS  HN          3.50    (#    754:15  Single Ambig)
 &rst
  ixpk= 754, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 817, 801,
 &end
#
#   50 GLU  HB3          53 LYS  HN          7.00    (#    755:15  Preassigned    7.00, 7.05 A)
 &rst
  ixpk= 755, nxpk= 15, iat= 789, 837, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   53 LYS  HD+          53 LYS  HN          5.50    (#    756:15  Preassigned    4.47, 4.95 A)
 &rst
  ixpk= 756, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#    0 AMB  15-3:757     53 LYS  HN          4.50    (#    757:15  Single Ambig)
 &rst
  ixpk= 757, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 844, 845, 825, 826, 866, 867,
 &end
#
#   53 LYS  HB2          53 LYS  HN          3.50    (#    758:15  Preassigned    2.73, 2.80 A)
 &rst
  ixpk= 758, nxpk= 15, iat= 841, 837, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 VAL  QG1          53 LYS  HN          2.80    (#    759:15  Unique         2.09, 3.29 A)
 &rst
  ixpk= 759, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 805, 806, 807,
 &end
#
#    0 AMB  15-3:760     53 LYS  HN          4.50    (#    760:15  Single Ambig)
 &rst
  ixpk= 760, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1024,1025,1026,1028,1029,1030,1043,1044,1045,1047,
      1048,1049,1043,1044,1045,1047,1048,1049,
 &end
#
#   58 PHE  HE           60 ASN  HD21        5.50    (#    762:15  Preassigned    3.54, 4.04 A)
 &rst
  ixpk= 762, nxpk= 15, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 925, 929,
 &end
#
#    0 AMB  15-3:764     60 ASN  HD21        5.50    (#    764:15  Single Ambig)
 &rst
  ixpk= 764, nxpk= 15, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 965, 951,
 &end
#
#    9 GLY  HN           60 ASN  HD21        3.50    (#    765:15  Preassigned    3.52, 3.52 A)
 &rst
  ixpk= 765, nxpk= 15, iat= 108, 960, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:767     60 ASN  HD21        7.00    (#    767:15  Single Ambig)
 &rst
  ixpk= 767, nxpk= 15, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 937,  83,
 &end
#
#   60 ASN  HB-          60 ASN  HD21        4.50    (#    768:15  Preassigned    3.63, 3.90 A)
 &rst
  ixpk= 768, nxpk= 15, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 955, 956,
 &end
#
#    0 AMB  15-3:770     60 ASN  HD22        5.50    (#    770:15  Single Ambig)
 &rst
  ixpk= 770, nxpk= 15, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 951, 965,
 &end
#
#    9 GLY  HN           60 ASN  HD22        3.50    (#    773:15  Preassigned    2.72, 2.75 A)
 &rst
  ixpk= 773, nxpk= 15, iat= 108, 961, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 PHE  HE           60 ASN  HD22        5.50    (#    774:15  Preassigned    3.18, 3.65 A)
 &rst
  ixpk= 774, nxpk= 15, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 925, 929,
 &end
#
#   60 ASN  HB+          60 ASN  HD22        5.50    (#    777:15  Preassigned    2.54, 3.10 A)
 &rst
  ixpk= 777, nxpk= 15, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 955, 956,
 &end
#
#   60 ASN  HB-          60 ASN  HD22        4.50    (#    778:15  Preassigned    2.54, 3.10 A)
 &rst
  ixpk= 778, nxpk= 15, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 955, 956,
 &end
#
#   50 LYS  HN           49 GLU  HN          2.80    (#    780:15  Preassigned    1.96, 2.23 A)
 &rst
  ixpk= 780, nxpk= 15, iat= 762, 784, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   67 GLU  HN           50 GLU  HN          3.50    (#    781:15  Preassigned    2.76, 2.90 A)
 &rst
  ixpk= 781, nxpk= 15, iat=1053, 784, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:783     50 GLU  HN          4.50    (#    783:15  Single Ambig)
 &rst
  ixpk= 783, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1070,1036,
 &end
#
#   50 GLU  HA           50 GLU  HN          3.50    (#    784:15  Preassigned    2.90, 2.93 A)
 &rst
  ixpk= 784, nxpk= 15, iat= 786, 784, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  HA           50 GLU  HN          4.50    (#    785:15  Preassigned    3.70, 3.78 A)
 &rst
  ixpk= 785, nxpk= 15, iat= 748, 784, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 GLU  HB2          50 GLU  HN          4.50    (#    786:15  Preassigned    4.14, 4.60 A)
 &rst
  ixpk= 786, nxpk= 15, iat=1057, 784, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 GLU  HB2          50 GLU  HN          4.50    (#    787:15  Preassigned    2.88, 3.17 A)
 &rst
  ixpk= 787, nxpk= 15, iat= 788, 784, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:788     50 GLU  HN          2.80    (#    788:15  Single Ambig)
 &rst
  ixpk= 788, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1058, 789,
 &end
#
#    0 AMB  15-3:789     50 GLU  HN          4.50    (#    789:15  Single Ambig)
 &rst
  ixpk= 789, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 766, 772, 773,
 &end
#
#   50 LYS  HB3          49 GLU  HN          2.80    (#    790:15  Preassigned    2.45, 2.57 A)
 &rst
  ixpk= 790, nxpk= 15, iat= 767, 784, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:791     50 GLU  HN          4.50    (#    791:15  Single Ambig)
 &rst
  ixpk= 791, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 769, 770, 269, 270, 271,
 &end
#
#   48 VAL  QG1          50 GLU  HN          3.50    (#    792:15  Preassigned    2.78, 3.38 A)
 &rst
  ixpk= 792, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 752, 753, 754,
 &end
#
#    0 AMB  15-3:793     50 GLU  HN          5.50    (#    793:15  Single Ambig)
 &rst
  ixpk= 793, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 799,1087,
 &end
#
#    0 AMB  15-3:794     50 GLU  HN          4.50    (#    794:15  Single Ambig)
 &rst
  ixpk= 794, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049, 809, 810, 811,
 &end
#
#   30 ILE  HN           56 GLY  HN          7.00    (#    795:15  Preassigned    6.22, 6.47 A)
 &rst
  ixpk= 795, nxpk= 15, iat= 432, 896, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    10 ASN  HN            10 ASN  HD21        5.50    (#    796:15  Preassigned    3.18, 3.23 A)
 &rst
  ixpk= 796, nxpk= 15, iat= 115, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 GLY  HN            9 ASN  HD21        5.50    (#    797:15  Preassigned    5.65, 5.71 A)
 &rst
  ixpk= 797, nxpk= 15, iat= 108, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HB2           10 ASN  HD21        3.50    (#    801:15  Preassigned    2.29, 2.30 A)
 &rst
  ixpk= 801, nxpk= 15, iat= 119, 124, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    10 ASN  HB3           10 ASN  HD21        4.50    (#    802:15  Preassigned    3.50, 3.51 A)
 &rst
  ixpk= 802, nxpk= 15, iat= 120, 124, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HA            10 ASN  HD22        5.50    (#    803:15  Preassigned    4.41, 4.44 A)
 &rst
  ixpk= 803, nxpk= 15, iat= 117, 125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HB2           10 ASN  HD22        4.50    (#    806:15  Preassigned    3.56, 3.57 A)
 &rst
  ixpk= 806, nxpk= 15, iat= 119, 125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    10 ASN  HB3           10 ASN  HD22        5.50    (#    807:15  Preassigned    4.09, 4.10 A)
 &rst
  ixpk= 807, nxpk= 15, iat= 120, 125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HN            10 ASN  HD22        5.50    (#    808:15  Preassigned    4.36, 4.43 A)
 &rst
  ixpk= 808, nxpk= 15, iat= 115, 125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLU  HG-          55 GLY  HN          5.50    (#    809:15  Preassigned    4.02, 4.84 A)
 &rst
  ixpk= 809, nxpk= 15, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 888, 889,
 &end
#
#   56 GLU  HN           55 GLY  HN          5.50    (#    810:15  Preassigned    4.42, 4.49 A)
 &rst
  ixpk= 810, nxpk= 15, iat= 881, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HN           56 GLY  HN          3.50    (#    811:15  Preassigned    2.65, 2.71 A)
 &rst
  ixpk= 811, nxpk= 15, iat= 903, 896, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 TRP  HA           56 GLY  HN          5.50    (#    812:15  Preassigned    3.27, 3.47 A)
 &rst
  ixpk= 812, nxpk= 15, iat= 150, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLY  HA+          56 GLY  HN          3.50    (#    813:15  Preassigned    2.27, 2.61 A)
 &rst
  ixpk= 813, nxpk= 15, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 898, 899,
 &end
#
#   56 GLY  HA-          56 GLY  HN          2.80    (#    814:15  Preassigned    2.27, 2.61 A)
 &rst
  ixpk= 814, nxpk= 15, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 898, 899,
 &end
#
#   56 GLU  HA           55 GLY  HN          2.80    (#    815:15  Preassigned    2.12, 2.13 A)
 &rst
  ixpk= 815, nxpk= 15, iat= 883, 896, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   56 GLU  QB           55 GLY  HN          4.50    (#    817:15  Preassigned    2.76, 3.85 A)
 &rst
  ixpk= 817, nxpk= 15, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 885, 886,
 &end
#
#   11 LEU  HB3          56 GLY  HN          4.50    (#    818:15  Preassigned    2.91, 3.01 A)
 &rst
  ixpk= 818, nxpk= 15, iat= 134, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HB2          56 GLY  HN          4.50    (#    819:15  Preassigned    2.80, 4.46 A)
 &rst
  ixpk= 819, nxpk= 15, iat= 133, 896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 VAL  QG2          56 GLY  HN          5.50    (#    820:15  Preassigned    3.90, 4.93 A)
 &rst
  ixpk= 820, nxpk= 15, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 204, 205, 206,
 &end
#
#   13 TRP  HA           12 LYS  HN          4.50    (#    821:15  Preassigned    3.66, 3.67 A)
 &rst
  ixpk= 821, nxpk= 15, iat= 150, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 TRP  HB2          12 LYS  HN          4.50    (#    822:15  Preassigned    3.87, 4.00 A)
 &rst
  ixpk= 822, nxpk= 15, iat= 152, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:823     13 LYS  HN          4.50    (#    823:15  Single Ambig)
 &rst
  ixpk= 823, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 442, 443, 426, 427, 428, 133,
 &end
#
#    0 AMB  15-3:824     13 LYS  HN          4.50    (#    824:15  Single Ambig)
 &rst
  ixpk= 824, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 179, 180, 138, 139, 140, 142, 143, 144,
 &end
#
#   30 ILE  HN           13 LYS  HN          3.50    (#    825:15  Preassigned    2.66, 2.69 A)
 &rst
  ixpk= 825, nxpk= 15, iat= 432, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 TRP  HN           12 LYS  HN          3.50    (#    826:15  Preassigned    2.48, 3.39 A)
 &rst
  ixpk= 826, nxpk= 15, iat= 148, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HA           13 LYS  HN          3.50    (#    827:15  Preassigned    2.93, 2.94 A)
 &rst
  ixpk= 827, nxpk= 15, iat= 174, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LEU  HA           13 LYS  HN          5.50    (#    828:15  Preassigned    3.78, 4.06 A)
 &rst
  ixpk= 828, nxpk= 15, iat= 131, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 TRP  HB3          12 LYS  HN          3.50    (#    829:15  Preassigned    2.49, 2.62 A)
 &rst
  ixpk= 829, nxpk= 15, iat= 153, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 ILE  HB           13 LYS  HN          3.50    (#    830:15  Preassigned    2.43, 2.61 A)
 &rst
  ixpk= 830, nxpk= 15, iat= 436, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:831     13 LYS  HN          4.50    (#    831:15  Single Ambig)
 &rst
  ixpk= 831, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 136, 177, 182, 183,
 &end
#
#   13 LYS  HB2          13 LYS  HN          3.50    (#    832:15  Preassigned    2.73, 2.88 A)
 &rst
  ixpk= 832, nxpk= 15, iat= 176, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 VAL  QG2          13 LYS  HN          5.50    (#    833:15  Preassigned    4.25, 5.02 A)
 &rst
  ixpk= 833, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 204, 205, 206,
 &end
#
#   14 VAL  HN           13 LYS  HN          5.50    (#    834:15  Preassigned    4.35, 4.36 A)
 &rst
  ixpk= 834, nxpk= 15, iat= 194, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:835     13 LYS  HN          7.00    (#    835:15  Single Ambig)
 &rst
  ixpk= 835, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 167, 220,
 &end
#
#   21 GLN  HE22         70 ASN  HD22        7.00    (#    843:15  Preassigned    4.14, 6.58 A)
 &rst
  ixpk= 843, nxpk= 15, iat= 307,1108, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   70 ASN  HB+          70 ASN  HD21        5.50    (#    845:15  Preassigned    3.53, 3.80 A)
 &rst
  ixpk= 845, nxpk= 15, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1102,1103,
 &end
#
#   70 ASN  HB-          70 ASN  HD21        5.50    (#    846:15  Preassigned    3.53, 3.80 A)
 &rst
  ixpk= 846, nxpk= 15, iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1102,1103,
 &end
#
#   45 ARG  HN           44 SER  HN          5.50    (#    850:15  Preassigned    4.25, 4.32 A)
 &rst
  ixpk= 850, nxpk= 15, iat= 685, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HA           19 GLY  HN          5.50    (#    867:15  Preassigned    3.48, 3.67 A)
 &rst
  ixpk= 867, nxpk= 15, iat= 764, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 ALA  HN           18 GLY  HN          5.50    (#    868:15  Unique         4.54, 4.61 A)
 &rst
  ixpk= 868, nxpk= 15, iat= 265, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HN           19 GLY  HN          3.50    (#    869:15  Preassigned    2.55, 2.77 A)
 &rst
  ixpk= 869, nxpk= 15, iat= 282, 275, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 GLY  HA+          19 GLY  HN          3.50    (#    870:15  Preassigned    2.28, 2.61 A)
 &rst
  ixpk= 870, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 277, 278,
 &end
#
#   19 ALA  HA           18 GLY  HN          2.80    (#    871:15  Preassigned    2.12, 2.18 A)
 &rst
  ixpk= 871, nxpk= 15, iat= 267, 275, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   19 GLY  HA-          19 GLY  HN          2.80    (#    872:15  Preassigned    2.28, 2.61 A)
 &rst
  ixpk= 872, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 277, 278,
 &end
#
#   48 VAL  HB           19 GLY  HN          3.50    (#    873:15  Preassigned    2.73, 2.96 A)
 &rst
  ixpk= 873, nxpk= 15, iat= 750, 275, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 ALA  QB           18 GLY  HN          3.50    (#    874:15  Preassigned    2.98, 3.85 A)
 &rst
  ixpk= 874, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 269, 270, 271,
 &end
#
#   48 VAL  QG2          19 GLY  HN          5.50    (#    875:15  Preassigned    5.02, 5.49 A)
 &rst
  ixpk= 875, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#    0 AMB  15-3:876     19 GLY  HN          5.50    (#    876:15  Single Ambig)
 &rst
  ixpk= 876, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 809, 810, 811, 740, 741, 742,
 &end
#
#    0 AMB  15-3:877     19 GLY  HN          3.50    (#    877:15  Single Ambig)
 &rst
  ixpk= 877, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 733, 734, 735, 752, 753, 754,
 &end
#
#   45 ARG  HN           44 SER  HN          5.50    (#    878:15  Preassigned    4.25, 4.32 A)
 &rst
  ixpk= 878, nxpk= 15, iat= 685, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 SER  HB2          45 SER  HN          3.50    (#    879:15  Preassigned    2.44, 2.54 A)
 &rst
  ixpk= 879, nxpk= 15, iat= 713, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 ARG  HB-          44 SER  HN          4.50    (#    880:15  Preassigned    2.19, 3.24 A)
 &rst
  ixpk= 880, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 689, 690,
 &end
#
#   45 SER  HA           45 SER  HN          3.50    (#    881:15  Preassigned    2.83, 2.89 A)
 &rst
  ixpk= 881, nxpk= 15, iat= 711, 709, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 ARG  HA           44 SER  HN          2.80    (#    883:15  Preassigned    2.27, 2.35 A)
 &rst
  ixpk= 883, nxpk= 15, iat= 687, 709, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   45 SER  HB3          45 SER  HN          4.50    (#    884:15  Preassigned    3.49, 3.57 A)
 &rst
  ixpk= 884, nxpk= 15, iat= 714, 709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 ARG  HB+          44 SER  HN          4.50    (#    885:15  Preassigned    2.19, 3.24 A)
 &rst
  ixpk= 885, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 689, 690,
 &end
#
#   24 LYS  HB2          45 SER  HN          4.50    (#    886:15  Preassigned    2.43, 2.83 A)
 &rst
  ixpk= 886, nxpk= 15, iat= 349, 709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 ARG  HG-          44 SER  HN          5.50    (#    887:15  Preassigned    3.61, 4.66 A)
 &rst
  ixpk= 887, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 692, 693,
 &end
#
#   66 LEU  HN           65 LEU  HN          2.80    (#    890:15  Preassigned    1.92, 2.01 A)
 &rst
  ixpk= 890, nxpk= 15, iat=1015,1034, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   66 LEU  HA           66 LEU  HN          3.50    (#    891:15  Preassigned    2.98, 2.99 A)
 &rst
  ixpk= 891, nxpk= 15, iat=1036,1034, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LEU  HA           65 LEU  HN          4.50    (#    893:15  Preassigned    3.62, 3.64 A)
 &rst
  ixpk= 893, nxpk= 15, iat=1017,1034, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 VAL  HA           66 LEU  HN          4.50    (#    894:15  Preassigned    4.09, 4.20 A)
 &rst
  ixpk= 894, nxpk= 15, iat=1001,1034, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 VAL  HB           66 LEU  HN          3.50    (#    895:15  Preassigned    2.77, 3.19 A)
 &rst
  ixpk= 895, nxpk= 15, iat=  22,1034, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LEU  HB+          66 LEU  HN          4.50    (#    896:15  Preassigned    2.47, 3.02 A)
 &rst
  ixpk= 896, nxpk= 15, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1038,1039,
 &end
#
#    0 AMB  15-3:897     66 LEU  HN          2.80    (#    897:15  Single Ambig)
 &rst
  ixpk= 897, nxpk= 15, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1020,1038,1039,
 &end
#
#   66 LEU  HG           66 LEU  HN          5.50    (#    898:15  Preassigned    3.13, 4.10 A)
 &rst
  ixpk= 898, nxpk= 15, iat=1041,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HG           65 LEU  HN          5.50    (#    899:15  Preassigned    3.42, 3.96 A)
 &rst
  ixpk= 899, nxpk= 15, iat=1022,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:900     66 LEU  HN          4.50    (#    900:15  Single Ambig)
 &rst
  ixpk= 900, nxpk= 15, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 822, 823,1019,
 &end
#
#    0 AMB  15-3:901     66 LEU  HN          4.50    (#    901:15  Single Ambig)
 &rst
  ixpk= 901, nxpk= 15, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  24,  25,  26,1009,1010,1011,
 &end
#
#    0 AMB  15-3:902     66 LEU  HN          3.50    (#    902:15  Single Ambig)
 &rst
  ixpk= 902, nxpk= 15, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1043,1044,1045,1047,1048,1049,1043,1044,1045,1047,
      1048,1049,1005,1006,1007,
 &end
#
#    6 GLN  HG+           6 GLN  HE21        4.50    (#    907:15  Preassigned    2.31, 3.79 A)
 &rst
  ixpk= 907, nxpk= 15, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  71,  72,
 &end
#
#    0 AMB  15-3:908      0 AMB  15-1:908    4.50    (#    908:15  Double Ambig)
 &rst
  ixpk= 908, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 301, 302,  71,  72,
 igr2= 306,  76,
 &end
#
#    0 AMB  15-3:909      6 GLN  HE21        4.50    (#    909:15  Single Ambig)
 &rst
  ixpk= 909, nxpk= 15, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  51,  52,  53, 601, 602, 603,
 &end
#
#   70 ASN  HD22         21 GLN  HE21        7.00    (#    911:15  Preassigned    5.23, 6.29 A)
 &rst
  ixpk= 911, nxpk= 15, iat=1108, 306, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:915      6 GLN  HE22        4.50    (#    915:15  Single Ambig)
 &rst
  ixpk= 915, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  51,  52,  53, 601, 602, 603,
 &end
#
#    0 AMB  15-3:916      6 GLN  HE22        5.50    (#    916:15  Single Ambig)
 &rst
  ixpk= 916, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 634, 635, 636, 641, 642, 643,
 &end
#
#   40 ILE  HA            6 GLN  HE22        5.50    (#    919:15  Preassigned    3.32, 4.08 A)
 &rst
  ixpk= 919, nxpk= 15, iat= 630,  77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HG+           6 GLN  HE22        5.50    (#    920:15  Preassigned    2.22, 2.98 A)
 &rst
  ixpk= 920, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  72,
 &end
#
#    0 AMB  15-3:921      0 AMB  15-1:921    5.50    (#    921:15  Double Ambig)
 &rst
  ixpk= 921, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 301, 302,  71,  72,
 igr2= 307,  77,
 &end
#
#    0 AMB  15-3:922      0 AMB  15-1:922    5.50    (#    922:15  Double Ambig)
 &rst
  ixpk= 922, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 722, 723, 714,  47,
 igr2= 307,  77,
 &end
#
#   21 GLN  HG+          21 GLN  HE22        5.50    (#    927:15  Preassigned    2.17, 2.98 A)
 &rst
  ixpk= 927, nxpk= 15, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 301, 302,
 &end
#
#   33 SER  HN           35 BTL  HN          5.50    (#    930:15  Preassigned    3.11, 3.22 A)
 &rst
  ixpk= 930, nxpk= 15, iat= 485, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 MET  HN           34 BTL  HN          4.50    (#    931:15  Preassigned    2.62, 2.74 A)
 &rst
  ixpk= 931, nxpk= 15, iat= 496, 513, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 MET  HN           35 BTL  HN          3.50    (#    932:15  Preassigned    2.42, 2.61 A)
 &rst
  ixpk= 932, nxpk= 15, iat= 563, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 SER  HA           35 BTL  HN          5.50    (#    933:15  Preassigned    4.24, 4.37 A)
 &rst
  ixpk= 933, nxpk= 15, iat= 487, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 MET  HA           34 BTL  HN          3.50    (#    934:15  Preassigned    2.57, 2.61 A)
 &rst
  ixpk= 934, nxpk= 15, iat= 498, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLU  HA           35 BTL  HN          5.50    (#    935:15  Preassigned    4.26, 4.49 A)
 &rst
  ixpk= 935, nxpk= 15, iat= 472, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HA           35 BTL  HN          2.80    (#    936:15  Preassigned    2.15, 2.17 A)
 &rst
  ixpk= 936, nxpk= 15, iat= 515, 513, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  15-3:937     35 BTL  HN          5.50    (#    937:15  Single Ambig)
 &rst
  ixpk= 937, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 545, 503, 504,
 &end
#
#    0 AMB  15-3:938     35 BTL  HN          4.50    (#    938:15  Single Ambig)
 &rst
  ixpk= 938, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 517, 500, 501,
 &end
#
#   32 GLU  HG+          35 BTL  HN          4.50    (#    939:15  Preassigned    1.94, 2.82 A)
 &rst
  ixpk= 939, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 477, 478,
 &end
#
#   35 BTL  HB3          35 BTL  HN          5.50    (#    940:15  Preassigned    3.93, 4.07 A)
 &rst
  ixpk= 940, nxpk= 15, iat= 518, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HG-          35 BTL  HN          3.50    (#    941:15  Preassigned    1.94, 2.82 A)
 &rst
  ixpk= 941, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 477, 478,
 &end
#
#   35 BTL  HD+          35 BTL  HN          5.50    (#    942:15  Unique         2.70, 5.39 A)
 &rst
  ixpk= 942, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 523, 524,
 &end
#
#   35 BTL  HG+          35 BTL  HN          4.50    (#    943:15  Preassigned    3.08, 3.59 A)
 &rst
  ixpk= 943, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 520, 521,
 &end
#
#    0 AMB  15-3:944     35 BTL  HN          4.50    (#    944:15  Single Ambig)
 &rst
  ixpk= 944, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 520, 521, 540,
 &end
#
#   26 GLN  HG-          26 GLN  HE21        3.50    (#    951:15  Unique         2.27, 3.76 A)
 &rst
  ixpk= 951, nxpk= 15, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 381, 382,
 &end
#
#   27 GLU  HG-          26 GLN  HE21        7.00    (#    952:15  Preassigned    4.86, 7.14 A)
 &rst
  ixpk= 952, nxpk= 15, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 398, 399,
 &end
#
#   26 GLN  HG+          26 GLN  HE21        3.50    (#    954:15  Preassigned    2.27, 3.76 A)
 &rst
  ixpk= 954, nxpk= 15, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 381, 382,
 &end
#
#   16 VAL  QG1          26 GLN  HE21        4.50    (#    955:15  Preassigned    3.04, 4.01 A)
 &rst
  ixpk= 955, nxpk= 15, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 233, 234, 235,
 &end
#
#   22 ILE  QG2          26 GLN  HE21        5.50    (#    956:15  Preassigned    2.26, 3.46 A)
 &rst
  ixpk= 956, nxpk= 15, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 317, 318, 319,
 &end
#
#   22 ILE  HA           26 GLN  HE22        5.50    (#    959:15  Preassigned    2.35, 4.61 A)
 &rst
  ixpk= 959, nxpk= 15, iat= 313, 387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HG+          26 GLN  HE22        5.50    (#    960:15  Preassigned    2.24, 2.93 A)
 &rst
  ixpk= 960, nxpk= 15, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 381, 382,
 &end
#
#   26 GLN  HG-          26 GLN  HE22        4.50    (#    961:15  Preassigned    2.24, 2.93 A)
 &rst
  ixpk= 961, nxpk= 15, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 381, 382,
 &end
#
#   16 VAL  QG1          26 GLN  HE22        4.50    (#    962:15  Preassigned    3.70, 4.53 A)
 &rst
  ixpk= 962, nxpk= 15, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 233, 234, 235,
 &end
#
#   22 ILE  QG2          26 GLN  HE22        5.50    (#    963:15  Preassigned    2.55, 4.36 A)
 &rst
  ixpk= 963, nxpk= 15, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 317, 318, 319,
 &end
#
#   22 ILE  HN           46 GLY  HN          4.50    (#    964:15  Preassigned    2.72, 2.89 A)
 &rst
  ixpk= 964, nxpk= 15, iat= 311, 720, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 SER  HA           45 GLY  HN          2.80    (#    966:15  Preassigned    2.26, 2.38 A)
 &rst
  ixpk= 966, nxpk= 15, iat= 711, 720, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   46 GLY  HA+          46 GLY  HN          4.50    (#    967:15  Preassigned    2.65, 2.82 A)
 &rst
  ixpk= 967, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 722, 723,
 &end
#
#    0 AMB  15-3:968     46 GLY  HN          4.50    (#    968:15  Single Ambig)
 &rst
  ixpk= 968, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 714, 722, 723,
 &end
#
#   46 SER  HB2          45 GLY  HN          4.50    (#    969:15  Preassigned    3.62, 3.77 A)
 &rst
  ixpk= 969, nxpk= 15, iat= 713, 720, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-3:970     46 GLY  HN          5.50    (#    970:15  Single Ambig)
 &rst
  ixpk= 970, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 315, 731,
 &end
#
#   22 ILE  HG1-         46 GLY  HN          4.50    (#    971:15  Preassigned    2.61, 3.01 A)
 &rst
  ixpk= 971, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 321, 322,
 &end
#
#   22 ILE  HG1+         46 GLY  HN          5.50    (#    972:15  Preassigned    2.61, 3.01 A)
 &rst
  ixpk= 972, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 321, 322,
 &end
#
#   22 ILE  QD1          46 GLY  HN          5.50    (#    974:15  Preassigned    4.46, 5.07 A)
 &rst
  ixpk= 974, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 324, 325, 326,
 &end
#
#    0 AMB  15-3:976     16 VAL  HN          5.50    (#    976:15  Single Ambig)
 &rst
  ixpk= 976, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 412, 413, 414, 752, 753, 754,
 &end
#
#   48 VAL  QG2          16 VAL  HN          5.50    (#    977:15  Preassigned    5.84, 6.90 A)
 &rst
  ixpk= 977, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#   48 VAL  QG1          16 VAL  HN          7.00    (#    978:15  Preassigned    6.02, 7.24 A)
 &rst
  ixpk= 978, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 752, 753, 754,
 &end
#
#   28 VAL  HN           16 VAL  HN          7.00    (#    979:15  Preassigned    7.07, 7.09 A)
 &rst
  ixpk= 979, nxpk= 15, iat= 406, 227, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:980     16 VAL  HN          3.50    (#    980:15  Single Ambig)
 &rst
  ixpk= 980, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 229, 212,
 &end
#
#    0 AMB  15-3:981     16 VAL  HN          5.50    (#    981:15  Single Ambig)
 &rst
  ixpk= 981, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 198, 803,
 &end
#
#   14 VAL  QG1          16 VAL  HN          3.50    (#    982:15  Preassigned    2.13, 3.05 A)
 &rst
  ixpk= 982, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 200, 201, 202,
 &end
#
#   16 VAL  QG1          16 VAL  HN          4.50    (#    983:15  Preassigned    3.35, 4.09 A)
 &rst
  ixpk= 983, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 233, 234, 235,
 &end
#
#   16 HID  HN           15 VAL  HN          3.50    (#    984:15  Preassigned    2.16, 2.22 A)
 &rst
  ixpk= 984, nxpk= 15, iat= 210, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 VAL  QG2          16 VAL  HN          2.80    (#    986:15  Preassigned    2.23, 2.91 A)
 &rst
  ixpk= 986, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 237, 238, 239,
 &end
#
#   16 VAL  HA           16 VAL  HN          4.50    (#    987:15  Preassigned    2.96, 2.97 A)
 &rst
  ixpk= 987, nxpk= 15, iat= 229, 227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 VAL  QG1          16 VAL  HN          3.50    (#    988:15  Preassigned    3.35, 4.09 A)
 &rst
  ixpk= 988, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 233, 234, 235,
 &end
#
#   48 VAL  QG2          16 VAL  HN          5.50    (#    989:15  Preassigned    5.84, 6.90 A)
 &rst
  ixpk= 989, nxpk= 15, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#   59 VAL  QG1           9 GLY  HN          7.00    (#    991:15  Unique         6.22, 6.55 A)
 &rst
  ixpk= 991, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 941, 942, 943,
 &end
#
#   59 VAL  HN            9 GLY  HN          3.50    (#    992:15  Preassigned    3.33, 3.38 A)
 &rst
  ixpk= 992, nxpk= 15, iat= 935, 108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:993      9 GLY  HN          5.50    (#    993:15  Single Ambig)
 &rst
  ixpk= 993, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 951, 965,
 &end
#
#   60 ASN  HD21          9 GLY  HN          3.50    (#    994:15  Preassigned    3.52, 3.52 A)
 &rst
  ixpk= 994, nxpk= 15, iat= 960, 108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASN  HA            9 GLY  HN          4.50    (#    995:15  Preassigned    3.02, 3.10 A)
 &rst
  ixpk= 995, nxpk= 15, iat= 953, 108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 ALA  HA            8 GLY  HN          2.80    (#    996:15  Preassigned    2.21, 2.23 A)
 &rst
  ixpk= 996, nxpk= 15, iat= 100, 108, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    9 GLY  HA+           9 GLY  HN          3.50    (#    997:15  Preassigned    2.81, 2.84 A)
 &rst
  ixpk= 997, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 110, 111,
 &end
#
#    9 GLY  HA-           9 GLY  HN          3.50    (#    998:15  Preassigned    2.81, 2.84 A)
 &rst
  ixpk= 998, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 110, 111,
 &end
#
#    0 AMB  15-3:999      9 GLY  HN          5.50    (#    999:15  Single Ambig)
 &rst
  ixpk= 999, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 507, 508, 509, 939,
 &end
#
#    9 ALA  QB            8 GLY  HN          3.50    (#   1000:15  Preassigned    3.26, 3.94 A)
 &rst
  ixpk= 1000, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 102, 103, 104,
 &end
#
#    5 ILE  QG2           9 GLY  HN          5.50    (#   1001:15  Preassigned    4.80, 5.50 A)
 &rst
  ixpk= 1001, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#   59 VAL  QG2           9 GLY  HN          4.50    (#   1002:15  Preassigned    3.10, 4.24 A)
 &rst
  ixpk= 1002, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 945, 946, 947,
 &end
#
#    0 AMB  15-3:1003     9 GLY  HN          4.50    (#   1003:15  Single Ambig)
 &rst
  ixpk= 1003, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    0 AMB  15-3:1004     9 GLY  HN          5.50    (#   1004:15  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 925, 929,  81,
 &end
#
#   58 PHE  HD            9 GLY  HN          5.50    (#   1005:15  Preassigned    4.66, 5.66 A)
 &rst
  ixpk= 1005, nxpk= 15, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 931,
 &end
#
#    0 AMB  15-3:1006    49 LYS  HN          5.50    (#   1006:15  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 15, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1058,1038,1039, 789,
 &end
#
#   67 GLU  HB2          49 LYS  HN          5.50    (#   1007:15  Preassigned    5.50, 5.74 A)
 &rst
  ixpk= 1007, nxpk= 15, iat=1057, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 VAL  HB           48 LYS  HN          5.50    (#   1008:15  Preassigned    4.03, 4.28 A)
 &rst
  ixpk= 1008, nxpk= 15, iat= 750, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 GLY  HN           49 LYS  HN          5.50    (#   1009:15  Preassigned    4.56, 4.79 A)
 &rst
  ixpk= 1009, nxpk= 15, iat= 275, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 VAL  HN           48 LYS  HN          5.50    (#   1010:15  Preassigned    4.47, 4.54 A)
 &rst
  ixpk= 1010, nxpk= 15, iat= 746, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HB3          12 TRP  HN          5.50    (#   1011:15  Preassigned    3.26, 3.41 A)
 &rst
  ixpk= 1011, nxpk= 15, iat= 475, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1012    12 TRP  HN          5.50    (#   1012:15  Single Ambig)
 &rst
  ixpk= 1012, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 120, 559,
 &end
#
#   55 GLU  HG-          12 TRP  HN          7.00    (#   1013:15  Preassigned    6.33, 7.42 A)
 &rst
  ixpk= 1013, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 888, 889,
 &end
#
#    10 ASN  HB2          12 TRP  HN          5.50    (#   1014:15  Preassigned    3.94, 4.13 A)
 &rst
  ixpk= 1014, nxpk= 15, iat= 119, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1015    12 TRP  HN          5.50    (#   1015:15  Single Ambig)
 &rst
  ixpk= 1015, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 174, 582,
 &end
#
#    0 AMB  15-3:1016    12 TRP  HN          5.50    (#   1016:15  Single Ambig)
 &rst
  ixpk= 1016, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 117, 472,
 &end
#
#   12 TRP  HD1          12 TRP  HN          5.50    (#   1017:15  Preassigned    4.90, 4.96 A)
 &rst
  ixpk= 1017, nxpk= 15, iat= 156, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HN           12 TRP  HN          5.50    (#   1021:15  Preassigned    4.40, 5.09 A)
 &rst
  ixpk= 1021, nxpk= 15, iat= 451, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 LEU  HN           11 TRP  HN          5.50    (#   1022:15  Preassigned    3.61, 3.75 A)
 &rst
  ixpk= 1022, nxpk= 15, iat= 129, 148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1023    31 LEU  HN          5.50    (#   1023:15  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 458, 460, 461, 462, 464, 465, 466, 460, 461, 462,
       464, 465, 466, 138, 139, 140, 142, 143, 144,
 &end
#
#   40 ILE  QD1          31 LEU  HN          5.50    (#   1024:15  Preassigned    3.21, 4.28 A)
 &rst
  ixpk= 1024, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 641, 642, 643,
 &end
#
#   38 ILE  HG1-         31 LEU  HN          5.50    (#   1026:15  Preassigned    4.81, 5.52 A)
 &rst
  ixpk= 1026, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 605, 606,
 &end
#
#   40 ILE  HG1-         31 LEU  HN          5.50    (#   1027:15  Preassigned    2.74, 3.52 A)
 &rst
  ixpk= 1027, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 638, 639,
 &end
#
#   39 PRO  HG+          31 LEU  HN          7.00    (#   1029:15  Unique         6.45, 6.80 A)
 &rst
  ixpk= 1029, nxpk= 15, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 618, 619,
 &end
#
#   31 ILE  HN           30 LEU  HN          5.50    (#   1030:15  Preassigned    4.21, 4.27 A)
 &rst
  ixpk= 1030, nxpk= 15, iat= 432, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HD-          12 TRP  HE1         5.50    (#   1031:15  Preassigned    2.68, 4.31 A)
 &rst
  ixpk= 1031, nxpk= 15, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 183,
 &end
#
#   35 BTL  H73          12 TRP  HE1         7.00    (#   1032:15  Preassigned    6.09, 6.65 A)
 &rst
  ixpk= 1032, nxpk= 15, iat= 543, 158, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   30 ILE  HB           12 TRP  HE1         7.00    (#   1033:15  Preassigned    5.78, 5.93 A)
 &rst
  ixpk= 1033, nxpk= 15, iat= 436, 158, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   35 BTL  H5           12 TRP  HE1         7.00    (#   1034:15  Preassigned    5.75, 5.88 A)
 &rst
  ixpk= 1034, nxpk= 15, iat= 551, 158, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   12 TRP  HB2          12 TRP  HE1         5.50    (#   1035:15  Preassigned    5.15, 5.16 A)
 &rst
  ixpk= 1035, nxpk= 15, iat= 152, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HA           12 TRP  HE1         7.00    (#   1037:15  Preassigned    5.88, 6.15 A)
 &rst
  ixpk= 1037, nxpk= 15, iat= 174, 158, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   12 TRP  HA           12 TRP  HE1         5.50    (#   1038:15  Preassigned    5.05, 5.22 A)
 &rst
  ixpk= 1038, nxpk= 15, iat= 150, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HN2          12 TRP  HE1         5.50    (#   1039:15  Preassigned    4.09, 4.57 A)
 &rst
  ixpk= 1039, nxpk= 15, iat= 557, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HN3          12 TRP  HE1         5.50    (#   1040:15  Preassigned    5.43, 5.52 A)
 &rst
  ixpk= 1040, nxpk= 15, iat= 553, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HG+          35 BTL  HZ1         4.50    (#   1042:15  Preassigned    2.25, 3.10 A)
 &rst
  ixpk= 1042, nxpk= 15, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 520, 521,
 &end
#
#   35 BTL  HB3          35 BTL  HZ1         5.50    (#   1043:15  Preassigned    3.93, 4.72 A)
 &rst
  ixpk= 1043, nxpk= 15, iat= 518, 529, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HA           35 BTL  HZ1         5.50    (#   1045:15  Preassigned    3.76, 4.85 A)
 &rst
  ixpk= 1045, nxpk= 15, iat= 515, 529, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  QG2          27 GLU  HN          5.50    (#   1047:15  Preassigned    5.89, 6.88 A)
 &rst
  ixpk= 1047, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 416, 417, 418,
 &end
#
#   28 VAL  QG1          27 GLU  HN          5.50    (#   1048:15  Preassigned    4.88, 5.77 A)
 &rst
  ixpk= 1048, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 412, 413, 414,
 &end
#
#   42 ALA  QB           27 GLU  HN          7.00    (#   1049:15  Preassigned    6.01, 6.70 A)
 &rst
  ixpk= 1049, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 667, 668, 669,
 &end
#
#   23 GLU  HB3          27 GLU  HN          7.00    (#   1050:15  Preassigned    6.80, 7.12 A)
 &rst
  ixpk= 1050, nxpk= 15, iat= 335, 391, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   39 PRO  HB+          27 GLU  HN          7.00    (#   1052:15  Preassigned    6.25, 6.89 A)
 &rst
  ixpk= 1052, nxpk= 15, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 621, 622,
 &end
#
#   28 VAL  HA           27 GLU  HN          5.50    (#   1054:15  Preassigned    5.40, 5.51 A)
 &rst
  ixpk= 1054, nxpk= 15, iat= 408, 391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HD2          27 GLU  HN          7.00    (#   1055:15  Preassigned    6.77, 6.89 A)
 &rst
  ixpk= 1055, nxpk= 15, iat= 223, 391, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   32 GLU  HB2          34 MET  HN          7.00    (#   1056:15  Unique         5.47, 5.54 A)
 &rst
  ixpk= 1056, nxpk= 15, iat= 474, 496, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   32 GLU  HG-          34 MET  HN          5.50    (#   1057:15  Preassigned    3.17, 3.92 A)
 &rst
  ixpk= 1057, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 478,
 &end
#
#   52 LYS  QD           51 VAL  HN          5.50    (#   1058:15  Preassigned    4.11, 5.43 A)
 &rst
  ixpk= 1058, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 825, 826,
 &end
#
#   34 MET  QE           34 MET  HN          5.50    (#   1059:15  Preassigned    3.59, 4.54 A)
 &rst
  ixpk= 1059, nxpk= 15, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 507, 508, 509,
 &end
#
#   51 GLU  HG+          50 VAL  HN          4.50    (#   1060:15  Preassigned    2.13, 2.87 A)
 &rst
  ixpk= 1060, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 791, 792,
 &end
#
#   36 MET  HN           34 MET  HN          5.50    (#   1062:15  Preassigned    3.94, 3.98 A)
 &rst
  ixpk= 1062, nxpk= 15, iat= 563, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 SER  HN           33 MET  HN          5.50    (#   1063:15  Preassigned    3.36, 3.41 A)
 &rst
  ixpk= 1063, nxpk= 15, iat= 485, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1064    51 VAL  HN          5.50    (#   1064:15  Single Ambig)
 &rst
  ixpk= 1064, nxpk= 15, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 265,1053,
 &end
#
#   22 ILE  HG1+         42 ALA  HN          7.00    (#   1067:15  Preassigned    6.11, 6.86 A)
 &rst
  ixpk= 1067, nxpk= 15, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 321, 322,
 &end
#
#   26 GLN  HB3          42 ALA  HN          5.50    (#   1069:15  Preassigned    3.49, 3.57 A)
 &rst
  ixpk= 1069, nxpk= 15, iat= 379, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1070    42 ALA  HN          5.50    (#   1070:15  Single Ambig)
 &rst
  ixpk= 1070, nxpk= 15, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 378, 410,
 &end
#
#   25 GLY  HA-          42 ALA  HN          5.50    (#   1072:15  Preassigned    4.05, 4.81 A)
 &rst
  ixpk= 1072, nxpk= 15, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 369, 370,
 &end
#
#   73 GLN  QG           73 GLN  HN          5.50    (#   1080:15  Preassigned    2.37, 3.54 A)
 &rst
  ixpk= 1080, nxpk= 15, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1144,1145,
 &end
#
#   39 PRO  HD-          38 ILE  HN          5.50    (#   1081:15  Preassigned    4.25, 4.55 A)
 &rst
  ixpk= 1081, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 615, 616,
 &end
#
#   39 PRO  HD+          38 ILE  HN          5.50    (#   1082:15  Preassigned    4.25, 4.55 A)
 &rst
  ixpk= 1082, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 615, 616,
 &end
#
#   38 ILE  HA           38 ILE  HN          3.50    (#   1083:15  Preassigned    2.95, 2.96 A)
 &rst
  ixpk= 1083, nxpk= 15, iat= 597, 595, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-3:1084    68 LEU  HN          5.50    (#   1084:15  Single Ambig)
 &rst
  ixpk= 1084, nxpk= 15, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1077,1078,1079, 752, 753, 754,
 &end
#
#    0 AMB  15-3:1085     0 AMB  15-1:1085   5.50    (#   1085:15  Double Ambig)
 &rst
  ixpk= 1085, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=1081,1082,1083, 460, 461, 462, 464, 465, 466, 460,
       461, 462, 464, 465, 466, 458,
 igr2=1068, 595,
 &end
#
#   52 LYS  HG+          68 LEU  HN          7.00    (#   1086:15  Preassigned    6.57, 7.29 A)
 &rst
  ixpk= 1086, nxpk= 15, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 822, 823,
 &end
#
#   68 GLU  HG+          67 LEU  HN          5.50    (#   1087:15  Preassigned    2.48, 3.12 A)
 &rst
  ixpk= 1087, nxpk= 15, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1060,1061,
 &end
#
#    0 AMB  15-3:1088    38 ILE  HN          5.50    (#   1088:15  Single Ambig)
 &rst
  ixpk= 1088, nxpk= 15, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 567, 618, 619,
 &end
#
#   69 SER  QB           68 LEU  HN          7.00    (#   1089:15  Preassigned    6.42, 6.92 A)
 &rst
  ixpk= 1089, nxpk= 15, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1091,1092,
 &end
#
#   68 GLU  HN           67 LEU  HN          5.50    (#   1091:15  Preassigned    4.27, 4.32 A)
 &rst
  ixpk= 1091, nxpk= 15, iat=1053,1068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 SER  HN           68 LEU  HN          5.50    (#   1092:15  Preassigned    4.39, 4.45 A)
 &rst
  ixpk= 1092, nxpk= 15, iat=1087,1068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1093     6 GLN  HN          5.50    (#   1093:15  Single Ambig)
 &rst
  ixpk= 1093, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    6 ILE  HG1+          5 GLN  HN          5.50    (#   1094:15  Preassigned    4.31, 5.00 A)
 &rst
  ixpk= 1094, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#   18 ALA  QB           48 VAL  HN          7.00    (#   1095:15  Preassigned    6.80, 7.46 A)
 &rst
  ixpk= 1095, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 269, 270, 271,
 &end
#
#    0 AMB  15-3:1096     6 GLN  HN          5.50    (#   1096:15  Single Ambig)
 &rst
  ixpk= 1096, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 638, 639,  55,  56,
 &end
#
#   40 ILE  HG1-          6 GLN  HN          5.50    (#   1097:15  Preassigned    3.93, 5.85 A)
 &rst
  ixpk= 1097, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 638, 639,
 &end
#
#   21 GLN  QB           48 VAL  HN          7.00    (#   1098:15  Preassigned    4.83, 5.91 A)
 &rst
  ixpk= 1098, nxpk= 15, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 298, 299,
 &end
#
#   20 ASP  HB2          48 VAL  HN          5.50    (#   1100:15  Preassigned    5.16, 5.31 A)
 &rst
  ixpk= 1100, nxpk= 15, iat= 286, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HA            6 GLN  HN          5.50    (#   1103:15  Preassigned    4.72, 4.81 A)
 &rst
  ixpk= 1103, nxpk= 15, iat=  83,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ALA  HA            6 GLN  HN          7.00    (#   1104:15  Preassigned    6.77, 6.86 A)
 &rst
  ixpk= 1104, nxpk= 15, iat= 100,  64, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   60 ASN  HA            6 GLN  HN          7.00    (#   1105:15  Preassigned    6.11, 6.21 A)
 &rst
  ixpk= 1105, nxpk= 15, iat= 953,  64, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   68 LEU  HA           48 VAL  HN          5.50    (#   1108:15  Preassigned    4.70, 4.80 A)
 &rst
  ixpk= 1108, nxpk= 15, iat=1070, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  QD-          65 LEU  HN          4.50    (#   1111:15  Preassigned    4.85, 5.48 A)
 &rst
  ixpk= 1111, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1024,1025,1026,1028,1029,1030,
 &end
#
#   53 LYS  HB3          11 LEU  HN          7.00    (#   1112:15  Unique         5.19, 5.44 A)
 &rst
  ixpk= 1112, nxpk= 15, iat= 842, 129, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   66 LEU  HB+          65 LEU  HN          5.50    (#   1113:15  Unique         4.25, 4.92 A)
 &rst
  ixpk= 1113, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1038,1039,
 &end
#
#   53 LYS  HG+          65 LEU  HN          5.50    (#   1114:15  Preassigned    4.86, 5.29 A)
 &rst
  ixpk= 1114, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 844, 845,
 &end
#
#    0 AMB  15-3:1117    11 LEU  HN          5.50    (#   1117:15  Single Ambig)
 &rst
  ixpk= 1117, nxpk= 15, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 152, 919,
 &end
#
#    0 AMB  15-3:1118    65 LEU  HN          5.50    (#   1118:15  Single Ambig)
 &rst
  ixpk= 1118, nxpk= 15, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  39,  38,
 &end
#
#   55 GLU  HA           11 LEU  HN          5.50    (#   1119:15  Preassigned    4.87, 5.46 A)
 &rst
  ixpk= 1119, nxpk= 15, iat= 883, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HN           65 LEU  HN          7.00    (#   1121:15  Preassigned    5.88, 6.08 A)
 &rst
  ixpk= 1121, nxpk= 15, iat=1053,1015, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   59 VAL  QG2          32 GLU  HN          5.50    (#   1122:15  Unique         5.42, 5.65 A)
 &rst
  ixpk= 1122, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 945, 946, 947,
 &end
#
#   40 ILE  HG1-         32 GLU  HN          7.00    (#   1123:15  Preassigned    6.48, 6.84 A)
 &rst
  ixpk= 1123, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 638, 639,
 &end
#
#   30 ILE  QG2          32 GLU  HN          5.50    (#   1124:15  Preassigned    4.22, 5.40 A)
 &rst
  ixpk= 1124, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   32 GLU  HG-          32 GLU  HN          5.50    (#   1125:15  Preassigned    4.41, 4.59 A)
 &rst
  ixpk= 1125, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 477, 478,
 &end
#
#    0 AMB  15-3:1129    32 GLU  HN          5.50    (#   1129:15  Single Ambig)
 &rst
  ixpk= 1129, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 120, 559, 545,
 &end
#
#   12 TRP  HB3          32 GLU  HN          5.50    (#   1130:15  Preassigned    3.10, 3.26 A)
 &rst
  ixpk= 1130, nxpk= 15, iat= 153, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HB2          32 GLU  HN          5.50    (#   1131:15  Preassigned    5.51, 5.53 A)
 &rst
  ixpk= 1131, nxpk= 15, iat= 489, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 GLY  HA-          32 GLU  HN          5.50    (#   1132:15  Preassigned    4.48, 5.00 A)
 &rst
  ixpk= 1132, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#    9 GLY  HA+          32 GLU  HN          5.50    (#   1133:15  Preassigned    4.48, 5.00 A)
 &rst
  ixpk= 1133, nxpk= 15, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#   12 TRP  HA           32 GLU  HN          5.50    (#   1135:15  Preassigned    4.19, 4.37 A)
 &rst
  ixpk= 1135, nxpk= 15, iat= 150, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HN           32 GLU  HN          5.50    (#   1136:15  Preassigned    4.29, 4.32 A)
 &rst
  ixpk= 1136, nxpk= 15, iat= 485, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1137     4 SER  HN          7.00    (#   1137:15  Single Ambig)
 &rst
  ixpk= 1137, nxpk= 15, iat=  -1,  34, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=1024,1025,1026,1028,1029,1030, 634, 635, 636,
 &end
#
#   64 VAL  QG1           4 SER  HN          7.00    (#   1138:15  Preassigned    6.25, 7.42 A)
 &rst
  ixpk= 1138, nxpk= 15, iat=  -1,  34, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1005,1006,1007,
 &end
#
#   65 LEU  HB2           4 SER  HN          5.50    (#   1139:15  Preassigned    4.32, 4.90 A)
 &rst
  ixpk= 1139, nxpk= 15, iat=1019,  34, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 VAL  HB            3 SER  HN          5.50    (#   1140:15  Preassigned    3.55, 3.72 A)
 &rst
  ixpk= 1140, nxpk= 15, iat=  22,  34, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 VAL  HA            4 SER  HN          5.50    (#   1141:15  Preassigned    5.02, 5.13 A)
 &rst
  ixpk= 1141, nxpk= 15, iat=1001,  34, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 ALA  HA            4 SER  HN          7.00    (#   1142:15  Preassigned    6.49, 6.90 A)
 &rst
  ixpk= 1142, nxpk= 15, iat= 665,  34, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    6 GLN  HN            4 SER  HN          7.00    (#   1144:15  Preassigned    6.63, 6.72 A)
 &rst
  ixpk= 1144, nxpk= 15, iat=  64,  34, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   48 VAL  QG1          52 LYS  HN          5.50    (#   1145:15  Preassigned    5.82, 6.45 A)
 &rst
  ixpk= 1145, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 752, 753, 754,
 &end
#
#   64 VAL  QG2          52 LYS  HN          7.00    (#   1147:15  Preassigned    5.22, 6.07 A)
 &rst
  ixpk= 1147, nxpk= 15, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1009,1010,1011,
 &end
#
#   52 VAL  HB           51 LYS  HN          5.50    (#   1149:15  Preassigned    4.06, 4.18 A)
 &rst
  ixpk= 1149, nxpk= 15, iat= 803, 815, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HN           52 LYS  HN          5.50    (#   1150:15  Preassigned    4.22, 4.32 A)
 &rst
  ixpk= 1150, nxpk= 15, iat=1034, 815, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 LEU  HG           40 ILE  HN          5.50    (#   1151:15  Preassigned    5.41, 5.52 A)
 &rst
  ixpk= 1151, nxpk= 15, iat= 458, 628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  QG2          40 ILE  HN          5.50    (#   1153:15  Preassigned    5.39, 6.53 A)
 &rst
  ixpk= 1153, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 601, 602, 603,
 &end
#
#    0 AMB  15-3:1154    40 ILE  HN          4.50    (#   1154:15  Single Ambig)
 &rst
  ixpk= 1154, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 442, 443, 426, 427, 428,
 &end
#
#   40 PRO  HD-          39 ILE  HN          5.50    (#   1155:15  Preassigned    5.58, 5.60 A)
 &rst
  ixpk= 1155, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 615, 616,
 &end
#
#    0 AMB  15-3:1156    40 ILE  HN          5.50    (#   1156:15  Single Ambig)
 &rst
  ixpk= 1156, nxpk= 15, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 424, 615, 616,
 &end
#
#   15 HID  HD2          40 ILE  HN          5.50    (#   1157:15  Preassigned    5.21, 5.31 A)
 &rst
  ixpk= 1157, nxpk= 15, iat= 223, 628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 LYS  HG+          13 VAL  HN          5.50    (#   1159:15  Preassigned    3.67, 4.37 A)
 &rst
  ixpk= 1159, nxpk= 15, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 179, 180,
 &end
#
#   12 TRP  HB3          14 VAL  HN          7.00    (#   1161:15  Preassigned    6.66, 6.85 A)
 &rst
  ixpk= 1161, nxpk= 15, iat= 153, 194, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   55 GLU  HA           14 VAL  HN          5.50    (#   1162:15  Preassigned    3.94, 4.10 A)
 &rst
  ixpk= 1162, nxpk= 15, iat= 883, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HA           14 VAL  HN          5.50    (#   1167:15  Preassigned    4.56, 4.60 A)
 &rst
  ixpk= 1167, nxpk= 15, iat= 212, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HN           14 VAL  HN          5.50    (#   1168:15  Preassigned    5.37, 5.42 A)
 &rst
  ixpk= 1168, nxpk= 15, iat= 227, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HE1          14 VAL  HN          5.50    (#   1169:15  Preassigned    4.32, 4.48 A)
 &rst
  ixpk= 1169, nxpk= 15, iat= 220, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 LYS  HN           13 VAL  HN          5.50    (#   1170:15  Preassigned    4.35, 4.36 A)
 &rst
  ixpk= 1170, nxpk= 15, iat= 172, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HN           14 VAL  HN          5.50    (#   1171:15  Preassigned    4.20, 4.22 A)
 &rst
  ixpk= 1171, nxpk= 15, iat= 210, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HN           14 VAL  HN          5.50    (#   1172:15  Preassigned    4.39, 4.54 A)
 &rst
  ixpk= 1172, nxpk= 15, iat= 881, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HE1          15 HID  HN          7.00    (#   1173:15  Preassigned    5.99, 6.04 A)
 &rst
  ixpk= 1173, nxpk= 15, iat= 220, 210, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   55 GLU  HN           15 HID  HN          7.00    (#   1174:15  Preassigned    7.03, 7.06 A)
 &rst
  ixpk= 1174, nxpk= 15, iat= 881, 210, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   17 LYS  HN           15 HID  HN          7.00    (#   1175:15  Unique         6.47, 6.52 A)
 &rst
  ixpk= 1175, nxpk= 15, iat= 243, 210, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   30 ILE  HN           15 HID  HN          5.50    (#   1176:15  Preassigned    5.50, 5.53 A)
 &rst
  ixpk= 1176, nxpk= 15, iat= 432, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LEU  HB3           5 ILE  HN          5.50    (#   1178:15  Preassigned    4.04, 4.26 A)
 &rst
  ixpk= 1178, nxpk= 15, iat=1020,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HB2           5 ILE  HN          7.00    (#   1179:15  Preassigned    6.96, 7.03 A)
 &rst
  ixpk= 1179, nxpk= 15, iat= 819,  45, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   63 ASP  HB3           5 ILE  HN          5.50    (#   1180:15  Preassigned    3.85, 3.92 A)
 &rst
  ixpk= 1180, nxpk= 15, iat= 992,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 GLU  HA            5 ILE  HN          7.00    (#   1181:15  Preassigned    5.39, 5.50 A)
 &rst
  ixpk= 1181, nxpk= 15, iat= 967,  45, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    6 GLN  HA            5 ILE  HN          5.50    (#   1182:15  Preassigned    5.40, 5.45 A)
 &rst
  ixpk= 1182, nxpk= 15, iat=  66,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1183     5 ILE  HN          7.00    (#   1183:15  Single Ambig)
 &rst
  ixpk= 1183, nxpk= 15, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 989,  20,
 &end
#
#    6 GLN  HN            5 ILE  HN          5.50    (#   1184:15  Preassigned    4.57, 4.60 A)
 &rst
  ixpk= 1184, nxpk= 15, iat=  64,  45, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HG-          43 ASP  HN          5.50    (#   1187:15  Preassigned    3.95, 5.32 A)
 &rst
  ixpk= 1187, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 692, 693,
 &end
#
#   66 LEU  HB+          43 ASP  HN          7.00    (#   1188:15  Preassigned    5.86, 6.51 A)
 &rst
  ixpk= 1188, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1038,1039,
 &end
#
#   24 LYS  HA           43 ASP  HN          5.50    (#   1189:15  Preassigned    4.91, 5.10 A)
 &rst
  ixpk= 1189, nxpk= 15, iat= 347, 673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HN           43 ASP  HN          7.00    (#   1192:15  Preassigned    7.04, 7.06 A)
 &rst
  ixpk= 1192, nxpk= 15, iat= 406, 673, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   59 PHE  HE           58 VAL  HN          5.50    (#   1194:15  Preassigned    4.30, 4.69 A)
 &rst
  ixpk= 1194, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 925, 929,
 &end
#
#   41 VAL  HB           23 GLU  HN          7.00    (#   1195:15  Preassigned    6.67, 6.99 A)
 &rst
  ixpk= 1195, nxpk= 15, iat= 651, 330, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:1196     0 AMB  15-1:1196   4.50    (#   1196:15  Double Ambig)
 &rst
  ixpk= 1196, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 133, 866, 867, 844, 845, 844, 845,
 igr2= 935, 915,
 &end
#
#   53 LYS  HB3           0 AMB  15-1:1197   5.50    (#   1197:15  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 15, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 915, 935,
 &end
#
#   60 ASN  HB+          63 ASP  HN          5.50    (#   1198:15  Preassigned    4.05, 4.55 A)
 &rst
  ixpk= 1198, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 955, 956,
 &end
#
#   54 LYS  QE           57 ASP  HN          5.50    (#   1199:15  Preassigned    4.59, 5.65 A)
 &rst
  ixpk= 1199, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 872, 873,
 &end
#
#   58 PHE  HB2          57 ASP  HN          7.00    (#   1200:15  Unique         6.63, 6.76 A)
 &rst
  ixpk= 1200, nxpk= 15, iat= 919, 903, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    9 GLY  HA-          59 VAL  HN          5.50    (#   1201:15  Preassigned    4.79, 4.87 A)
 &rst
  ixpk= 1201, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 110, 111,
 &end
#
#   54 LYS  HN           57 ASP  HN          4.50    (#   1202:15  Preassigned    3.47, 3.56 A)
 &rst
  ixpk= 1202, nxpk= 15, iat= 859, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HN           57 ASP  HN          4.50    (#   1203:15  Preassigned    3.49, 3.63 A)
 &rst
  ixpk= 1203, nxpk= 15, iat= 129, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLU  HB2          63 ASP  HN          7.00    (#   1205:15  Preassigned    5.66, 5.68 A)
 &rst
  ixpk= 1205, nxpk= 15, iat= 969, 987, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    5 ILE  HG1+         63 ASP  HN          5.50    (#   1206:15  Preassigned    4.32, 5.03 A)
 &rst
  ixpk= 1206, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#    5 ILE  HG1-         63 ASP  HN          5.50    (#   1208:15  Preassigned    4.32, 5.03 A)
 &rst
  ixpk= 1208, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  55,  56,
 &end
#
#    6 GLN  HB3          63 ASP  HN          7.00    (#   1210:15  Preassigned    6.95, 7.01 A)
 &rst
  ixpk= 1210, nxpk= 15, iat=  69, 987, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   61 GLU  HG+          63 ASP  HN          5.50    (#   1211:15  Preassigned    5.22, 5.55 A)
 &rst
  ixpk= 1211, nxpk= 15, iat=  -1, 987, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 972, 973,
 &end
#
#   40 ILE  HG1-         29 ALA  HN          5.50    (#   1214:15  Preassigned    4.50, 4.90 A)
 &rst
  ixpk= 1214, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 638, 639,
 &end
#
#   14 VAL  QG1          29 ALA  HN          5.50    (#   1215:15  Preassigned    5.68, 6.82 A)
 &rst
  ixpk= 1215, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 200, 201, 202,
 &end
#
#    0 AMB  15-3:1217    29 ALA  HN          7.00    (#   1217:15  Single Ambig)
 &rst
  ixpk= 1217, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 621, 622, 651,
 &end
#
#   24 GLU  HB2          23 LYS  HN          4.50    (#   1218:15  Preassigned    4.18, 4.28 A)
 &rst
  ixpk= 1218, nxpk= 15, iat= 334, 345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 GLU  HG+          23 LYS  HN          5.50    (#   1220:15  Preassigned    2.63, 3.03 A)
 &rst
  ixpk= 1220, nxpk= 15, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 337, 338,
 &end
#
#   39 PRO  HB+          29 ALA  HN          7.00    (#   1221:15  Preassigned    5.39, 5.97 A)
 &rst
  ixpk= 1221, nxpk= 15, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 621, 622,
 &end
#
#   29 VAL  HB           28 ALA  HN          4.50    (#   1222:15  Preassigned    4.05, 4.08 A)
 &rst
  ixpk= 1222, nxpk= 15, iat= 410, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 HID  HB2          29 ALA  HN          5.50    (#   1223:15  Preassigned    4.37, 4.48 A)
 &rst
  ixpk= 1223, nxpk= 15, iat= 214, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HA           29 ALA  HN          5.50    (#   1227:15  Preassigned    4.76, 4.80 A)
 &rst
  ixpk= 1227, nxpk= 15, iat= 630, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HA           29 ALA  HN          5.50    (#   1228:15  Preassigned    4.63, 4.65 A)
 &rst
  ixpk= 1228, nxpk= 15, iat= 434, 422, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HN           29 ALA  HN          7.00    (#   1230:15  Unique         6.62, 6.65 A)
 &rst
  ixpk= 1230, nxpk= 15, iat= 227, 422, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   13 LYS  HN           29 ALA  HN          7.00    (#   1236:15  Preassigned    6.91, 6.93 A)
 &rst
  ixpk= 1236, nxpk= 15, iat= 172, 422, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   29 VAL  HN           28 ALA  HN          2.80    (#   1238:15  Preassigned    1.89, 1.95 A)
 &rst
  ixpk= 1238, nxpk= 15, iat= 406, 422, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   68 LEU  QD2          22 ILE  HN          5.50    (#   1239:15  Preassigned    4.99, 6.15 A)
 &rst
  ixpk= 1239, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1081,1082,1083,
 &end
#
#    0 AMB  15-3:1240    22 ILE  HN          4.50    (#   1240:15  Single Ambig)
 &rst
  ixpk= 1240, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 324, 325, 326,1077,1078,1079,
 &end
#
#    0 AMB  15-3:1241    22 ILE  HN          5.50    (#   1241:15  Single Ambig)
 &rst
  ixpk= 1241, nxpk= 15, iat=  -1, 311, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 722, 723, 714,
 &end
#
#   47 ILE  HG1+         20 ASP  HN          7.00    (#   1245:15  Unique         5.37, 7.36 A)
 &rst
  ixpk= 1245, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 737, 738,
 &end
#
#    5 ILE  HG1-         64 VAL  HN          7.00    (#   1247:15  Preassigned    4.73, 5.59 A)
 &rst
  ixpk= 1247, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  55,  56,
 &end
#
#   52 LYS  HB2          64 VAL  HN          5.50    (#   1248:15  Preassigned    5.13, 5.25 A)
 &rst
  ixpk= 1248, nxpk= 15, iat= 819, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LYS  HG+          20 ASP  HN          5.50    (#   1249:15  Preassigned    3.27, 5.41 A)
 &rst
  ixpk= 1249, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 250, 251,
 &end
#
#    0 AMB  15-3:1250    20 ASP  HN          7.00    (#   1250:15  Single Ambig)
 &rst
  ixpk= 1250, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 253, 254, 731,
 &end
#
#   17 LYS  QB           20 ASP  HN          5.50    (#   1251:15  Preassigned    3.72, 4.78 A)
 &rst
  ixpk= 1251, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 247, 248,
 &end
#
#   21 GLN  QB           20 ASP  HN          7.00    (#   1252:15  Preassigned    6.11, 6.71 A)
 &rst
  ixpk= 1252, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 298, 299,
 &end
#
#   51 VAL  HB           18 ALA  HN          5.50    (#   1253:15  Preassigned    4.58, 4.85 A)
 &rst
  ixpk= 1253, nxpk= 15, iat= 803, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1254    18 ALA  HN          5.50    (#   1254:15  Single Ambig)
 &rst
  ixpk= 1254, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 750, 231,
 &end
#
#   18 LYS  QE           17 ALA  HN          5.50    (#   1255:15  Preassigned    4.15, 5.49 A)
 &rst
  ixpk= 1255, nxpk= 15, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 256, 257,
 &end
#
#   17 LYS  QE           20 ASP  HN          5.50    (#   1256:15  Preassigned    4.60, 5.84 A)
 &rst
  ixpk= 1256, nxpk= 15, iat=  -1, 282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 256, 257,
 &end
#
#   51 VAL  HN           18 ALA  HN          5.50    (#   1263:15  Preassigned    4.28, 4.65 A)
 &rst
  ixpk= 1263, nxpk= 15, iat= 799, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1265    33 SER  HN          5.50    (#   1265:15  Single Ambig)
 &rst
  ixpk= 1265, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466, 458,
 &end
#
#   30 ILE  QG2          33 SER  HN          7.00    (#   1266:15  Preassigned    6.39, 7.32 A)
 &rst
  ixpk= 1266, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 438, 439, 440,
 &end
#
#   31 LEU  HB3          33 SER  HN          5.50    (#   1267:15  Preassigned    4.08, 4.23 A)
 &rst
  ixpk= 1267, nxpk= 15, iat= 456, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1268    33 SER  HN          7.00    (#   1268:15  Single Ambig)
 &rst
  ixpk= 1268, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 584, 585, 599,
 &end
#
#    0 AMB  15-3:1269    33 SER  HN          5.50    (#   1269:15  Single Ambig)
 &rst
  ixpk= 1269, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 545, 570, 571, 559, 503, 504,
 &end
#
#    0 AMB  15-3:1270    33 SER  HN          5.50    (#   1270:15  Single Ambig)
 &rst
  ixpk= 1270, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 110, 111, 498,
 &end
#
#   38 ILE  HN           33 SER  HN          5.50    (#   1271:15  Preassigned    4.70, 4.97 A)
 &rst
  ixpk= 1271, nxpk= 15, iat= 595, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 MET  HN           33 SER  HN          5.50    (#   1272:15  Preassigned    3.36, 3.41 A)
 &rst
  ixpk= 1272, nxpk= 15, iat= 496, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  H63          37 GLU  HN          5.50    (#   1273:15  Preassigned    4.14, 5.11 A)
 &rst
  ixpk= 1273, nxpk= 15, iat= 549, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1274    37 GLU  HN          7.00    (#   1274:15  Single Ambig)
 &rst
  ixpk= 1274, nxpk= 15, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 559, 545,
 &end
#
#   39 PRO  HD+          37 GLU  HN          7.00    (#   1276:15  Preassigned    6.38, 6.79 A)
 &rst
  ixpk= 1276, nxpk= 15, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 615, 616,
 &end
#
#   37 MET  HN           36 GLU  HN          5.50    (#   1277:15  Preassigned    4.41, 4.49 A)
 &rst
  ixpk= 1277, nxpk= 15, iat= 563, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  HN           37 GLU  HN          5.50    (#   1279:15  Preassigned    4.29, 4.41 A)
 &rst
  ixpk= 1279, nxpk= 15, iat= 595, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HG+          67 GLU  HN          5.50    (#   1280:15  Preassigned    2.86, 4.20 A)
 &rst
  ixpk= 1280, nxpk= 15, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#    0 AMB  15-3:1282     0 AMB  15-1:1282   5.50    (#   1282:15  Double Ambig)
 &rst
  ixpk= 1282, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1075,1022,
 igr2=1053, 727,
 &end
#
#    0 AMB  15-3:1283    67 GLU  HN          5.50    (#   1283:15  Single Ambig)
 &rst
  ixpk= 1283, nxpk= 15, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 788, 791, 792,
 &end
#
#    0 AMB  15-3:1284     0 AMB  15-1:1284   5.50    (#   1284:15  Double Ambig)
 &rst
  ixpk= 1284, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1060,1061, 301, 302,
 igr2=1053, 727,
 &end
#
#   48 VAL  HA            0 AMB  15-1:1286   5.50    (#   1286:15  Single Ambig)
 &rst
  ixpk= 1286, nxpk= 15, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1053, 727,
 &end
#
#   49 LYS  HN           67 GLU  HN          5.50    (#   1289:15  Preassigned    3.76, 4.02 A)
 &rst
  ixpk= 1289, nxpk= 15, iat= 762,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1290     0 AMB  15-1:1290   5.50    (#   1290:15  Double Ambig)
 &rst
  ixpk= 1290, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 756, 757, 758,  28,  29,  30,
 igr2=1053, 727,
 &end
#
#   67 LEU  HN           66 GLU  HN          5.50    (#   1291:15  Preassigned    4.35, 4.41 A)
 &rst
  ixpk= 1291, nxpk= 15, iat=1034,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HA           67 GLU  HN          5.50    (#   1293:15  Unique         4.78, 4.90 A)
 &rst
  ixpk= 1293, nxpk= 15, iat= 786,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1294     8 ALA  HN          5.50    (#   1294:15  Single Ambig)
 &rst
  ixpk= 1294, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 460, 461, 462, 464, 465, 466, 460, 461, 462, 464,
       465, 466,
 &end
#
#    5 ILE  QG2           8 ALA  HN          5.50    (#   1295:15  Preassigned    5.36, 5.98 A)
 &rst
  ixpk= 1295, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#   31 LEU  HB3           8 ALA  HN          7.00    (#   1297:15  Preassigned    6.81, 6.98 A)
 &rst
  ixpk= 1297, nxpk= 15, iat= 456,  98, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    8 MET  QE            7 ALA  HN          5.50    (#   1298:15  Preassigned    2.84, 3.79 A)
 &rst
  ixpk= 1298, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  92,  93,  94,
 &end
#
#   61 GLU  HG+           8 ALA  HN          5.50    (#   1299:15  Preassigned    5.70, 6.32 A)
 &rst
  ixpk= 1299, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 972, 973,
 &end
#
#   61 GLU  HA            8 ALA  HN          5.50    (#   1300:15  Preassigned    5.05, 5.17 A)
 &rst
  ixpk= 1300, nxpk= 15, iat= 967,  98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HA            8 ALA  HN          7.00    (#   1302:15  Preassigned    6.60, 6.65 A)
 &rst
  ixpk= 1302, nxpk= 15, iat=  66,  98, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:1303     8 ALA  HN          5.50    (#   1303:15  Single Ambig)
 &rst
  ixpk= 1303, nxpk= 15, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 953, 487,
 &end
#
#   11 LEU  QD-          55 GLU  HN          5.50    (#   1305:15  Preassigned    4.46, 6.87 A)
 &rst
  ixpk= 1305, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   13 LYS  HG-          55 GLU  HN          7.00    (#   1306:15  Unique         6.57, 7.25 A)
 &rst
  ixpk= 1306, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 179, 180,
 &end
#
#   14 VAL  QG1          55 GLU  HN          5.50    (#   1307:15  Preassigned    4.31, 5.11 A)
 &rst
  ixpk= 1307, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 200, 201, 202,
 &end
#
#   14 VAL  HB           55 GLU  HN          5.50    (#   1309:15  Preassigned    3.00, 3.09 A)
 &rst
  ixpk= 1309, nxpk= 15, iat= 198, 881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 VAL  HN           55 GLU  HN          5.50    (#   1314:15  Preassigned    4.39, 4.54 A)
 &rst
  ixpk= 1314, nxpk= 15, iat= 194, 881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 ILE  HG1-         28 VAL  HN          5.50    (#   1315:15  Unique         5.67, 5.93 A)
 &rst
  ixpk= 1315, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 442, 443,
 &end
#
#   40 ILE  HB           28 VAL  HN          5.50    (#   1316:15  Preassigned    3.96, 4.05 A)
 &rst
  ixpk= 1316, nxpk= 15, iat= 632, 406, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1317    28 VAL  HN          5.50    (#   1317:15  Single Ambig)
 &rst
  ixpk= 1317, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 426, 427, 428, 442, 443,
 &end
#
#    0 AMB  15-3:1318    28 VAL  HN          5.50    (#   1318:15  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 395, 381, 382,
 &end
#
#   28 VAL  HB           28 VAL  HN          5.50    (#   1319:15  Preassigned    3.68, 3.75 A)
 &rst
  ixpk= 1319, nxpk= 15, iat= 410, 406, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 GLU  HG+          27 VAL  HN          5.50    (#   1320:15  Preassigned    3.13, 3.28 A)
 &rst
  ixpk= 1320, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 398, 399,
 &end
#
#   30 ILE  HA           28 VAL  HN          7.00    (#   1321:15  Preassigned    6.13, 6.20 A)
 &rst
  ixpk= 1321, nxpk= 15, iat= 434, 406, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   15 HID  HD2          28 VAL  HN          7.00    (#   1322:15  Preassigned    4.33, 4.46 A)
 &rst
  ixpk= 1322, nxpk= 15, iat= 223, 406, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   43 ASP  HN           28 VAL  HN          7.00    (#   1324:15  Preassigned    7.04, 7.06 A)
 &rst
  ixpk= 1324, nxpk= 15, iat= 673, 406, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    5 ILE  QG2          61 GLU  HN          5.50    (#   1326:15  Preassigned    4.25, 5.28 A)
 &rst
  ixpk= 1326, nxpk= 15, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  15-3:1327    55 GLU  HN          5.50    (#   1327:15  Single Ambig)
 &rst
  ixpk= 1327, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 869, 870, 134,
 &end
#
#   61 GLU  HB2          61 GLU  HN          2.80    (#   1328:15  Preassigned    2.35, 2.43 A)
 &rst
  ixpk= 1328, nxpk= 15, iat= 969, 965, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 GLU  HG+          61 GLU  HN          4.50    (#   1330:15  Preassigned    4.34, 4.44 A)
 &rst
  ixpk= 1330, nxpk= 15, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 972, 973,
 &end
#
#    8 ALA  HA           60 ASN  HN          5.50    (#   1334:15  Preassigned    4.68, 4.71 A)
 &rst
  ixpk= 1334, nxpk= 15, iat= 100, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HD22          0 AMB  15-1:1337   5.50    (#   1337:15  Single Ambig)
 &rst
  ixpk= 1337, nxpk= 15, iat= 961,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 951, 965,
 &end
#
#    9 GLY  HN           61 GLU  HN          5.50    (#   1338:15  Preassigned    5.18, 5.26 A)
 &rst
  ixpk= 1338, nxpk= 15, iat= 108, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HN           55 GLU  HN          7.00    (#   1339:15  Preassigned    7.03, 7.06 A)
 &rst
  ixpk= 1339, nxpk= 15, iat= 210, 881, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-3:1340    61 GLU  HN          5.50    (#   1340:15  Single Ambig)
 &rst
  ixpk= 1340, nxpk= 15, iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 960, 987,
 &end
#
#    5 ILE  QG2          60 ASN  HN          5.50    (#   1341:15  Preassigned    2.85, 4.09 A)
 &rst
  ixpk= 1341, nxpk= 15, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  51,  52,  53,
 &end
#
#    0 AMB  15-3:1342    60 ASN  HN          7.00    (#   1342:15  Single Ambig)
 &rst
  ixpk= 1342, nxpk= 15, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 844, 845, 133,
 &end
#
#   63 ASP  HB2          60 ASN  HN          5.50    (#   1343:15  Preassigned    2.19, 2.34 A)
 &rst
  ixpk= 1343, nxpk= 15, iat= 991, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   53 LYS  QE           60 ASN  HN          5.50    (#   1346:15  Preassigned    4.39, 5.28 A)
 &rst
  ixpk= 1346, nxpk= 15, iat=  -1, 951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#   11 LEU  QD+          54 LYS  HN          5.50    (#   1347:15  Preassigned    2.70, 5.40 A)
 &rst
  ixpk= 1347, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   14 VAL  QG2          54 LYS  HN          5.50    (#   1348:15  Preassigned    3.70, 4.67 A)
 &rst
  ixpk= 1348, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 204, 205, 206,
 &end
#
#    0 AMB  15-3:1350    54 LYS  HN          5.50    (#   1350:15  Single Ambig)
 &rst
  ixpk= 1350, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 844, 845, 200, 201, 202, 805, 806, 807,
 &end
#
#    0 AMB  15-3:1351    17 LYS  HN          5.50    (#   1351:15  Single Ambig)
 &rst
  ixpk= 1351, nxpk= 15, iat=  -1, 243, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 805, 806, 807, 200, 201, 202,
 &end
#
#   55 GLU  HG-          54 LYS  HN          7.00    (#   1352:15  Preassigned    6.30, 7.21 A)
 &rst
  ixpk= 1352, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 888, 889,
 &end
#
#   17 VAL  HN           16 LYS  HN          5.50    (#   1359:15  Preassigned    4.39, 4.43 A)
 &rst
  ixpk= 1359, nxpk= 15, iat= 227, 243, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HN           17 LYS  HN          7.00    (#   1360:15  Preassigned    6.47, 6.52 A)
 &rst
  ixpk= 1360, nxpk= 15, iat= 210, 243, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   57 ASP  HN           54 LYS  HN          5.50    (#   1363:15  Preassigned    3.47, 3.56 A)
 &rst
  ixpk= 1363, nxpk= 15, iat= 903, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 ILE  QD1          36 MET  HN          5.50    (#   1364:15  Preassigned    4.91, 6.69 A)
 &rst
  ixpk= 1364, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 608, 609, 610,
 &end
#
#    0 AMB  15-3:1365    36 MET  HN          5.50    (#   1365:15  Single Ambig)
 &rst
  ixpk= 1365, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 520, 521, 605, 606, 540,
 &end
#
#    0 AMB  15-3:1366    36 MET  HN          7.00    (#   1366:15  Single Ambig)
 &rst
  ixpk= 1366, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 523, 524, 605, 606, 474,
 &end
#
#    0 AMB  15-3:1367     7 MET  HN          5.50    (#   1367:15  Single Ambig)
 &rst
  ixpk= 1367, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  55,  56, 638, 639,
 &end
#
#   38 ILE  QD1           7 MET  HN          7.00    (#   1370:15  Unique         5.24, 6.34 A)
 &rst
  ixpk= 1370, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 608, 609, 610,
 &end
#
#    0 AMB  15-3:1371    36 MET  HN          7.00    (#   1371:15  Single Ambig)
 &rst
  ixpk= 1371, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 549, 475,
 &end
#
#   61 GLU  HG+           7 MET  HN          5.50    (#   1372:15  Preassigned    4.26, 5.08 A)
 &rst
  ixpk= 1372, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 972, 973,
 &end
#
#    7 GLN  HG+           6 MET  HN          5.50    (#   1373:15  Preassigned    3.44, 4.15 A)
 &rst
  ixpk= 1373, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  72,
 &end
#
#    7 GLN  HG-           6 MET  HN          5.50    (#   1374:15  Preassigned    3.44, 4.15 A)
 &rst
  ixpk= 1374, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  72,
 &end
#
#   36 MET  HG-          36 MET  HN          5.50    (#   1375:15  Preassigned    2.49, 3.23 A)
 &rst
  ixpk= 1375, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 570, 571,
 &end
#
#    0 AMB  15-3:1376    36 MET  HN          5.50    (#   1376:15  Single Ambig)
 &rst
  ixpk= 1376, nxpk= 15, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 498, 110, 111,
 &end
#
#   33 SER  HB2          36 MET  HN          5.50    (#   1377:15  Preassigned    3.52, 3.61 A)
 &rst
  ixpk= 1377, nxpk= 15, iat= 489, 563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ALA  HA            7 MET  HN          5.50    (#   1379:15  Preassigned    4.79, 4.88 A)
 &rst
  ixpk= 1379, nxpk= 15, iat= 100,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HA           36 MET  HN          5.50    (#   1380:15  Preassigned    4.35, 4.39 A)
 &rst
  ixpk= 1380, nxpk= 15, iat= 487, 563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HA           36 MET  HN          5.50    (#   1381:15  Preassigned    4.14, 4.31 A)
 &rst
  ixpk= 1381, nxpk= 15, iat= 472, 563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 GLN  HE22          6 MET  HN          5.50    (#   1383:15  Preassigned    5.52, 5.56 A)
 &rst
  ixpk= 1383, nxpk= 15, iat=  77,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HE3          36 MET  HN          7.00    (#   1385:15  Preassigned    7.03, 7.06 A)
 &rst
  ixpk= 1385, nxpk= 15, iat= 167, 563, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   14 VAL  QG2          30 ILE  HN          4.50    (#   1386:15  Preassigned    4.06, 4.88 A)
 &rst
  ixpk= 1386, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 204, 205, 206,
 &end
#
#    0 AMB  15-3:1387    30 ILE  HN          5.50    (#   1387:15  Single Ambig)
 &rst
  ixpk= 1387, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 138, 139, 140, 142, 143, 144, 460, 461, 462, 464,
       465, 466, 460, 461, 462, 464, 465, 466,
 &end
#
#    0 AMB  15-3:1388    30 ILE  HN          7.00    (#   1388:15  Single Ambig)
 &rst
  ixpk= 1388, nxpk= 15, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 220, 167,
 &end
#
#   15 HID  HN           30 ILE  HN          5.50    (#   1389:15  Preassigned    5.50, 5.53 A)
 &rst
  ixpk= 1389, nxpk= 15, iat= 210, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 VAL  HN           14 VAL  HN          5.50    (#   1392:15  Preassigned    5.37, 5.42 A)
 &rst
  ixpk= 1392, nxpk= 15, iat= 227, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1393    12 TRP  HN          5.50    (#   1393:15  Single Ambig)
 &rst
  ixpk= 1393, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 117, 472,
 &end
#
#   68 GLU  HB3          67 LEU  HN          5.50    (#   1394:15  Preassigned    3.87, 4.02 A)
 &rst
  ixpk= 1394, nxpk= 15, iat=1058,1068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  QG2          26 GLN  HN          5.50    (#   1395:15  Preassigned    5.99, 6.88 A)
 &rst
  ixpk= 1395, nxpk= 15, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 416, 417, 418,
 &end
#
#    3 VAL  QG2          66 LEU  HN          4.50    (#   1396:15  Preassigned    4.29, 5.16 A)
 &rst
  ixpk= 1396, nxpk= 15, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  28,  29,  30,
 &end
#
#   62 GLU  HB2          61 GLY  HN          5.50    (#   1397:15  Preassigned    4.39, 4.44 A)
 &rst
  ixpk= 1397, nxpk= 15, iat= 969, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ASP  HB3          62 GLY  HN          5.50    (#   1398:15  Preassigned    4.85, 4.95 A)
 &rst
  ixpk= 1398, nxpk= 15, iat= 992, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 LYS  HB2          24 GLY  HN          5.50    (#   1399:15  Preassigned    4.27, 4.32 A)
 &rst
  ixpk= 1399, nxpk= 15, iat= 349, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLN  HA           62 GLY  HN          4.50    (#   1400:15  Preassigned    2.82, 2.91 A)
 &rst
  ixpk= 1400, nxpk= 15, iat=  66, 980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 MET  HN           62 GLY  HN          5.50    (#   1401:15  Preassigned    4.38, 4.47 A)
 &rst
  ixpk= 1401, nxpk= 15, iat=  81, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ARG  HN           25 GLY  HN          5.50    (#   1402:15  Preassigned    4.27, 4.68 A)
 &rst
  ixpk= 1402, nxpk= 15, iat= 685, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HA           66 LEU  HN          5.50    (#   1403:15  Preassigned    4.71, 4.85 A)
 &rst
  ixpk= 1403, nxpk= 15, iat=1055,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1404    12 TRP  HN          5.50    (#   1404:15  Single Ambig)
 &rst
  ixpk= 1404, nxpk= 15, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 205, 206, 941, 942, 943,
 &end
#
#   24 LYS  HA           42 ALA  HN          5.50    (#   1408:15  Preassigned    4.58, 4.72 A)
 &rst
  ixpk= 1408, nxpk= 15, iat= 347, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  HB           26 GLN  HN          5.50    (#   1419:15  Preassigned    3.51, 3.60 A)
 &rst
  ixpk= 1419, nxpk= 15, iat= 651, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 GLU  HB3          26 GLN  HN          4.50    (#   1420:15  Preassigned    3.99, 4.21 A)
 &rst
  ixpk= 1420, nxpk= 15, iat= 335, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 VAL  HA           26 GLN  HN          5.50    (#   1421:15  Preassigned    4.75, 4.88 A)
 &rst
  ixpk= 1421, nxpk= 15, iat= 649, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HN           26 GLN  HN          7.00    (#   1424:15  Preassigned    6.12, 6.37 A)
 &rst
  ixpk= 1424, nxpk= 15, iat= 406, 374, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   24 LYS  QG           43 ASP  HN          7.00    (#   1426:15  Preassigned    4.74, 6.01 A)
 &rst
  ixpk= 1426, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 352, 353,
 &end
#
#    0 AMB  15-3:1428    43 ASP  HN          5.50    (#   1428:15  Single Ambig)
 &rst
  ixpk= 1428, nxpk= 15, iat=  -1, 673, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 324, 325, 326, 412, 413, 414, 634, 635, 636,
 &end
#
#   55 GLU  HG-          57 ASP  HN          7.00    (#   1430:15  Preassigned    5.56, 6.50 A)
 &rst
  ixpk= 1430, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 888, 889,
 &end
#
#   14 VAL  HB           57 ASP  HN          7.00    (#   1431:15  Preassigned    6.80, 6.93 A)
 &rst
  ixpk= 1431, nxpk= 15, iat= 198, 903, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   53 LYS  HD+          57 ASP  HN          5.50    (#   1433:15  Preassigned    5.18, 5.90 A)
 &rst
  ixpk= 1433, nxpk= 15, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 847, 848,
 &end
#
#    10 ASN  HA           57 ASP  HN          5.50    (#   1434:15  Preassigned    5.26, 5.34 A)
 &rst
  ixpk= 1434, nxpk= 15, iat= 117, 903, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 PHE  HD           58 VAL  HN          5.50    (#   1435:15  Preassigned    3.23, 3.75 A)
 &rst
  ixpk= 1435, nxpk= 15, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 923, 931,
 &end
#
#   58 PHE  HB2          58 PHE  HN          4.50    (#   1438:15  Preassigned    2.70, 2.76 A)
 &rst
  ixpk= 1438, nxpk= 15, iat= 919, 915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LYS  QE           64 VAL  HN          5.50    (#   1440:15  Preassigned    3.76, 4.00 A)
 &rst
  ixpk= 1440, nxpk= 15, iat=  -1, 999, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#    4 SER  HA           64 VAL  HN          5.50    (#   1441:15  Preassigned    4.90, 4.94 A)
 &rst
  ixpk= 1441, nxpk= 15, iat=  36, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 GLY  HN           46 ILE  HN          5.50    (#   1444:15  Preassigned    4.37, 4.39 A)
 &rst
  ixpk= 1444, nxpk= 15, iat= 720, 727, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 LYS  HG+          54 GLU  HN          5.50    (#   1448:15  Preassigned    3.45, 4.28 A)
 &rst
  ixpk= 1448, nxpk= 15, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 866, 867,
 &end
#
#   29 ALA  QB           28 VAL  HN          5.50    (#   1449:15  Preassigned    4.61, 5.23 A)
 &rst
  ixpk= 1449, nxpk= 15, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 426, 427, 428,
 &end
#
#   33 SER  HB3          36 MET  HN          5.50    (#   1452:15  Preassigned    4.10, 4.17 A)
 &rst
  ixpk= 1452, nxpk= 15, iat= 490, 563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HZ3          36 MET  HN          7.00    (#   1454:15  Preassigned    7.13, 7.36 A)
 &rst
  ixpk= 1454, nxpk= 15, iat= 165, 563, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   59 VAL  QG2           10 ASN  HN          5.50    (#   1456:15  Preassigned    3.63, 4.10 A)
 &rst
  ixpk= 1456, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 945, 946, 947,
 &end
#
#   31 LEU  HB3           10 ASN  HN          5.50    (#   1458:15  Preassigned    3.64, 3.81 A)
 &rst
  ixpk= 1458, nxpk= 15, iat= 456, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HB2           10 ASN  HN          5.50    (#   1459:15  Preassigned    5.51, 5.53 A)
 &rst
  ixpk= 1459, nxpk= 15, iat= 489, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 SER  HA            10 ASN  HN          5.50    (#   1460:15  Preassigned    3.33, 3.37 A)
 &rst
  ixpk= 1460, nxpk= 15, iat= 487, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HD22          10 ASN  HN          5.50    (#   1462:15  Preassigned    4.36, 4.43 A)
 &rst
  ixpk= 1462, nxpk= 15, iat= 125, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  HN            10 ASN  HN          5.50    (#   1463:15  Preassigned    4.21, 4.23 A)
 &rst
  ixpk= 1463, nxpk= 15, iat= 129, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ILE  QD1          69 SER  HN          7.00    (#   1464:15  Preassigned    6.00, 7.04 A)
 &rst
  ixpk= 1464, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 740, 741, 742,
 &end
#
#   48 VAL  QG2          69 SER  HN          5.50    (#   1465:15  Preassigned    6.05, 6.63 A)
 &rst
  ixpk= 1465, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#    0 AMB  15-3:1466    69 SER  HN          5.50    (#   1466:15  Single Ambig)
 &rst
  ixpk= 1466, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 737, 738, 321, 322,
 &end
#
#   49 LYS  HG-          69 SER  HN          5.50    (#   1468:15  Preassigned    4.37, 5.51 A)
 &rst
  ixpk= 1468, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 769, 770,
 &end
#
#   67 GLU  HG-          69 SER  HN          5.50    (#   1469:15  Preassigned    5.12, 6.22 A)
 &rst
  ixpk= 1469, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1060,1061,
 &end
#
#   46 GLY  HA+          69 SER  HN          5.50    (#   1470:15  Preassigned    4.05, 5.30 A)
 &rst
  ixpk= 1470, nxpk= 15, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 722, 723,
 &end
#
#   49 LYS  HA           69 SER  HN          5.50    (#   1471:15  Preassigned    3.84, 4.28 A)
 &rst
  ixpk= 1471, nxpk= 15, iat= 764,1087, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 GLU  HA           69 SER  HN          7.00    (#   1472:15  Preassigned    6.25, 6.35 A)
 &rst
  ixpk= 1472, nxpk= 15, iat=1055,1087, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   50 GLU  HN           69 SER  HN          7.00    (#   1476:15  Preassigned    5.16, 5.45 A)
 &rst
  ixpk= 1476, nxpk= 15, iat= 784,1087, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   71 SER  HN           69 SER  HN          5.50    (#   1477:15  Preassigned    4.00, 5.66 A)
 &rst
  ixpk= 1477, nxpk= 15, iat=1112,1087, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 VAL  QG2          44 ARG  HN          5.50    (#   1479:15  Preassigned    3.45, 4.20 A)
 &rst
  ixpk= 1479, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  28,  29,  30,
 &end
#
#   25 GLY  HA-          44 ARG  HN          7.00    (#   1480:15  Preassigned    6.45, 7.19 A)
 &rst
  ixpk= 1480, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 369, 370,
 &end
#
#   25 GLY  HA+          44 ARG  HN          7.00    (#   1481:15  Preassigned    6.45, 7.19 A)
 &rst
  ixpk= 1481, nxpk= 15, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 369, 370,
 &end
#
#   66 LEU  HA           53 LYS  HN          5.50    (#   1486:15  Preassigned    4.67, 5.09 A)
 &rst
  ixpk= 1486, nxpk= 15, iat=1036, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1490    53 LYS  HN          5.50    (#   1490:15  Single Ambig)
 &rst
  ixpk= 1490, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 791, 792,1003,
 &end
#
#   51 VAL  HB           53 LYS  HN          5.50    (#   1491:15  Preassigned    3.57, 3.80 A)
 &rst
  ixpk= 1491, nxpk= 15, iat= 803, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1493    53 LYS  HN          4.50    (#   1493:15  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 822, 823,1019,
 &end
#
#   11 LEU  QD-          53 LYS  HN          5.50    (#   1495:15  Preassigned    4.76, 6.50 A)
 &rst
  ixpk= 1495, nxpk= 15, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#   55 GLU  HN           53 LYS  HN          7.00    (#   1496:15  Preassigned    6.93, 7.09 A)
 &rst
  ixpk= 1496, nxpk= 15, iat= 881, 837, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    6 GLN  HN           62 GLY  HN          5.50    (#   1497:15  Preassigned    4.35, 4.45 A)
 &rst
  ixpk= 1497, nxpk= 15, iat=  64, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1501    25 GLY  HN          5.50    (#   1501:15  Single Ambig)
 &rst
  ixpk= 1501, nxpk= 15, iat=  -1, 367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 665, 376,
 &end
#
#    0 AMB  15-3:1503    62 GLY  HN          5.50    (#   1503:15  Single Ambig)
 &rst
  ixpk= 1503, nxpk= 15, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 991,  68,  71,  72,
 &end
#
#    6 GLN  HB3          62 GLY  HN          5.50    (#   1504:15  Preassigned    4.80, 4.91 A)
 &rst
  ixpk= 1504, nxpk= 15, iat=  69, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 VAL  HB           25 GLY  HN          5.50    (#   1505:15  Preassigned    3.25, 3.39 A)
 &rst
  ixpk= 1505, nxpk= 15, iat= 651, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HB+          60 ASN  HD21        5.50    (#   1509:15  Preassigned    3.63, 3.90 A)
 &rst
  ixpk= 1509, nxpk= 15, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 955, 956,
 &end
#
#    8 ALA  QB           60 ASN  HD21        5.50    (#   1510:15  Preassigned    2.34, 3.09 A)
 &rst
  ixpk= 1510, nxpk= 15, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 102, 103, 104,
 &end
#
#   60 ASN  HA           60 ASN  HD21        5.50    (#   1511:15  Preassigned    3.41, 3.44 A)
 &rst
  ixpk= 1511, nxpk= 15, iat= 953, 960, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1514    50 GLU  HN          5.50    (#   1514:15  Single Ambig)
 &rst
  ixpk= 1514, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 750, 231,
 &end
#
#    8 ALA  QB           60 ASN  HD22        5.50    (#   1515:15  Preassigned    3.44, 4.16 A)
 &rst
  ixpk= 1515, nxpk= 15, iat=  -1, 961, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 102, 103, 104,
 &end
#
#   60 VAL  HA           59 ASN  HD22        5.50    (#   1516:15  Preassigned    4.40, 4.53 A)
 &rst
  ixpk= 1516, nxpk= 15, iat= 937, 961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ALA  HA           60 ASN  HD22        5.50    (#   1517:15  Preassigned    2.66, 2.71 A)
 &rst
  ixpk= 1517, nxpk= 15, iat= 100, 961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ASN  HA           60 ASN  HD22        5.50    (#   1518:15  Preassigned    2.49, 2.55 A)
 &rst
  ixpk= 1518, nxpk= 15, iat= 953, 961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HD22         60 ASN  HD22        7.00    (#   1519:15  Preassigned    6.97, 7.03 A)
 &rst
  ixpk= 1519, nxpk= 15, iat= 125, 961, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   19 GLY  HN           50 GLU  HN          5.50    (#   1520:15  Preassigned    5.18, 5.33 A)
 &rst
  ixpk= 1520, nxpk= 15, iat= 275, 784, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 LYS  HN           50 GLU  HN          7.00    (#   1521:15  Unique         5.91, 6.11 A)
 &rst
  ixpk= 1521, nxpk= 15, iat= 815, 784, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   67 GLU  HA           50 GLU  HN          5.50    (#   1523:15  Preassigned    4.59, 4.72 A)
 &rst
  ixpk= 1523, nxpk= 15, iat=1055, 784, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1524    50 GLU  HN          7.00    (#   1524:15  Single Ambig)
 &rst
  ixpk= 1524, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 801, 817,
 &end
#
#   52 LYS  HG-          50 GLU  HN          5.50    (#   1526:15  Preassigned    5.10, 6.27 A)
 &rst
  ixpk= 1526, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 822, 823,
 &end
#
#   50 LYS  HG+          49 GLU  HN          4.50    (#   1527:15  Preassigned    3.59, 4.38 A)
 &rst
  ixpk= 1527, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 769, 770,
 &end
#
#   48 VAL  QG2          50 GLU  HN          5.50    (#   1529:15  Preassigned    5.20, 5.89 A)
 &rst
  ixpk= 1529, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 756, 757, 758,
 &end
#
#   68 LEU  QD2          50 GLU  HN          5.50    (#   1530:15  Preassigned    4.09, 5.19 A)
 &rst
  ixpk= 1530, nxpk= 15, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1081,1082,1083,
 &end
#
#   32 GLU  HB2           10 ASN  HD21        5.50    (#   1531:15  Preassigned    5.28, 5.31 A)
 &rst
  ixpk= 1531, nxpk= 15, iat= 474, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HB3           10 ASN  HD21        5.50    (#   1533:15  Preassigned    3.84, 3.85 A)
 &rst
  ixpk= 1533, nxpk= 15, iat= 475, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    10 ASN  HA            10 ASN  HD21        5.50    (#   1534:15  Preassigned    4.08, 4.11 A)
 &rst
  ixpk= 1534, nxpk= 15, iat= 117, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HN            10 ASN  HD21        5.50    (#   1536:15  Preassigned    4.68, 4.97 A)
 &rst
  ixpk= 1536, nxpk= 15, iat= 513, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLU  HB3           10 ASN  HD22        5.50    (#   1539:15  Preassigned    5.52, 5.54 A)
 &rst
  ixpk= 1539, nxpk= 15, iat= 475, 125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  QD-          56 GLY  HN          5.50    (#   1540:15  Preassigned    4.59, 5.92 A)
 &rst
  ixpk= 1540, nxpk= 15, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 138, 139, 140, 142, 143, 144,
 &end
#
#    0 AMB  15-3:1541    56 GLY  HN          5.50    (#   1541:15  Single Ambig)
 &rst
  ixpk= 1541, nxpk= 15, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 138, 139, 140, 142, 143, 144, 179, 180,
 &end
#
#   11 LEU  HG           56 GLY  HN          5.50    (#   1542:15  Preassigned    4.04, 4.26 A)
 &rst
  ixpk= 1542, nxpk= 15, iat= 136, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLU  HG+          55 GLY  HN          5.50    (#   1543:15  Unique         4.02, 4.84 A)
 &rst
  ixpk= 1543, nxpk= 15, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 888, 889,
 &end
#
#    10 ASN  HB3          56 GLY  HN          5.50    (#   1544:15  Preassigned    4.69, 4.94 A)
 &rst
  ixpk= 1544, nxpk= 15, iat= 120, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASP  HB3          56 GLY  HN          5.50    (#   1545:15  Preassigned    4.98, 5.09 A)
 &rst
  ixpk= 1545, nxpk= 15, iat= 908, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 TRP  HN           56 GLY  HN          5.50    (#   1549:15  Preassigned    3.84, 4.11 A)
 &rst
  ixpk= 1549, nxpk= 15, iat= 148, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HN           13 LYS  HN          7.00    (#   1553:15  Preassigned    6.58, 6.67 A)
 &rst
  ixpk= 1553, nxpk= 15, iat= 881, 172, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   13 TRP  HD1          12 LYS  HN          5.50    (#   1555:15  Preassigned    4.20, 4.25 A)
 &rst
  ixpk= 1555, nxpk= 15, iat= 156, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 HID  HD2          13 LYS  HN          7.00    (#   1556:15  Preassigned    5.57, 5.58 A)
 &rst
  ixpk= 1556, nxpk= 15, iat= 223, 172, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   29 ALA  HA           13 LYS  HN          5.50    (#   1557:15  Preassigned    4.57, 4.60 A)
 &rst
  ixpk= 1557, nxpk= 15, iat= 424, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1558    13 LYS  HN          5.50    (#   1558:15  Single Ambig)
 &rst
  ixpk= 1558, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 888, 889, 185, 186, 475,
 &end
#
#   55 GLU  HG-          13 LYS  HN          5.50    (#   1559:15  Preassigned    4.72, 5.26 A)
 &rst
  ixpk= 1559, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 888, 889,
 &end
#
#   55 GLU  QB           13 LYS  HN          5.50    (#   1560:15  Preassigned    3.89, 5.99 A)
 &rst
  ixpk= 1560, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 885, 886,
 &end
#
#   13 LYS  HD-          13 LYS  HN          5.50    (#   1561:15  Preassigned    4.14, 5.75 A)
 &rst
  ixpk= 1561, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 182, 183,
 &end
#
#   30 ILE  QG2          13 LYS  HN          5.50    (#   1562:15  Preassigned    3.89, 4.88 A)
 &rst
  ixpk= 1562, nxpk= 15, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 438, 439, 440,
 &end
#
#   70 ASN  HB+          70 ASN  HD22        5.50    (#   1566:15  Preassigned    2.23, 2.86 A)
 &rst
  ixpk= 1566, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1102,1103,
 &end
#
#   70 ASN  HB-          70 ASN  HD22        5.50    (#   1567:15  Preassigned    2.23, 2.86 A)
 &rst
  ixpk= 1567, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1102,1103,
 &end
#
#   73 THR  HA           72 GLN  HE22        7.00    (#   1576:15  Preassigned    4.14, 6.03 A)
 &rst
  ixpk= 1576, nxpk= 15, iat=1125,1150, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   24 LYS  QG           45 SER  HN          5.50    (#   1584:15  Preassigned    4.30, 5.22 A)
 &rst
  ixpk= 1584, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 352, 353,
 &end
#
#   45 ARG  QD           44 SER  HN          5.50    (#   1586:15  Preassigned    3.91, 5.69 A)
 &rst
  ixpk= 1586, nxpk= 15, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 695, 696,
 &end
#
#   24 LYS  HA           45 SER  HN          5.50    (#   1587:15  Preassigned    3.81, 4.14 A)
 &rst
  ixpk= 1587, nxpk= 15, iat= 347, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HB3          19 GLY  HN          5.50    (#   1590:15  Preassigned    4.89, 5.01 A)
 &rst
  ixpk= 1590, nxpk= 15, iat= 287, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 ASP  HB2          19 GLY  HN          5.50    (#   1591:15  Preassigned    5.15, 5.27 A)
 &rst
  ixpk= 1591, nxpk= 15, iat= 286, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HG+          19 GLY  HN          5.50    (#   1594:15  Preassigned    5.94, 6.22 A)
 &rst
  ixpk= 1594, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 769, 770,
 &end
#
#    0 AMB  15-3:1595    19 GLY  HN          7.00    (#   1595:15  Single Ambig)
 &rst
  ixpk= 1595, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 250, 251, 767, 737, 738,
 &end
#
#   17 LYS  QB           19 GLY  HN          5.50    (#   1596:15  Unique         5.78, 6.14 A)
 &rst
  ixpk= 1596, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 247, 248,
 &end
#
#   68 LEU  QD2          19 GLY  HN          7.00    (#   1597:15  Preassigned    6.70, 7.29 A)
 &rst
  ixpk= 1597, nxpk= 15, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1081,1082,1083,
 &end
#
#   68 LEU  QD2          66 LEU  HN          5.50    (#   1598:15  Preassigned    5.87, 6.75 A)
 &rst
  ixpk= 1598, nxpk= 15, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1081,1082,1083,
 &end
#
#    0 AMB  15-3:1599    66 LEU  HN          5.50    (#   1599:15  Single Ambig)
 &rst
  ixpk= 1599, nxpk= 15, iat=  -1,1034, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 805, 806, 807, 844, 845,
 &end
#
#    3 VAL  HA           66 LEU  HN          5.50    (#   1602:15  Preassigned    4.60, 4.72 A)
 &rst
  ixpk= 1602, nxpk= 15, iat=  20,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU  HN           66 LEU  HN          7.00    (#   1603:15  Preassigned    7.14, 7.28 A)
 &rst
  ixpk= 1603, nxpk= 15, iat= 784,1034, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   67 GLU  HN           66 LEU  HN          5.50    (#   1604:15  Preassigned    4.35, 4.41 A)
 &rst
  ixpk= 1604, nxpk= 15, iat=1053,1034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ILE  HA            6 GLN  HE21        5.50    (#   1605:15  Preassigned    2.59, 3.60 A)
 &rst
  ixpk= 1605, nxpk= 15, iat= 630,  76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1606    21 GLN  HE21        5.50    (#   1606:15  Single Ambig)
 &rst
  ixpk= 1606, nxpk= 15, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 722, 723, 714,
 &end
#
#    6 GLN  HB3           6 GLN  HE21        5.50    (#   1608:15  Unique         3.10, 3.90 A)
 &rst
  ixpk= 1608, nxpk= 15, iat=  69,  76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    7 MET  HB-           6 GLN  HE21        7.00    (#   1609:15  Preassigned    5.27, 6.30 A)
 &rst
  ixpk= 1609, nxpk= 15, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  85,  86,
 &end
#
#   47 ILE  QD1          21 GLN  HE21        5.50    (#   1610:15  Preassigned    3.25, 5.55 A)
 &rst
  ixpk= 1610, nxpk= 15, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 740, 741, 742,
 &end
#
#    3 VAL  QG1           6 GLN  HE22        5.50    (#   1611:15  Preassigned    5.60, 6.54 A)
 &rst
  ixpk= 1611, nxpk= 15, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  24,  25,  26,
 &end
#
#   43 ASP  HB2           6 GLN  HE22        7.00    (#   1612:15  Preassigned    5.76, 6.42 A)
 &rst
  ixpk= 1612, nxpk= 15, iat= 677,  77, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   35 BTL  H82          35 BTL  HN          5.50    (#   1613:15  Preassigned    3.47, 4.13 A)
 &rst
  ixpk= 1613, nxpk= 15, iat= 539, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 BTL  HD-          35 BTL  HN          5.50    (#   1614:15  Preassigned    2.70, 5.39 A)
 &rst
  ixpk= 1614, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 523, 524,
 &end
#
#   32 GLU  HB3          35 BTL  HN          5.50    (#   1615:15  Preassigned    4.72, 5.06 A)
 &rst
  ixpk= 1615, nxpk= 15, iat= 475, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 MET  HG+          34 BTL  HN          5.50    (#   1616:15  Preassigned    4.84, 5.44 A)
 &rst
  ixpk= 1616, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 503, 504,
 &end
#
#    0 AMB  15-3:1617    35 BTL  HN          7.00    (#   1617:15  Single Ambig)
 &rst
  ixpk= 1617, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 526, 527, 551, 119,
 &end
#
#   33 SER  HB3          35 BTL  HN          5.50    (#   1618:15  Preassigned    5.42, 5.48 A)
 &rst
  ixpk= 1618, nxpk= 15, iat= 490, 513, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 GLY  HA-          35 BTL  HN          7.00    (#   1619:15  Preassigned    5.76, 6.32 A)
 &rst
  ixpk= 1619, nxpk= 15, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 110, 111,
 &end
#
#   22 ILE  HA           26 GLN  HE21        5.50    (#   1621:15  Preassigned    3.42, 3.87 A)
 &rst
  ixpk= 1621, nxpk= 15, iat= 313, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 VAL  HA           26 GLN  HE21        5.50    (#   1622:15  Preassigned    3.50, 4.08 A)
 &rst
  ixpk= 1622, nxpk= 15, iat= 408, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLN  HB3          26 GLN  HE22        5.50    (#   1623:15  Preassigned    2.56, 3.22 A)
 &rst
  ixpk= 1623, nxpk= 15, iat= 379, 387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-3:1624    26 GLN  HE22        5.50    (#   1624:15  Single Ambig)
 &rst
  ixpk= 1624, nxpk= 15, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 378, 410,
 &end
#
#   22 ILE  HB           26 GLN  HE21        5.50    (#   1625:15  Preassigned    3.82, 4.09 A)
 &rst
  ixpk= 1625, nxpk= 15, iat= 315, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  HB           26 GLN  HE22        5.50    (#   1626:15  Preassigned    3.89, 4.43 A)
 &rst
  ixpk= 1626, nxpk= 15, iat= 315, 387, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ILE  QD1          26 GLN  HE22        5.50    (#   1627:15  Preassigned    5.73, 6.63 A)
 &rst
  ixpk= 1627, nxpk= 15, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 324, 325, 326,
 &end
#
#   68 LEU  QD2          46 GLY  HN          5.50    (#   1628:15  Preassigned    4.94, 6.14 A)
 &rst
  ixpk= 1628, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1081,1082,1083,
 &end
#
#   22 ILE  QG2          46 GLY  HN          5.50    (#   1629:15  Preassigned    5.23, 5.90 A)
 &rst
  ixpk= 1629, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 317, 318, 319,
 &end
#
#   48 VAL  QG2          46 GLY  HN          7.00    (#   1630:15  Preassigned    5.81, 6.73 A)
 &rst
  ixpk= 1630, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 756, 757, 758,
 &end
#
#    0 AMB  15-3:1631    46 GLY  HN          5.50    (#   1631:15  Single Ambig)
 &rst
  ixpk= 1631, nxpk= 15, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 737, 738, 692, 693, 349,
 &end
#
#   44 ARG  HA           46 GLY  HN          7.00    (#   1632:15  Preassigned    6.37, 6.45 A)
 &rst
  ixpk= 1632, nxpk= 15, iat= 687, 720, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   21 GLN  HE21         46 GLY  HN          5.50    (#   1633:15  Preassigned    2.58, 3.15 A)
 &rst
  ixpk= 1633, nxpk= 15, iat= 306, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 PHE  HA            9 GLY  HN          5.50    (#   1638:15  Preassigned    5.16, 5.22 A)
 &rst
  ixpk= 1638, nxpk= 15, iat= 917, 108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 29 ALA N 40 ILE O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 645, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
# 40 ILE N 29 ALA O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 430, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 31 LEU N 38 ILE O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 612, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 38 ILE N 31 LEU O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 468, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 33 SER N 36 MET O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 578, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 36 MET N 33 SER O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 494, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 66 LEU N 3 VAL O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1033,  32, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 22 ILE N 46 GLY O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 725, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 46 GLY N 22 ILE O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 719, 328, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 67 GLU- N 50 GLU- O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1052, 797, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 50 GLU- N 67 GLU- O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 783,1066, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 10 ASN N 32 GLU- O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 483, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 32 GLU- N 10 ASN O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 127, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 9 GLY N 59 VAL O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 949, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 59 VAL N 9 GLY O     3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 113, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 29 ALA HN 40 ILE O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 645, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 40 ILE HN 29 ALA O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 430, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 31 LEU HN 38 ILE O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 612, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 38 ILE HN 31 LEU O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 468, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 33 SER HN 36 MET O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 578, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 36 MET HN 33 SER O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 494, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 66 LEU HN 3 VAL O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1034,  32, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 22 ILE HN 46 GLY O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 725, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 46 GLY HN 22 ILE O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 328, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 67 GLU- HN 50 GLU- O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1053, 797, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 50 GLU- HN 67 GLU- O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 784,1066, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 10 ASN HN 32 GLU- O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 483, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 32 GLU- HN 10 ASN O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 470, 127, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 9 GLY HN 59 VAL O      2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 949, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 59 VAL HN 9 GLY O     2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 113, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
# 1153 atoms read from pdb file prm1.pdb.
# 3 VAL PHI:  (2 THR C)-(3 VAL N)-(3 VAL CA)-(3 VAL C) -150.0 -70.0
 &rst     iat =    15,    17,    19,    31,
   r1 = -151.0, r2 = -150.0, r3 = -70.0, r4 = -69.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 4 SER PHI:  (3 VAL C)-(4 SER N)-(4 SER CA)-(4 SER C) -179.0 -99.0
 &rst     iat =    31,    33,    35,    42,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 5 ILE PHI:  (4 SER C)-(5 ILE N)-(5 ILE CA)-(5 ILE C) -140.0 -60.0
 &rst     iat =    42,    44,    46,    61,
   r1 = -141.0, r2 = -140.0, r3 = -60.0, r4 = -59.0,
 &end

# 6 GLN PHI:  (5 ILE C)-(6 GLN N)-(6 GLN CA)-(6 GLN C) -160.0 -80.0
 &rst     iat =    61,    63,    65,    78,
   r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
 &end

# 7 MET PHI:  (6 GLN C)-(7 MET N)-(7 MET CA)-(7 MET C) -154.0 -94.0
 &rst     iat =    78,    80,    82,    95,
   r1 = -155.0, r2 = -154.0, r3 = -94.0, r4 = -93.0,
 &end

# 10 ASN PHI:  (9 GLY C)-(10 ASN N)-(10 ASN CA)-(10 ASN C) -150.0 -70.0
 &rst     iat =   112,   114,   116,   126,
   r1 = -151.0, r2 = -150.0, r3 = -70.0, r4 = -69.0,
 &end

# 13 LYS PHI:  (12 TRP C)-(13 LYS N)-(13 LYS CA)-(13 LYS C) -179.0 -99.0
 &rst     iat =   169,   171,   173,   191,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 14 VAL PHI:  (13 LYS C)-(14 VAL N)-(14 VAL CA)-(14 VAL C) -169.0 -109.0
 &rst     iat =   191,   193,   195,   207,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 17 LYS PHI:  (16 VAL C)-(17 LYS N)-(17 LYS CA)-(17 LYS C) -151.0 -71.0
 &rst     iat =   240,   242,   244,   262,
   r1 = -152.0, r2 = -151.0, r3 = -71.0, r4 = -70.0,
 &end

# 21 GLN PHI:  (20 ASP C)-(21 GLN N)-(21 GLN CA)-(21 GLN C) -146.0 -66.0
 &rst     iat =   291,   293,   295,   308,
   r1 = -147.0, r2 = -146.0, r3 = -66.0, r4 = -65.0,
 &end

# 22 ILE PHI:  (21 GLN C)-(22 ILE N)-(22 ILE CA)-(22 ILE C) -169.0 -109.0
 &rst     iat =   308,   310,   312,   327,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 23 GLU PHI:  (22 ILE C)-(23 GLU N)-(23 GLU CA)-(23 GLU C) -179.0 -99.0
 &rst     iat =   327,   329,   331,   342,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 29 ALA PHI:  (28 VAL C)-(29 ALA N)-(29 ALA CA)-(29 ALA C) -179.0 -99.0
 &rst     iat =   419,   421,   423,   429,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 30 ILE PHI:  (29 ALA C)-(30 ILE N)-(30 ILE CA)-(30 ILE C) -169.0 -109.0
 &rst     iat =   429,   431,   433,   448,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 31 LEU PHI:  (30 ILE C)-(31 LEU N)-(31 LEU CA)-(31 LEU C) -150.0 -90.0
 &rst     iat =   448,   450,   452,   467,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 32 GLU PHI:  (31 LEU C)-(32 GLU N)-(32 GLU CA)-(32 GLU C) -138.0 -68.0
 &rst     iat =   467,   469,   471,   482,
   r1 = -139.0, r2 = -138.0, r3 = -68.0, r4 = -67.0,
 &end

# 33 SER PHI:  (32 GLU C)-(33 SER N)-(33 SER CA)-(33 SER C) -169.0 -109.0
 &rst     iat =   482,   484,   486,   493,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 38 ILE PHI:  (37 GLU C)-(38 ILE N)-(38 ILE CA)-(38 ILE C) -179.0 -99.0
 &rst     iat =   592,   594,   596,   611,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 40 ILE PHI:  (39 PRO C)-(40 ILE N)-(40 ILE CA)-(40 ILE C) -169.0 -109.0
 &rst     iat =   625,   627,   629,   644,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 41 VAL PHI:  (40 ILE C)-(41 VAL N)-(41 VAL CA)-(41 VAL C) -140.0  80.0
 &rst     iat =   644,   646,   648,   660,
   r1 = -141.0, r2 = -140.0, r3 =  80.0, r4 =  81.0,
 &end

# 42 ALA PHI:  (41 VAL C)-(42 ALA N)-(42 ALA CA)-(42 ALA C) -143.0 -63.0
 &rst     iat =   660,   662,   664,   670,
   r1 = -144.0, r2 = -143.0, r3 = -63.0, r4 = -62.0,
 &end

# 44 ARG PHI:  (43 ASP C)-(44 ARG N)-(44 ARG CA)-(44 ARG C) -157.0 -97.0
 &rst     iat =   682,   684,   686,   706,
   r1 = -158.0, r2 = -157.0, r3 = -97.0, r4 = -96.0,
 &end

# 47 ILE PHI:  (46 GLY C)-(47 ILE N)-(47 ILE CA)-(47 ILE C) -144.0 -84.0
 &rst     iat =   724,   726,   728,   743,
   r1 = -145.0, r2 = -144.0, r3 = -84.0, r4 = -83.0,
 &end

# 48 VAL PHI:  (47 ILE C)-(48 VAL N)-(48 VAL CA)-(48 VAL C) -119.0 -59.0
 &rst     iat =   743,   745,   747,   759,
   r1 = -120.0, r2 = -119.0, r3 = -59.0, r4 = -58.0,
 &end

# 49 LYS PHI:  (48 VAL C)-(49 LYS N)-(49 LYS CA)-(49 LYS C) -132.0 -72.0
 &rst     iat =   759,   761,   763,   781,
   r1 = -133.0, r2 = -132.0, r3 = -72.0, r4 = -71.0,
 &end

# 51 VAL PHI:  (50 GLU C)-(51 VAL N)-(51 VAL CA)-(51 VAL C) -142.0 -82.0
 &rst     iat =   796,   798,   800,   812,
   r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
 &end

# 53 LYS PHI:  (52 LYS C)-(53 LYS N)-(53 LYS CA)-(53 LYS C) -170.0 -110.0
 &rst     iat =   834,   836,   838,   856,
   r1 = -171.0, r2 = -170.0, r3 = -110.0, r4 = -109.0,
 &end

# 54 LYS PHI:  (53 LYS C)-(54 LYS N)-(54 LYS CA)-(54 LYS C) -161.0 -81.0
 &rst     iat =   856,   858,   860,   878,
   r1 = -162.0, r2 = -161.0, r3 = -81.0, r4 = -80.0,
 &end

# 58 PHE PHI:  (57 ASP C)-(58 PHE N)-(58 PHE CA)-(58 PHE C) -127.0 -67.0
 &rst     iat =   912,   914,   916,   932,
   r1 = -128.0, r2 = -127.0, r3 = -67.0, r4 = -66.0,
 &end

# 59 VAL PHI:  (58 PHE C)-(59 VAL N)-(59 VAL CA)-(59 VAL C) -167.0 -87.0
 &rst     iat =   932,   934,   936,   948,
   r1 = -168.0, r2 = -167.0, r3 = -87.0, r4 = -86.0,
 &end

# 60 ASN PHI:  (59 VAL C)-(60 ASN N)-(60 ASN CA)-(60 ASN C) -149.0 -69.0
 &rst     iat =   948,   950,   952,   962,
   r1 = -150.0, r2 = -149.0, r3 = -69.0, r4 = -68.0,
 &end

# 65 LEU PHI:  (64 VAL C)-(65 LEU N)-(65 LEU CA)-(65 LEU C) -135.0 -55.0
 &rst     iat =  1012,  1014,  1016,  1031,
   r1 = -136.0, r2 = -135.0, r3 = -55.0, r4 = -54.0,
 &end

# 66 LEU PHI:  (65 LEU C)-(66 LEU N)-(66 LEU CA)-(66 LEU C) -169.0 -109.0
 &rst     iat =  1031,  1033,  1035,  1050,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 67 GLU PHI:  (66 LEU C)-(67 GLU N)-(67 GLU CA)-(67 GLU C) -169.0 -109.0
 &rst     iat =  1050,  1052,  1054,  1065,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 68 LEU PHI:  (67 GLU C)-(68 LEU N)-(68 LEU CA)-(68 LEU C) -169.0 -109.0
 &rst     iat =  1065,  1067,  1069,  1084,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 3 VAL PSI:  (3 VAL N)-(3 VAL CA)-(3 VAL C)-(4 SER N) 105.0 165.0
 &rst     iat =    17,    19,    31,    33,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 4 SER PSI:  (4 SER N)-(4 SER CA)-(4 SER C)-(5 ILE N) 105.0 165.0
 &rst     iat =    33,    35,    42,    44,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 5 ILE PSI:  (5 ILE N)-(5 ILE CA)-(5 ILE C)-(6 GLN N) 105.0 165.0
 &rst     iat =    44,    46,    61,    63,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 7 MET PSI:  (7 MET N)-(7 MET CA)-(7 MET C)-(8 ALA N) 120.0 180.0
 &rst     iat =    80,    82,    95,    97,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end

# 10 ASN PSI:  (10 ASN N)-(10 ASN CA)-(10 ASN C)-(11 LEU N)  93.0 173.0
 &rst     iat =   114,   116,   126,   128,
   r1 =  92.0, r2 =  93.0, r3 = 173.0, r4 = 174.0,
 &end

# 13 LYS PSI:  (13 LYS N)-(13 LYS CA)-(13 LYS C)-(14 VAL N)  95.0 175.0
 &rst     iat =   171,   173,   191,   193,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 14 VAL PSI:  (14 VAL N)-(14 VAL CA)-(14 VAL C)-(15 HID N) 105.0 165.0
 &rst     iat =   193,   195,   207,   209,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 17 LYS PSI:  (17 LYS N)-(17 LYS CA)-(17 LYS C)-(18 ALA N) 120.0 180.0
 &rst     iat =   242,   244,   262,   264,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end

# 21 GLN PSI:  (21 GLN N)-(21 GLN CA)-(21 GLN C)-(22 ILE N) 105.0 155.0
 &rst     iat =   293,   295,   308,   310,
   r1 = 104.0, r2 = 105.0, r3 = 155.0, r4 = 156.0,
 &end

# 22 ILE PSI:  (22 ILE N)-(22 ILE CA)-(22 ILE C)-(23 GLU N)  95.0 175.0
 &rst     iat =   310,   312,   327,   329,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 23 GLU PSI:  (23 GLU N)-(23 GLU CA)-(23 GLU C)-(24 LYS N) 105.0 165.0
 &rst     iat =   329,   331,   342,   344,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 26 GLN PSI:  (26 GLN N)-(26 GLN CA)-(26 GLN C)-(27 GLU N) 110.0 170.0
 &rst     iat =   373,   375,   388,   390,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end

# 27 GLU PSI:  (27 GLU N)-(27 GLU CA)-(27 GLU C)-(28 VAL N) 107.0 167.0
 &rst     iat =   390,   392,   403,   405,
   r1 = 106.0, r2 = 107.0, r3 = 167.0, r4 = 168.0,
 &end

# 29 ALA PSI:  (29 ALA N)-(29 ALA CA)-(29 ALA C)-(30 ILE N)  95.0 175.0
 &rst     iat =   421,   423,   429,   431,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 30 ILE PSI:  (30 ILE N)-(30 ILE CA)-(30 ILE C)-(31 LEU N) 105.0 165.0
 &rst     iat =   431,   433,   448,   450,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 31 LEU PSI:  (31 LEU N)-(31 LEU CA)-(31 LEU C)-(32 GLU N) 105.0 165.0
 &rst     iat =   450,   452,   467,   469,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 32 GLU PSI:  (32 GLU N)-(32 GLU CA)-(32 GLU C)-(33 SER N) 105.0 165.0
 &rst     iat =   469,   471,   482,   484,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 33 SER PSI:  (33 SER N)-(33 SER CA)-(33 SER C)-(34 MET N)  83.0 163.0
 &rst     iat =   484,   486,   493,   495,
   r1 =  82.0, r2 =  83.0, r3 = 163.0, r4 = 164.0,
 &end

# 38 ILE PSI:  (38 ILE N)-(38 ILE CA)-(38 ILE C)-(39 PRO N)  95.0 175.0
 &rst     iat =   594,   596,   611,   613,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 39 PRO PSI:  (39 PRO N)-(39 PRO CA)-(39 PRO C)-(40 ILE N) 105.0 165.0
 &rst     iat =   613,   623,   625,   627,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 40 ILE PSI:  (40 ILE N)-(40 ILE CA)-(40 ILE C)-(41 VAL N)  95.0 175.0
 &rst     iat =   627,   629,   644,   646,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 41 VAL PSI:  (41 VAL N)-(41 VAL CA)-(41 VAL C)-(42 ALA N) 116.0 176.0
 &rst     iat =   646,   648,   660,   662,
   r1 = 115.0, r2 = 116.0, r3 = 176.0, r4 = 177.0,
 &end

# 42 ALA PSI:  (42 ALA N)-(42 ALA CA)-(42 ALA C)-(43 ASP N) 105.0 165.0
 &rst     iat =   662,   664,   670,   672,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 44 ARG PSI:  (44 ARG N)-(44 ARG CA)-(44 ARG C)-(45 SER N) 120.0 180.0
 &rst     iat =   684,   686,   706,   708,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end

# 47 ILE PSI:  (47 ILE N)-(47 ILE CA)-(47 ILE C)-(48 VAL N) 101.0 161.0
 &rst     iat =   726,   728,   743,   745,
   r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0,
 &end

# 48 VAL PSI:  (48 VAL N)-(48 VAL CA)-(48 VAL C)-(49 LYS N)  89.0 169.0
 &rst     iat =   745,   747,   759,   761,
   r1 =  88.0, r2 =  89.0, r3 = 169.0, r4 = 170.0,
 &end

# 49 LYS PSI:  (49 LYS N)-(49 LYS CA)-(49 LYS C)-(50 GLU N) -60.0   0.0
 &rst     iat =   761,   763,   781,   783,
   r1 = -61.0, r2 = -60.0, r3 =   0.0, r4 =   1.0,
 &end

# 51 VAL PSI:  (51 VAL N)-(51 VAL CA)-(51 VAL C)-(52 LYS N)  89.0 149.0
 &rst     iat =   798,   800,   812,   814,
   r1 =  88.0, r2 =  89.0, r3 = 149.0, r4 = 150.0,
 &end

# 53 LYS PSI:  (53 LYS N)-(53 LYS CA)-(53 LYS C)-(54 LYS N) 120.0 180.0
 &rst     iat =   836,   838,   856,   858,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end

# 54 LYS PSI:  (54 LYS N)-(54 LYS CA)-(54 LYS C)-(55 GLU N) 120.0 180.0
 &rst     iat =   858,   860,   878,   880,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end

# 58 PHE PSI:  (58 PHE N)-(58 PHE CA)-(58 PHE C)-(59 VAL N) 105.0 165.0
 &rst     iat =   914,   916,   932,   934,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 59 VAL PSI:  (59 VAL N)-(59 VAL CA)-(59 VAL C)-(60 ASN N) 108.0 168.0
 &rst     iat =   934,   936,   948,   950,
   r1 = 107.0, r2 = 108.0, r3 = 168.0, r4 = 169.0,
 &end

# 60 ASN PSI:  (60 ASN N)-(60 ASN CA)-(60 ASN C)-(61 GLU N) 118.0 178.0
 &rst     iat =   950,   952,   962,   964,
   r1 = 117.0, r2 = 118.0, r3 = 178.0, r4 = 179.0,
 &end

# 65 LEU PSI:  (65 LEU N)-(65 LEU CA)-(65 LEU C)-(66 LEU N) -50.0  10.0
 &rst     iat =  1014,  1016,  1031,  1033,
   r1 = -51.0, r2 = -50.0, r3 =  10.0, r4 =  11.0,
 &end

# 66 LEU PSI:  (66 LEU N)-(66 LEU CA)-(66 LEU C)-(67 GLU N) 105.0 165.0
 &rst     iat =  1033,  1035,  1050,  1052,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 67 GLU PSI:  (67 GLU N)-(67 GLU CA)-(67 GLU C)-(68 LEU N) 105.0 165.0
 &rst     iat =  1052,  1054,  1065,  1067,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 68 LEU PSI:  (68 LEU N)-(68 LEU CA)-(68 LEU C)-(69 SER N)  95.0 175.0
 &rst     iat =  1067,  1069,  1084,  1086,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 3 VAL CHI1:  (3 VAL N)-(3 VAL CA)-(3 VAL CB)-(3 VAL CG1) 150.0 210.0
 &rst     iat =    17,    19,    21,    23,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 4 SER CHI1:  (4 SER N)-(4 SER CA)-(4 SER CB)-(4 SER OG) -90.0 -30.0
 &rst     iat =    33,    35,    37,    40,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 5 ILE CHI1:  (5 ILE N)-(5 ILE CA)-(5 ILE CB)-(5 ILE CG1) -90.0 -30.0
 &rst     iat =    44,    46,    48,    54,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 6 GLN CHI1:  (6 GLN N)-(6 GLN CA)-(6 GLN CB)-(6 GLN CG)  30.0  90.0
 &rst     iat =    63,    65,    67,    70,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 10 ASN CHI1:  (10 ASN N)-(10 ASN CA)-(10 ASN CB)-(10 ASN CG) -90.0 -30.0
 &rst     iat =   114,   116,   118,   121,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 12 TRP CHI1:  (12 TRP N)-(12 TRP CA)-(12 TRP CB)-(12 TRP CG) 150.0 210.0
 &rst     iat =   147,   149,   151,   154,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 13 LYS CHI1:  (13 LYS N)-(13 LYS CA)-(13 LYS CB)-(13 LYS CG) -90.0 -30.0
 &rst     iat =   171,   173,   175,   178,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 14 VAL CHI1:  (14 VAL N)-(14 VAL CA)-(14 VAL CB)-(14 VAL CG1) 150.0 210.0
 &rst     iat =   193,   195,   197,   199,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 15 HIS CHI1:  (15 HID N)-(15 HID CA)-(15 HID CB)-(15 HID CG) -90.0 -30.0
 &rst     iat =   209,   211,   213,   216,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 16 VAL CHI1:  (16 VAL N)-(16 VAL CA)-(16 VAL CB)-(16 VAL CG1) -90.0 -30.0
 &rst     iat =   226,   228,   230,   232,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 20 ASP CHI1:  (20 ASP N)-(20 ASP CA)-(20 ASP CB)-(20 ASP CG) 150.0 210.0
 &rst     iat =   281,   283,   285,   288,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 21 GLN CHI1:  (21 GLN N)-(21 GLN CA)-(21 GLN CB)-(21 GLN CG) 150.0 210.0
 &rst     iat =   293,   295,   297,   300,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 22 ILE CHI1:  (22 ILE N)-(22 ILE CA)-(22 ILE CB)-(22 ILE CG1)  30.0  90.0
 &rst     iat =   310,   312,   314,   320,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 23 GLU CHI1:  (23 GLU N)-(23 GLU CA)-(23 GLU CB)-(23 GLU CG) 150.0 210.0
 &rst     iat =   329,   331,   333,   336,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 24 LYS CHI1:  (24 LYS N)-(24 LYS CA)-(24 LYS CB)-(24 LYS CG) 150.0 210.0
 &rst     iat =   344,   346,   348,   351,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 26 GLN CHI1:  (26 GLN N)-(26 GLN CA)-(26 GLN CB)-(26 GLN CG) 150.0 210.0
 &rst     iat =   373,   375,   377,   380,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 27 GLU CHI1:  (27 GLU N)-(27 GLU CA)-(27 GLU CB)-(27 GLU CG) 150.0 210.0
 &rst     iat =   390,   392,   394,   397,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 28 VAL CHI1:  (28 VAL N)-(28 VAL CA)-(28 VAL CB)-(28 VAL CG1) -90.0 -30.0
 &rst     iat =   405,   407,   409,   411,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 30 ILE CHI1:  (30 ILE N)-(30 ILE CA)-(30 ILE CB)-(30 ILE CG1) -90.0 -30.0
 &rst     iat =   431,   433,   435,   441,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 32 GLU CHI1:  (32 GLU N)-(32 GLU CA)-(32 GLU CB)-(32 GLU CG) 150.0 210.0
 &rst     iat =   469,   471,   473,   476,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 34 MET CHI1:  (34 MET N)-(34 MET CA)-(34 MET CB)-(34 MET CG) -90.0 -30.0
 &rst     iat =   495,   497,   499,   502,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 36 MET CHI1:  (36 MET N)-(36 MET CA)-(36 MET CB)-(36 MET CG) -90.0 -30.0
 &rst     iat =   562,   564,   566,   569,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 38 ILE CHI1:  (38 ILE N)-(38 ILE CA)-(38 ILE CB)-(38 ILE CG1) -90.0 -30.0
 &rst     iat =   594,   596,   598,   604,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 40 ILE CHI1:  (40 ILE N)-(40 ILE CA)-(40 ILE CB)-(40 ILE CG1) -90.0 -30.0
 &rst     iat =   627,   629,   631,   637,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 41 VAL CHI1:  (41 VAL N)-(41 VAL CA)-(41 VAL CB)-(41 VAL CG1) -90.0 -30.0
 &rst     iat =   646,   648,   650,   652,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 43 ASP CHI1:  (43 ASP N)-(43 ASP CA)-(43 ASP CB)-(43 ASP CG) 150.0 210.0
 &rst     iat =   672,   674,   676,   679,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 45 SER CHI1:  (45 SER N)-(45 SER CA)-(45 SER CB)-(45 SER OG) -90.0 -30.0
 &rst     iat =   708,   710,   712,   715,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 47 ILE CHI1:  (47 ILE N)-(47 ILE CA)-(47 ILE CB)-(47 ILE CG1) -90.0 -30.0
 &rst     iat =   726,   728,   730,   736,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 48 VAL CHI1:  (48 VAL N)-(48 VAL CA)-(48 VAL CB)-(48 VAL CG1) 150.0 210.0
 &rst     iat =   745,   747,   749,   751,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 49 LYS CHI1:  (49 LYS N)-(49 LYS CA)-(49 LYS CB)-(49 LYS CG) 150.0 210.0
 &rst     iat =   761,   763,   765,   768,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 50 GLU CHI1:  (50 GLU N)-(50 GLU CA)-(50 GLU CB)-(50 GLU CG) 150.0 210.0
 &rst     iat =   783,   785,   787,   790,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 51 VAL CHI1:  (51 VAL N)-(51 VAL CA)-(51 VAL CB)-(51 VAL CG1) 150.0 210.0
 &rst     iat =   798,   800,   802,   804,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 52 LYS CHI1:  (52 LYS N)-(52 LYS CA)-(52 LYS CB)-(52 LYS CG) -90.0 -30.0
 &rst     iat =   814,   816,   818,   821,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 53 LYS CHI1:  (53 LYS N)-(53 LYS CA)-(53 LYS CB)-(53 LYS CG) -90.0 -30.0
 &rst     iat =   836,   838,   840,   843,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 54 LYS CHI1:  (54 LYS N)-(54 LYS CA)-(54 LYS CB)-(54 LYS CG)  30.0  90.0
 &rst     iat =   858,   860,   862,   865,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 57 ASP CHI1:  (57 ASP N)-(57 ASP CA)-(57 ASP CB)-(57 ASP CG) 150.0 210.0
 &rst     iat =   902,   904,   906,   909,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 58 PHE CHI1:  (58 PHE N)-(58 PHE CA)-(58 PHE CB)-(58 PHE CG) 150.0 210.0
 &rst     iat =   914,   916,   918,   921,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 59 VAL CHI1:  (59 VAL N)-(59 VAL CA)-(59 VAL CB)-(59 VAL CG1) -90.0 -30.0
 &rst     iat =   934,   936,   938,   940,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 61 GLU CHI1:  (61 GLU N)-(61 GLU CA)-(61 GLU CB)-(61 GLU CG) 150.0 210.0
 &rst     iat =   964,   966,   968,   971,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 63 ASP CHI1:  (63 ASP N)-(63 ASP CA)-(63 ASP CB)-(63 ASP CG) 150.0 210.0
 &rst     iat =   986,   988,   990,   993,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 64 VAL CHI1:  (64 VAL N)-(64 VAL CA)-(64 VAL CB)-(64 VAL CG1) -90.0 -30.0
 &rst     iat =   998,  1000,  1002,  1004,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 65 LEU CHI1:  (65 LEU N)-(65 LEU CA)-(65 LEU CB)-(65 LEU CG) 150.0 210.0
 &rst     iat =  1014,  1016,  1018,  1021,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 67 GLU CHI1:  (67 GLU N)-(67 GLU CA)-(67 GLU CB)-(67 GLU CG) 150.0 210.0
 &rst     iat =  1052,  1054,  1056,  1059,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 68 LEU CHI1:  (68 LEU N)-(68 LEU CA)-(68 LEU CB)-(68 LEU CG) -90.0 -30.0
 &rst     iat =  1067,  1069,  1071,  1074,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 69 SER CHI1:  (69 SER N)-(69 SER CA)-(69 SER CB)-(69 SER OG) -90.0 -30.0
 &rst     iat =  1086,  1088,  1090,  1093,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end


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